From 7321daf4f6f141efae218a34b2b69c482d1dfeed Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 18 Feb 2022 08:41:34 +0100
Subject: [PATCH 001/789] Update README with approximate pipeline outline

---
 README.md | 20 ++++++++++++++++++--
 1 file changed, 18 insertions(+), 2 deletions(-)

diff --git a/README.md b/README.md
index 8f33f2c..f57666d 100644
--- a/README.md
+++ b/README.md
@@ -17,7 +17,7 @@
 ## Introduction
 
 <!-- TODO nf-core: Write a 1-2 sentence summary of what data the pipeline is for and what it does -->
-**nf-core/taxprofiler** is a bioinformatics best-practice analysis pipeline for Taxonomic profiling of shotgun metagenomic data.
+**nf-core/taxprofiler** is a bioinformatics best-practice analysis pipeline for taxonomic profiling of shotgun metagenomic data. It allows for in-parallel profiling against multiple profiling tools and databases and produces standardised output tables.
 
 The pipeline is built using [Nextflow](https://www.nextflow.io), a workflow tool to run tasks across multiple compute infrastructures in a very portable manner. It uses Docker/Singularity containers making installation trivial and results highly reproducible. The [Nextflow DSL2](https://www.nextflow.io/docs/latest/dsl2.html) implementation of this pipeline uses one container per process which makes it much easier to maintain and update software dependencies. Where possible, these processes have been submitted to and installed from [nf-core/modules](https://github.com/nf-core/modules) in order to make them available to all nf-core pipelines, and to everyone within the Nextflow community!
 
@@ -29,7 +29,23 @@ On release, automated continuous integration tests run the pipeline on a full-si
 <!-- TODO nf-core: Fill in short bullet-pointed list of the default steps in the pipeline -->
 
 1. Read QC ([`FastQC`](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/))
-2. Present QC for raw reads ([`MultiQC`](http://multiqc.info/))
+2. Performs optional read pre-processing
+   - Adapter clipping and merging
+   - Low complexity filtering
+   - Host read removal
+   - Run merging
+3. Performs taxonomic profiling a choice of:
+   - Kraken2
+   - MetaPhlAn3
+   - MALT
+   - DIAMOND
+   - Centrifuge
+   - Kaiju
+   - mOTUs
+4.  Perform optional post-processing with:
+    -  bracken
+5.  Standardises output tables
+6. Present QC for raw reads ([`MultiQC`](http://multiqc.info/))
 
 ## Quick Start
 

From c68afbbf90c98e87716dc526d6c5a9631a341201 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Fri, 18 Feb 2022 08:45:06 +0100
Subject: [PATCH 002/789] Update nextflow.config

---
 nextflow.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/nextflow.config b/nextflow.config
index c2d51b5..186979c 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -121,7 +121,7 @@ if (!params.igenomes_ignore) {
 }
 
 // Export these variables to prevent local Python/R libraries from conflicting with those in the container
-// The JULIA depot path has been adjusted to a fixed path `/usr/local/share/julia` that needs to be used for packages in the container. 
+// The JULIA depot path has been adjusted to a fixed path `/usr/local/share/julia` that needs to be used for packages in the container.
 // See https://apeltzer.github.io/post/03-julia-lang-nextflow/ for details on that. Once we have a common agreement on where to keep Julia packages, this is adjustable.
 
 env {

From f867c057a4e1f0c7f4fc23db44356ee120de261f Mon Sep 17 00:00:00 2001
From: maxibor <maxime.borry@gmail.com>
Date: Fri, 18 Feb 2022 11:53:13 +0100
Subject: [PATCH 003/789] add more columns to samplesheet

---
 bin/check_samplesheet.py | 138 +++++++++++++++++++++++++++++++++------
 1 file changed, 118 insertions(+), 20 deletions(-)

diff --git a/bin/check_samplesheet.py b/bin/check_samplesheet.py
index 41dd9aa..eb6a7dc 100755
--- a/bin/check_samplesheet.py
+++ b/bin/check_samplesheet.py
@@ -3,6 +3,7 @@
 # TODO nf-core: Update the script to check the samplesheet
 # This script is based on the example at: https://raw.githubusercontent.com/nf-core/test-datasets/viralrecon/samplesheet/samplesheet_test_illumina_amplicon.csv
 
+from distutils import extension
 import os
 import sys
 import errno
@@ -10,7 +11,9 @@ import argparse
 
 
 def parse_args(args=None):
-    Description = "Reformat nf-core/taxprofiler samplesheet file and check its contents."
+    Description = (
+        "Reformat nf-core/taxprofiler samplesheet file and check its contents."
+    )
     Epilog = "Example usage: python check_samplesheet.py <FILE_IN> <FILE_OUT>"
 
     parser = argparse.ArgumentParser(description=Description, epilog=Epilog)
@@ -43,25 +46,62 @@ def check_samplesheet(file_in, file_out):
     """
     This function checks that the samplesheet follows the following structure:
 
-    sample,fastq_1,fastq_2
-    SAMPLE_PE,SAMPLE_PE_RUN1_1.fastq.gz,SAMPLE_PE_RUN1_2.fastq.gz
-    SAMPLE_PE,SAMPLE_PE_RUN2_1.fastq.gz,SAMPLE_PE_RUN2_2.fastq.gz
-    SAMPLE_SE,SAMPLE_SE_RUN1_1.fastq.gz,
+    sample,run_accession,instrument_platform,fastq_1,fastq_2,fasta
+    2611,ERR5766174,ILLUMINA,NA,NA,FA_EXTENSIONSERX5474930_ERR5766174_1.fa.gz
+    2612,ERR5766176,ILLUMINA,ERX5474932_ERR5766176_1.fastq.gz,ERX5474932_ERR5766176_2.fastq.gz,NA
+    2612,ERR5766174,ILLUMINA,ERX5474936_ERR5766180_1.fastq.gz,NA,NA
+    2613,ERR5766181,ILLUMINA,ERX5474930_ERR5766174_1.fa.gz,ERX5474930_ERR5766174_2.fa.gz,NA
 
     For an example see:
     https://raw.githubusercontent.com/nf-core/test-datasets/viralrecon/samplesheet/samplesheet_test_illumina_amplicon.csv
     """
 
+    FQ_EXTENSIONS = (".fq", ".fq.gz", ".fastq", ".fastq.gz")
+    FA_EXTENSIONS = (
+        ".fa",
+        ".fa.gz",
+        ".fasta",
+        ".fasta.gz",
+        ".fna",
+        ".fna.gz",
+        ".fas",
+        ".fas.gz",
+    )
+    INSTRUMENT_PLATFORMS = [
+        "ABI_SOLID",
+        "BGISEQ",
+        "CAPILLARY",
+        "COMPLETE_GENOMICS",
+        "DNBSEQ",
+        "HELICOS",
+        "ILLUMINA",
+        "ION_TORRENT",
+        "LS454",
+        "OXFORD_NANOPORE",
+        "PACBIO_SMRT",
+    ]
+
     sample_mapping_dict = {}
     with open(file_in, "r") as fin:
 
         ## Check header
-        MIN_COLS = 2
+        MIN_COLS = 4
         # TODO nf-core: Update the column names for the input samplesheet
-        HEADER = ["sample", "fastq_1", "fastq_2"]
+        HEADER = [
+            "sample",
+            "run_accession",
+            "instrument_platform",
+            "fastq_1",
+            "fastq_2",
+            "fasta",
+        ]
         header = [x.strip('"') for x in fin.readline().strip().split(",")]
         if header[: len(HEADER)] != HEADER:
-            print("ERROR: Please check samplesheet header -> {} != {}".format(",".join(header), ",".join(HEADER)))
+            print(
+                "ERROR: Please check samplesheet header -> {} != {}".format(
+                    ",".join(header), ",".join(HEADER)
+                )
+            )
             sys.exit(1)
 
         ## Check sample entries
@@ -78,13 +118,22 @@ def check_samplesheet(file_in, file_out):
             num_cols = len([x for x in lspl if x])
             if num_cols < MIN_COLS:
                 print_error(
-                    "Invalid number of populated columns (minimum = {})!".format(MIN_COLS),
+                    "Invalid number of populated columns (minimum = {})!".format(
+                        MIN_COLS
+                    ),
                     "Line",
                     line,
                 )
 
             ## Check sample name entries
-            sample, fastq_1, fastq_2 = lspl[: len(HEADER)]
+            (
+                sample,
+                run_accession,
+                instrument_platform,
+                fastq_1,
+                fastq_2,
+                fasta,
+            ) = lspl[: len(HEADER)]
             sample = sample.replace(" ", "_")
             if not sample:
                 print_error("Sample entry has not been specified!", "Line", line)
@@ -94,23 +143,55 @@ def check_samplesheet(file_in, file_out):
                 if fastq:
                     if fastq.find(" ") != -1:
                         print_error("FastQ file contains spaces!", "Line", line)
-                    if not fastq.endswith(".fastq.gz") and not fastq.endswith(".fq.gz"):
+                    if not fastq.endswith(FQ_EXTENSIONS):
                         print_error(
-                            "FastQ file does not have extension '.fastq.gz' or '.fq.gz'!",
+                            f"FastQ file does not have extension {' or '.join(list(FQ_EXTENSIONS))} !",
                             "Line",
                             line,
                         )
+            if fasta:
+                if fasta.find(" ") != -1:
+                    print_error("FastA file contains spaces!", "Line", line)
+                if not fasta.endswith(FA_EXTENSIONS):
+                    print_error(
+                        f"FastA file does not have extension {' or '.join(list(FA_EXTENSIONS))}!",
+                        "Line",
+                        line,
+                    )
+            sample_info = []
+
+            # Check run_accession
+            if not run_accession:
+                print_error("Run accession has not been specified!", "Line", line)
+            else:
+                sample_info.append(run_accession)
+
+            # Check instrument_platform
+            if not instrument_platform:
+                print_error("Instrument platform has not been specified!", "Line", line)
+            else:
+                if instrument_platform not in INSTRUMENT_PLATFORMS:
+                    print_error(
+                        f"Instrument platform {instrument_platform} is not supported!",
+                        f"List of supported platforms {', '.join(INSTRUMENT_PLATFORMS)}",
+                        "Line",
+                        line,
+                    )
+                sample_info.append(instrument_platform)
 
             ## Auto-detect paired-end/single-end
-            sample_info = []  ## [single_end, fastq_1, fastq_2]
             if sample and fastq_1 and fastq_2:  ## Paired-end short reads
-                sample_info = ["0", fastq_1, fastq_2]
+                sample_info.extend(["0", fastq_1, fastq_2, fasta])
             elif sample and fastq_1 and not fastq_2:  ## Single-end short reads
-                sample_info = ["1", fastq_1, fastq_2]
+                sample_info.extend(["1", fastq_1, fastq_2, fasta])
+            elif (
+                sample and fasta and not fastq_1 and not fastq_2
+            ):  ## Single-end long reads
+                sample_info.extend(["1", fastq_1, fastq_2, fasta])
             else:
                 print_error("Invalid combination of columns provided!", "Line", line)
 
-            ## Create sample mapping dictionary = { sample: [ single_end, fastq_1, fastq_2 ] }
+            ## Create sample mapping dictionary = { sample: [ single_end, fastq_1, fastq_2 , fasta, run_accession, instrument_platform] }
             if sample not in sample_mapping_dict:
                 sample_mapping_dict[sample] = [sample_info]
             else:
@@ -120,19 +201,36 @@ def check_samplesheet(file_in, file_out):
                     sample_mapping_dict[sample].append(sample_info)
 
     ## Write validated samplesheet with appropriate columns
+    HEADER_OUT = [
+        "sample",
+        "run_accession",
+        "instrument_platform",
+        "single_end",
+        "fastq_1",
+        "fastq_2",
+        "fasta",
+    ]
     if len(sample_mapping_dict) > 0:
         out_dir = os.path.dirname(file_out)
         make_dir(out_dir)
         with open(file_out, "w") as fout:
-            fout.write(",".join(["sample", "single_end", "fastq_1", "fastq_2"]) + "\n")
+            fout.write(",".join(HEADER_OUT) + "\n")
             for sample in sorted(sample_mapping_dict.keys()):
 
                 ## Check that multiple runs of the same sample are of the same datatype
-                if not all(x[0] == sample_mapping_dict[sample][0][0] for x in sample_mapping_dict[sample]):
-                    print_error("Multiple runs of a sample must be of the same datatype!", "Sample: {}".format(sample))
+                if not all(
+                    x[0] == sample_mapping_dict[sample][0][0]
+                    for x in sample_mapping_dict[sample]
+                ):
+                    print_error(
+                        "Multiple runs of a sample must be of the same datatype!",
+                        "Sample: {}".format(sample),
+                    )
 
                 for idx, val in enumerate(sample_mapping_dict[sample]):
-                    fout.write(",".join(["{}_T{}".format(sample, idx + 1)] + val) + "\n")
+                    fout.write(
+                        ",".join(["{}_T{}".format(sample, idx + 1)] + val) + "\n"
+                    )
     else:
         print_error("No entries to process!", "Samplesheet: {}".format(file_in))
 

From 54a1a4fd459afa7e9987c72e5e1d4b7ac67683d0 Mon Sep 17 00:00:00 2001
From: maxibor <maxime.borry@gmail.com>
Date: Fri, 18 Feb 2022 13:11:18 +0100
Subject: [PATCH 004/789] update samplesheet specs

---
 bin/check_samplesheet.py | 27 ++++++---------------------
 1 file changed, 6 insertions(+), 21 deletions(-)

diff --git a/bin/check_samplesheet.py b/bin/check_samplesheet.py
index eb6a7dc..77a5107 100755
--- a/bin/check_samplesheet.py
+++ b/bin/check_samplesheet.py
@@ -47,13 +47,10 @@ def check_samplesheet(file_in, file_out):
     This function checks that the samplesheet follows the following structure:
 
     sample,run_accession,instrument_platform,fastq_1,fastq_2,fasta
-    2611,ERR5766174,ILLUMINA,NA,NA,FA_EXTENSIONSERX5474930_ERR5766174_1.fa.gz
-    2612,ERR5766176,ILLUMINA,ERX5474932_ERR5766176_1.fastq.gz,ERX5474932_ERR5766176_2.fastq.gz,NA
-    2612,ERR5766174,ILLUMINA,ERX5474936_ERR5766180_1.fastq.gz,NA,NA
-    2613,ERR5766181,ILLUMINA,ERX5474930_ERR5766174_1.fa.gz,ERX5474930_ERR5766174_2.fa.gz,NA
-
-    For an example see:
-    https://raw.githubusercontent.com/nf-core/test-datasets/viralrecon/samplesheet/samplesheet_test_illumina_amplicon.csv
+    2611,ERR5766174,ILLUMINA,,,ERX5474930_ERR5766174_1.fa.gz
+    2612,ERR5766176,ILLUMINA,ERX5474932_ERR5766176_1.fastq.gz,ERX5474932_ERR5766176_2.fastq.gz,
+    2612,ERR5766174,ILLUMINA,ERX5474936_ERR5766180_1.fastq.gz,,
+    2613,ERR5766181,ILLUMINA,ERX5474937_ERR5766181_1.fastq.gz,ERX5474937_ERR5766181_2.fastq.gz,
     """
 
     FQ_EXTENSIONS = (".fq", ".fq.gz", ".fastq", ".fastq.gz")
@@ -216,21 +213,9 @@ def check_samplesheet(file_in, file_out):
         with open(file_out, "w") as fout:
             fout.write(",".join(HEADER_OUT) + "\n")
             for sample in sorted(sample_mapping_dict.keys()):
-
-                ## Check that multiple runs of the same sample are of the same datatype
-                if not all(
-                    x[0] == sample_mapping_dict[sample][0][0]
-                    for x in sample_mapping_dict[sample]
-                ):
-                    print_error(
-                        "Multiple runs of a sample must be of the same datatype!",
-                        "Sample: {}".format(sample),
-                    )
-
                 for idx, val in enumerate(sample_mapping_dict[sample]):
-                    fout.write(
-                        ",".join(["{}_T{}".format(sample, idx + 1)] + val) + "\n"
-                    )
+                    fout.write(f"{sample},{','.join(val)}\n")
+                    # fout.write(f",".join(["{}".format(sample)] + val) + "\n")
     else:
         print_error("No entries to process!", "Samplesheet: {}".format(file_in))
 

From a6cfa0a1ba3b9c0ad2263d8225bcbc05117f4bc3 Mon Sep 17 00:00:00 2001
From: maxibor <maxime.borry@gmail.com>
Date: Fri, 18 Feb 2022 13:15:30 +0100
Subject: [PATCH 005/789] cleanup

---
 bin/check_samplesheet.py | 7 +------
 1 file changed, 1 insertion(+), 6 deletions(-)

diff --git a/bin/check_samplesheet.py b/bin/check_samplesheet.py
index 77a5107..0f19523 100755
--- a/bin/check_samplesheet.py
+++ b/bin/check_samplesheet.py
@@ -1,8 +1,5 @@
 #!/usr/bin/env python
 
-# TODO nf-core: Update the script to check the samplesheet
-# This script is based on the example at: https://raw.githubusercontent.com/nf-core/test-datasets/viralrecon/samplesheet/samplesheet_test_illumina_amplicon.csv
-
 from distutils import extension
 import os
 import sys
@@ -83,7 +80,6 @@ def check_samplesheet(file_in, file_out):
 
         ## Check header
         MIN_COLS = 4
-        # TODO nf-core: Update the column names for the input samplesheet
         HEADER = [
             "sample",
             "run_accession",
@@ -188,7 +184,7 @@ def check_samplesheet(file_in, file_out):
             else:
                 print_error("Invalid combination of columns provided!", "Line", line)
 
-            ## Create sample mapping dictionary = { sample: [ single_end, fastq_1, fastq_2 , fasta, run_accession, instrument_platform] }
+            ## Create sample mapping dictionary = { sample: [ run_accession, instrument_platform, single_end, fastq_1, fastq_2 , fasta ] }
             if sample not in sample_mapping_dict:
                 sample_mapping_dict[sample] = [sample_info]
             else:
@@ -215,7 +211,6 @@ def check_samplesheet(file_in, file_out):
             for sample in sorted(sample_mapping_dict.keys()):
                 for idx, val in enumerate(sample_mapping_dict[sample]):
                     fout.write(f"{sample},{','.join(val)}\n")
-                    # fout.write(f",".join(["{}".format(sample)] + val) + "\n")
     else:
         print_error("No entries to process!", "Samplesheet: {}".format(file_in))
 

From 1b893cb039fee4544cef4d716668ef62c8551d17 Mon Sep 17 00:00:00 2001
From: maxibor <maxime.borry@gmail.com>
Date: Fri, 18 Feb 2022 13:27:10 +0100
Subject: [PATCH 006/789] add check for fastq with fasta

---
 bin/check_samplesheet.py | 6 ++++++
 1 file changed, 6 insertions(+)

diff --git a/bin/check_samplesheet.py b/bin/check_samplesheet.py
index 0f19523..d6e7123 100755
--- a/bin/check_samplesheet.py
+++ b/bin/check_samplesheet.py
@@ -181,6 +181,12 @@ def check_samplesheet(file_in, file_out):
                 sample and fasta and not fastq_1 and not fastq_2
             ):  ## Single-end long reads
                 sample_info.extend(["1", fastq_1, fastq_2, fasta])
+            elif fasta and (fastq_1 or fastq_2):
+                print_error(
+                    "FastQ and FastA files cannot be specified together in the same library!",
+                    "Line",
+                    line,
+                )
             else:
                 print_error("Invalid combination of columns provided!", "Line", line)
 

From cf55cc592cf41868f8cd480f53116525ab08f960 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 18 Feb 2022 16:51:01 +0100
Subject: [PATCH 007/789] Get skeleton read processing to input for profiling

---
 README.md                                  |  6 +-
 conf/modules.config                        | 39 +++++++++++
 conf/test.config                           |  4 +-
 lib/WorkflowTaxprofiler.groovy             |  9 +--
 modules.json                               |  6 ++
 modules/nf-core/modules/cat/fastq/main.nf  | 51 ++++++++++++++
 modules/nf-core/modules/cat/fastq/meta.yml | 39 +++++++++++
 modules/nf-core/modules/fastp/main.nf      | 75 ++++++++++++++++++++
 modules/nf-core/modules/fastp/meta.yml     | 68 ++++++++++++++++++
 nextflow.config                            |  5 +-
 nextflow_schema.json                       |  9 ---
 subworkflows/local/input_check.nf          | 43 ++++++++++--
 workflows/taxprofiler.nf                   | 80 +++++++++++++++++++++-
 13 files changed, 407 insertions(+), 27 deletions(-)
 create mode 100644 modules/nf-core/modules/cat/fastq/main.nf
 create mode 100644 modules/nf-core/modules/cat/fastq/meta.yml
 create mode 100644 modules/nf-core/modules/fastp/main.nf
 create mode 100644 modules/nf-core/modules/fastp/meta.yml

diff --git a/README.md b/README.md
index f57666d..5f00709 100644
--- a/README.md
+++ b/README.md
@@ -42,9 +42,9 @@ On release, automated continuous integration tests run the pipeline on a full-si
    - Centrifuge
    - Kaiju
    - mOTUs
-4.  Perform optional post-processing with:
-    -  bracken
-5.  Standardises output tables
+4. Perform optional post-processing with:
+    - bracken
+5. Standardises output tables
 6. Present QC for raw reads ([`MultiQC`](http://multiqc.info/))
 
 ## Quick Start
diff --git a/conf/modules.config b/conf/modules.config
index a0506a4..2d533e9 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -28,8 +28,47 @@ process {
 
     withName: FASTQC {
         ext.args = '--quiet'
+        ext.prefix = { "${meta.id}_${meta.run_accession}_raw" }
+        publishDir = [
+            path: { "${params.outdir}/fastqc/raw" },
+            mode: 'copy',
+            pattern: '*.html'
+        ]
+    }
+
+    withName: FASTP {
+        ext.prefix = { "${meta.id}_${meta.run_accession}" }
+        // TODO also include option to NOT merge
+        ext.args   = [
+            { ${meta.single_end} } == 0 ? "-m" : '',
+            params.fastp_exclude_unmerged ? '' : "--include_unmerged"
+        ].join(' ').trim()
+        publishDir = [
+            path: { "${params.outdir}/fastp" },
+            mode: 'copy',
+            pattern: '*.fastq.gz'
+        ]
+    }
+
+    withName: FASTQC_POST {
+        ext.args = '--quiet'
+        ext.prefix = { "${meta.id}_${meta.run_accession}_processed" }
+        publishDir = [
+            path: { "${params.outdir}/fastqc/processed" },
+            mode: 'copy',
+            pattern: '*.html'
+        ]
+    }
+
+    withName: CAT_FASTQ {
+        publishDir = [
+            path: { "${params.outdir}/prepared_sequences" },
+            mode: 'copy',
+            pattern: '*.fastq.gz'
+        ]
     }
 
+
     withName: CUSTOM_DUMPSOFTWAREVERSIONS {
         publishDir = [
             path: { "${params.outdir}/pipeline_info" },
diff --git a/conf/test.config b/conf/test.config
index 45f87af..5db566a 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -22,8 +22,6 @@ params {
     // Input data
     // TODO nf-core: Specify the paths to your test data on nf-core/test-datasets
     // TODO nf-core: Give any required params for the test so that command line flags are not needed
-    input  = 'https://raw.githubusercontent.com/nf-core/test-datasets/viralrecon/samplesheet/samplesheet_test_illumina_amplicon.csv'
+    input  = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
 
-    // Genome references
-    genome = 'R64-1-1'
 }
diff --git a/lib/WorkflowTaxprofiler.groovy b/lib/WorkflowTaxprofiler.groovy
index 53482ac..57a95e3 100755
--- a/lib/WorkflowTaxprofiler.groovy
+++ b/lib/WorkflowTaxprofiler.groovy
@@ -10,10 +10,11 @@ class WorkflowTaxprofiler {
     public static void initialise(params, log) {
         genomeExistsError(params, log)
 
-        if (!params.fasta) {
-            log.error "Genome fasta file not specified with e.g. '--fasta genome.fa' or via a detectable config file."
-            System.exit(1)
-        }
+        // TODO update as necessary
+        //if (!params.fasta) {
+        //    log.error "Genome fasta file not specified with e.g. '--fasta genome.fa' or via a detectable config file."
+        //    System.exit(1)
+        //}
     }
 
     //
diff --git a/modules.json b/modules.json
index 939b85f..6cf2b3e 100644
--- a/modules.json
+++ b/modules.json
@@ -3,9 +3,15 @@
     "homePage": "https://github.com/nf-core/taxprofiler",
     "repos": {
         "nf-core/modules": {
+            "cat/fastq": {
+                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
+            },
             "custom/dumpsoftwareversions": {
                 "git_sha": "20d8250d9f39ddb05dfb437603aaf99b5c0b2b41"
             },
+            "fastp": {
+                "git_sha": "d0a1cbb703a130c19f6796c3fce24fbe7dfce789"
+            },
             "fastqc": {
                 "git_sha": "9d0cad583b9a71a6509b754fdf589cbfbed08961"
             },
diff --git a/modules/nf-core/modules/cat/fastq/main.nf b/modules/nf-core/modules/cat/fastq/main.nf
new file mode 100644
index 0000000..bf0877c
--- /dev/null
+++ b/modules/nf-core/modules/cat/fastq/main.nf
@@ -0,0 +1,51 @@
+process CAT_FASTQ {
+    tag "$meta.id"
+    label 'process_low'
+
+    conda (params.enable_conda ? "conda-forge::sed=4.7" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://containers.biocontainers.pro/s3/SingImgsRepo/biocontainers/v1.2.0_cv1/biocontainers_v1.2.0_cv1.img' :
+        'biocontainers/biocontainers:v1.2.0_cv1' }"
+
+    input:
+    tuple val(meta), path(reads, stageAs: "input*/*")
+
+    output:
+    tuple val(meta), path("*.merged.fastq.gz"), emit: reads
+    path "versions.yml"                       , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    def readList = reads.collect{ it.toString() }
+    if (meta.single_end) {
+        if (readList.size > 1) {
+            """
+            cat ${readList.join(' ')} > ${prefix}.merged.fastq.gz
+
+            cat <<-END_VERSIONS > versions.yml
+            "${task.process}":
+                cat: \$(echo \$(cat --version 2>&1) | sed 's/^.*coreutils) //; s/ .*\$//')
+            END_VERSIONS
+            """
+        }
+    } else {
+        if (readList.size > 2) {
+            def read1 = []
+            def read2 = []
+            readList.eachWithIndex{ v, ix -> ( ix & 1 ? read2 : read1 ) << v }
+            """
+            cat ${read1.join(' ')} > ${prefix}_1.merged.fastq.gz
+            cat ${read2.join(' ')} > ${prefix}_2.merged.fastq.gz
+
+            cat <<-END_VERSIONS > versions.yml
+            "${task.process}":
+                cat: \$(echo \$(cat --version 2>&1) | sed 's/^.*coreutils) //; s/ .*\$//')
+            END_VERSIONS
+            """
+        }
+    }
+}
diff --git a/modules/nf-core/modules/cat/fastq/meta.yml b/modules/nf-core/modules/cat/fastq/meta.yml
new file mode 100644
index 0000000..c836598
--- /dev/null
+++ b/modules/nf-core/modules/cat/fastq/meta.yml
@@ -0,0 +1,39 @@
+name: cat_fastq
+description: Concatenates fastq files
+keywords:
+  - fastq
+  - concatenate
+tools:
+  - cat:
+      description: |
+        The cat utility reads files sequentially, writing them to the standard output.
+      documentation: https://www.gnu.org/software/coreutils/manual/html_node/cat-invocation.html
+      licence: ["GPL-3.0-or-later"]
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - reads:
+      type: list
+      description: |
+        List of input FastQ files to be concatenated.
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - reads:
+      type: file
+      description: Merged fastq file
+      pattern: "*.{merged.fastq.gz}"
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+
+authors:
+  - "@joseespinosa"
+  - "@drpatelh"
diff --git a/modules/nf-core/modules/fastp/main.nf b/modules/nf-core/modules/fastp/main.nf
new file mode 100644
index 0000000..5c9e3b8
--- /dev/null
+++ b/modules/nf-core/modules/fastp/main.nf
@@ -0,0 +1,75 @@
+process FASTP {
+    tag "$meta.id"
+    label 'process_medium'
+
+    conda (params.enable_conda ? 'bioconda::fastp=0.23.2' : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/fastp:0.23.2--h79da9fb_0' :
+        'quay.io/biocontainers/fastp:0.23.2--h79da9fb_0' }"
+
+    input:
+    tuple val(meta), path(reads)
+    val   save_trimmed_fail
+    val   save_merged
+
+    output:
+    tuple val(meta), path('*.trim.fastq.gz')  , optional:true, emit: reads
+    tuple val(meta), path('*.json')           , emit: json
+    tuple val(meta), path('*.html')           , emit: html
+    tuple val(meta), path('*.log')            , emit: log
+    path "versions.yml"                       , emit: versions
+    tuple val(meta), path('*.fail.fastq.gz')  , optional:true, emit: reads_fail
+    tuple val(meta), path('*.merged.fastq.gz'), optional:true, emit: reads_merged
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    // Added soft-links to original fastqs for consistent naming in MultiQC
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    if (meta.single_end) {
+        def fail_fastq = save_trimmed_fail ? "--failed_out ${prefix}.fail.fastq.gz" : ''
+        """
+        [ ! -f  ${prefix}.fastq.gz ] && ln -s $reads ${prefix}.fastq.gz
+        fastp \\
+            --in1 ${prefix}.fastq.gz \\
+            --out1 ${prefix}.trim.fastq.gz \\
+            --thread $task.cpus \\
+            --json ${prefix}.fastp.json \\
+            --html ${prefix}.fastp.html \\
+            $fail_fastq \\
+            $args \\
+            2> ${prefix}.fastp.log
+        cat <<-END_VERSIONS > versions.yml
+        "${task.process}":
+            fastp: \$(fastp --version 2>&1 | sed -e "s/fastp //g")
+        END_VERSIONS
+        """
+    } else {
+        def fail_fastq  = save_trimmed_fail ? "--unpaired1 ${prefix}_1.fail.fastq.gz --unpaired2 ${prefix}_2.fail.fastq.gz" : ''
+        def merge_fastq = save_merged ? "-m --merged_out ${prefix}.merged.fastq.gz" : ''
+        """
+        [ ! -f  ${prefix}_1.fastq.gz ] && ln -s ${reads[0]} ${prefix}_1.fastq.gz
+        [ ! -f  ${prefix}_2.fastq.gz ] && ln -s ${reads[1]} ${prefix}_2.fastq.gz
+        fastp \\
+            --in1 ${prefix}_1.fastq.gz \\
+            --in2 ${prefix}_2.fastq.gz \\
+            --out1 ${prefix}_1.trim.fastq.gz \\
+            --out2 ${prefix}_2.trim.fastq.gz \\
+            --json ${prefix}.fastp.json \\
+            --html ${prefix}.fastp.html \\
+            $fail_fastq \\
+            $merge_fastq \\
+            --thread $task.cpus \\
+            --detect_adapter_for_pe \\
+            $args \\
+            2> ${prefix}.fastp.log
+
+        cat <<-END_VERSIONS > versions.yml
+        "${task.process}":
+            fastp: \$(fastp --version 2>&1 | sed -e "s/fastp //g")
+        END_VERSIONS
+        """
+    }
+}
diff --git a/modules/nf-core/modules/fastp/meta.yml b/modules/nf-core/modules/fastp/meta.yml
new file mode 100644
index 0000000..3274e41
--- /dev/null
+++ b/modules/nf-core/modules/fastp/meta.yml
@@ -0,0 +1,68 @@
+name: fastp
+description: Perform adapter/quality trimming on sequencing reads
+keywords:
+  - trimming
+  - quality control
+  - fastq
+tools:
+  - fastp:
+      description: |
+        A tool designed to provide fast all-in-one preprocessing for FastQ files. This tool is developed in C++ with multithreading supported to afford high performance.
+      documentation: https://github.com/OpenGene/fastp
+      doi: https://doi.org/10.1093/bioinformatics/bty560
+      licence: ["MIT"]
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - reads:
+      type: file
+      description: |
+        List of input FastQ files of size 1 and 2 for single-end and paired-end data,
+        respectively.
+  - save_trimmed_fail:
+      type: boolean
+      description: Specify true to save files that failed to pass trimming thresholds ending in `*.fail.fastq.gz`
+  - save_merged:
+      type: boolean
+      description: Specify true to save all merged reads to the a file ending in `*.merged.fastq.gz`
+
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - reads:
+      type: file
+      description: The trimmed/modified/unmerged fastq reads
+      pattern: "*trim.fastq.gz"
+  - json:
+      type: file
+      description: Results in JSON format
+      pattern: "*.json"
+  - html:
+      type: file
+      description: Results in HTML format
+      pattern: "*.html"
+  - log:
+      type: file
+      description: fastq log file
+      pattern: "*.log"
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+  - reads_fail:
+      type: file
+      description: Reads the failed the preprocessing
+      pattern: "*fail.fastq.gz"
+  - reads_merged:
+      type: file
+      description: Reads that were successfully merged
+      pattern: "*.{merged.fastq.gz}"
+authors:
+  - "@drpatelh"
+  - "@kevinmenden"
diff --git a/nextflow.config b/nextflow.config
index 186979c..160dba7 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -33,7 +33,7 @@ params {
     help                       = false
     validate_params            = true
     show_hidden_params         = false
-    schema_ignore_params       = 'genomes'
+    schema_ignore_params       = 'genomes,fasta'
     enable_conda               = false
 
     // Config options
@@ -50,6 +50,9 @@ params {
     max_cpus                   = 16
     max_time                   = '240.h'
 
+    // FASTQ preprocessing
+    fastp_clip_merge       = false
+    fastp_exclude_unmerged = true
 }
 
 // Load base.config by default for all pipelines
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 535e08d..cc43add 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -56,15 +56,6 @@
                     "fa_icon": "fas fa-book",
                     "help_text": "If using a reference genome configured in the pipeline using iGenomes, use this parameter to give the ID for the reference. This is then used to build the full paths for all required reference genome files e.g. `--genome GRCh38`. \n\nSee the [nf-core website docs](https://nf-co.re/usage/reference_genomes) for more details."
                 },
-                "fasta": {
-                    "type": "string",
-                    "format": "file-path",
-                    "mimetype": "text/plain",
-                    "pattern": "^\\S+\\.fn?a(sta)?(\\.gz)?$",
-                    "description": "Path to FASTA genome file.",
-                    "help_text": "This parameter is *mandatory* if `--genome` is not specified. If you don't have a BWA index available this will be generated for you automatically. Combine with `--save_reference` to save BWA index for future runs.",
-                    "fa_icon": "far fa-file-code"
-                },
                 "igenomes_base": {
                     "type": "string",
                     "format": "directory-path",
diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index cddcbb3..241a8a7 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -9,22 +9,38 @@ workflow INPUT_CHECK {
     samplesheet // file: /path/to/samplesheet.csv
 
     main:
-    SAMPLESHEET_CHECK ( samplesheet )
+    parsed_samplesheet = SAMPLESHEET_CHECK ( samplesheet )
         .csv
         .splitCsv ( header:true, sep:',' )
+        .dump(tag: "split_csv_out")
+        .branch {
+            fasta: it['fasta'] != ''
+            fastq: true
+        }
+
+    parsed_samplesheet.fastq
         .map { create_fastq_channels(it) }
-        .set { reads }
+        .dump(tag: "fastq_channel_init")
+        .set { fastq }
+
+    parsed_samplesheet.fasta
+        .map { create_fasta_channels(it) }
+        .dump(tag: "fasta_channel_init")
+        .set { fasta }
 
     emit:
-    reads                                     // channel: [ val(meta), [ reads ] ]
+    fastq                                     // channel: [ val(meta), [ reads ] ]
+    fasta                                     // channel: [ val(meta), fasta ]
     versions = SAMPLESHEET_CHECK.out.versions // channel: [ versions.yml ]
 }
 
 // Function to get list of [ meta, [ fastq_1, fastq_2 ] ]
 def create_fastq_channels(LinkedHashMap row) {
     def meta = [:]
-    meta.id           = row.sample
-    meta.single_end   = row.single_end.toBoolean()
+    meta.id                     = row.sample
+    meta.run_accession          = row.run_accession
+    meta.instrument_platform    = row.instrument_platform
+    meta.single_end             = row.single_end.toBoolean()
 
     def array = []
     if (!file(row.fastq_1).exists()) {
@@ -40,3 +56,20 @@ def create_fastq_channels(LinkedHashMap row) {
     }
     return array
 }
+
+// Function to get list of [ meta, fasta ]
+def create_fasta_channels(LinkedHashMap row) {
+    def meta = [:]
+    meta.id                     = row.sample
+    meta.run_accession          = row.run_accession
+    meta.instrument_platform    = row.instrument_platform
+    meta.single_end             = true
+
+    def array = []
+    if (!file(row.fasta).exists()) {
+        exit 1, "ERROR: Please check input samplesheet -> FastA file does not exist!\n${row.fasta}"
+    }
+    array = [ meta, [ file(row.fasta) ] ]
+
+    return array
+}
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 56c532b..3f10a9d 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -11,7 +11,7 @@ WorkflowTaxprofiler.initialise(params, log)
 
 // TODO nf-core: Add all file path parameters for the pipeline to the list below
 // Check input path parameters to see if they exist
-def checkPathParamList = [ params.input, params.multiqc_config, params.fasta ]
+def checkPathParamList = [ params.input, params.multiqc_config ]
 for (param in checkPathParamList) { if (param) { file(param, checkIfExists: true) } }
 
 // Check mandatory parameters
@@ -50,6 +50,11 @@ include { FASTQC                      } from '../modules/nf-core/modules/fastqc/
 include { MULTIQC                     } from '../modules/nf-core/modules/multiqc/main'
 include { CUSTOM_DUMPSOFTWAREVERSIONS } from '../modules/nf-core/modules/custom/dumpsoftwareversions/main'
 
+include { FASTP as FASTP_SINGLE       } from '../modules/nf-core/modules/fastp/main'
+include { FASTP as FASTP_PAIRED       } from '../modules/nf-core/modules/fastp/main'
+include { FASTQC as FASTQC_POST       } from '../modules/nf-core/modules/fastqc/main'
+include { CAT_FASTQ                   } from '../modules/nf-core/modules/cat/fastq/main'
+
 /*
 ========================================================================================
     RUN MAIN WORKFLOW
@@ -75,7 +80,7 @@ workflow TAXPROFILER {
     // MODULE: Run FastQC
     //
     FASTQC (
-        INPUT_CHECK.out.reads
+        INPUT_CHECK.out.fastq
     )
     ch_versions = ch_versions.mix(FASTQC.out.versions.first())
 
@@ -83,6 +88,71 @@ workflow TAXPROFILER {
         ch_versions.unique().collectFile(name: 'collated_versions.yml')
     )
 
+    //
+    // MODULE: Run Clip/Merge/Complexity
+    //
+    // TODO give option to clip only and retain pairs
+    // TODO give option to retain singletons (probably fastp option likely)
+    // TODO move to subworkflow
+    if ( params.fastp_clip_merge ) {
+
+        ch_input_for_fastp = INPUT_CHECK.out.fastq
+                                .dump(tag: "pre-fastp_branch")
+                                .branch{
+                                    single: it[0]['single_end'] == true
+                                    paired: it[0]['single_end'] == false
+                                }
+
+        ch_input_for_fastp.single.dump(tag: "input_fastp_single")
+        ch_input_for_fastp.paired.dump(tag: "input_fastp_paired")
+
+        FASTP_SINGLE ( ch_input_for_fastp.single, false, false )
+        FASTP_PAIRED ( ch_input_for_fastp.paired, false, true )
+
+        ch_fastp_reads_prepped = FASTP_PAIRED.out.reads_merged
+                                    .mix( FASTP_SINGLE.out.reads )
+                                    .map {
+                                        meta, reads ->
+                                        def meta_new = meta.clone()
+                                        meta_new['single_end'] = 1
+                                        [ meta_new, reads ]
+                                    }
+
+        FASTQC_POST ( ch_fastp_reads_prepped )
+
+        ch_versions = ch_versions.mix(FASTP_SINGLE.out.versions.first())
+        ch_versions = ch_versions.mix(FASTP_PAIRED.out.versions.first())
+
+        ch_processed_reads = ch_fastp_reads_prepped
+
+    } else {
+        ch_processed_reads = INPUT_CHECK.out.fastq
+    }
+
+
+    // MODULE: Cat merge runs of same sample
+    ch_processed_for_combine = ch_processed_reads
+        .dump(tag: "prep_for_combine_grouping")
+        .map {
+            meta, reads ->
+            def meta_new = meta.clone()
+            meta_new['run_accession'] = 'combined'
+            [ meta_new, reads ]
+        }
+        .groupTuple ( by: 0 )
+        .branch{
+            combine: it[1].size() >= 2
+            skip: it[1].size() < 2
+        }
+
+    CAT_FASTQ ( ch_processed_for_combine.combine )
+
+    // Ready for profiling!
+    ch_reads_for_profiling = ch_processed_for_combine.skip
+                                .dump(tag: "skip_combine")
+                                .mix( CAT_FASTQ.out.reads )
+                                .dump(tag: "files_for_profiling")
+
     //
     // MODULE: MultiQC
     //
@@ -95,6 +165,12 @@ workflow TAXPROFILER {
     ch_multiqc_files = ch_multiqc_files.mix(ch_workflow_summary.collectFile(name: 'workflow_summary_mqc.yaml'))
     ch_multiqc_files = ch_multiqc_files.mix(CUSTOM_DUMPSOFTWAREVERSIONS.out.mqc_yml.collect())
     ch_multiqc_files = ch_multiqc_files.mix(FASTQC.out.zip.collect{it[1]}.ifEmpty([]))
+    if (params.fastp_clip_merge) {
+        ch_multiqc_files = ch_multiqc_files.mix(FASTP_SINGLE.out.json.collect{it[1]}.ifEmpty([]))
+        ch_multiqc_files = ch_multiqc_files.mix(FASTP_PAIRED.out.json.collect{it[1]}.ifEmpty([]))
+        ch_multiqc_files = ch_multiqc_files.mix(FASTQC_POST.out.zip.collect{it[1]}.ifEmpty([]))
+    }
+
 
     MULTIQC (
         ch_multiqc_files.collect()

From 278f5605ca831338384b5045e34f500f0b5ca1a2 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sat, 19 Feb 2022 12:36:08 +0100
Subject: [PATCH 008/789] Added database preparation and final channel for
 profiling

---
 modules/local/database_check.nf     | 25 ++++++++++
 nextflow.config                     |  3 ++
 subworkflows/local/db_check.nf      | 40 ++++++++++++++++
 subworkflows/local/input_check.nf   |  2 +-
 subworkflows/local/preprocessing.nf | 73 +++++++++++++++++++++++++++++
 workflows/taxprofiler.nf            | 65 ++++++++-----------------
 6 files changed, 161 insertions(+), 47 deletions(-)
 create mode 100644 modules/local/database_check.nf
 create mode 100644 subworkflows/local/db_check.nf
 create mode 100644 subworkflows/local/preprocessing.nf

diff --git a/modules/local/database_check.nf b/modules/local/database_check.nf
new file mode 100644
index 0000000..4da4313
--- /dev/null
+++ b/modules/local/database_check.nf
@@ -0,0 +1,25 @@
+process DATABASE_CHECK {
+    tag "$databasesheet"
+
+    conda (params.enable_conda ? "conda-forge::python=3.8.3" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/python:3.8.3' :
+        'quay.io/biocontainers/python:3.8.3' }"
+
+    input:
+    path databasesheet
+
+    output:
+    path '*.csv'       , emit: csv
+    path "versions.yml", emit: versions
+
+    script: // This script is bundled with the pipeline, in nf-core/taxprofiler/bin/
+    """
+    cat $databasesheet >> database_sheet.valid.csv
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        python: \$(python --version | sed 's/Python //g')
+    END_VERSIONS
+    """
+}
diff --git a/nextflow.config b/nextflow.config
index 160dba7..60b5a42 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -50,6 +50,9 @@ params {
     max_cpus                   = 16
     max_time                   = '240.h'
 
+    // Databaess
+    databases = null
+
     // FASTQ preprocessing
     fastp_clip_merge       = false
     fastp_exclude_unmerged = true
diff --git a/subworkflows/local/db_check.nf b/subworkflows/local/db_check.nf
new file mode 100644
index 0000000..909d98f
--- /dev/null
+++ b/subworkflows/local/db_check.nf
@@ -0,0 +1,40 @@
+//
+// Check input samplesheet and get read channels
+//
+
+include { DATABASE_CHECK } from '../../modules/local/database_check'
+
+workflow DB_CHECK {
+    take:
+    dbsheet // file: /path/to/dbsheet.csv
+
+    main:
+
+    // TODO: make database sheet check
+    parsed_samplesheet = DATABASE_CHECK ( dbsheet )
+        .csv
+        .splitCsv ( header:true, sep:',' )
+        .dump(tag: "db_split_csv_out")
+        .map { create_db_channels(it) }
+        .dump(tag: "db_channel_prepped")
+        .set{ dbs }
+
+    emit:
+    dbs                                       // channel: [ val(meta), [ db ] ]
+    versions = DATABASE_CHECK.out.versions // channel: [ versions.yml ]
+}
+
+def create_db_channels(LinkedHashMap row) {
+    def meta = [:]
+    meta.tool             = row.tool
+    meta.db_name          = row.db_name
+    meta.db_params        = row.db_params
+
+    def array = []
+    if (!file(row.db_path, type: 'dir').exists()) {
+        exit 1, "ERROR: Please check input samplesheet -> database could not be found!\n${row.db_path}"
+    }
+    array = [ meta, file(row.db_path) ]
+
+    return array
+}
diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index 241a8a7..8497faa 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -12,7 +12,7 @@ workflow INPUT_CHECK {
     parsed_samplesheet = SAMPLESHEET_CHECK ( samplesheet )
         .csv
         .splitCsv ( header:true, sep:',' )
-        .dump(tag: "split_csv_out")
+        .dump(tag: "input_split_csv_out")
         .branch {
             fasta: it['fasta'] != ''
             fastq: true
diff --git a/subworkflows/local/preprocessing.nf b/subworkflows/local/preprocessing.nf
new file mode 100644
index 0000000..5832824
--- /dev/null
+++ b/subworkflows/local/preprocessing.nf
@@ -0,0 +1,73 @@
+//
+// Check input samplesheet and get read channels
+//
+
+
+include { FASTP as FASTP_SINGLE       } from '../../modules/nf-core/modules/fastp/main'
+include { FASTP as FASTP_PAIRED       } from '../../modules/nf-core/modules/fastp/main'
+include { FASTQC as FASTQC_POST       } from '../../modules/nf-core/modules/fastqc/main'
+
+workflow FASTQ_PREPROCESSING {
+    take:
+    reads // file: /path/to/samplesheet.csv
+
+    main:
+    ch_versions = Channel.empty()
+    ch_multiqc_files      = Channel.empty()
+
+    //
+    // STEP: Read clipping and merging
+    //
+    // TODO give option to clip only and retain pairs
+    // TODO give option to retain singletons (probably fastp option likely)
+    // TODO move to subworkflow
+
+
+    if ( params.fastp_clip_merge ) {
+
+        ch_input_for_fastp = reads
+                                .dump(tag: "pre-fastp_branch")
+                                .branch{
+                                    single: it[0]['single_end'] == true
+                                    paired: it[0]['single_end'] == false
+                                }
+
+        ch_input_for_fastp.single.dump(tag: "input_fastp_single")
+        ch_input_for_fastp.paired.dump(tag: "input_fastp_paired")
+
+        FASTP_SINGLE ( ch_input_for_fastp.single, false, false )
+        FASTP_PAIRED ( ch_input_for_fastp.paired, false, true )
+
+        ch_fastp_reads_prepped = FASTP_PAIRED.out.reads_merged
+                                    .mix( FASTP_SINGLE.out.reads )
+                                    .map {
+                                        meta, reads ->
+                                        def meta_new = meta.clone()
+                                        meta_new['single_end'] = 1
+                                        [ meta_new, reads ]
+                                    }
+
+        FASTQC_POST ( ch_fastp_reads_prepped )
+
+        ch_versions = ch_versions.mix(FASTP_SINGLE.out.versions.first())
+        ch_versions = ch_versions.mix(FASTP_PAIRED.out.versions.first())
+
+        ch_processed_reads = ch_fastp_reads_prepped
+
+        ch_multiqc_files = ch_multiqc_files.mix( FASTQC_POST.out.zip.collect{it[1]} )
+        ch_multiqc_files = ch_multiqc_files.mix( FASTP_SINGLE.out.json.collect{it[1]} )
+        ch_multiqc_files = ch_multiqc_files.mix( FASTP_PAIRED.out.json.collect{it[1]} )
+
+        ch_multiqc_files.dump(tag: "preprocessing_mqc_final")
+
+    } else {
+        ch_processed_reads = reads
+    }
+
+
+    emit:
+    reads    = ch_processed_reads   // channel: [ val(meta), [ reads ] ]
+    versions = ch_versions          // channel: [ versions.yml ]
+    mqc      = ch_multiqc_files
+}
+
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 3f10a9d..4a356a5 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -11,11 +11,12 @@ WorkflowTaxprofiler.initialise(params, log)
 
 // TODO nf-core: Add all file path parameters for the pipeline to the list below
 // Check input path parameters to see if they exist
-def checkPathParamList = [ params.input, params.multiqc_config ]
+def checkPathParamList = [ params.input, params.databases, params.multiqc_config ]
 for (param in checkPathParamList) { if (param) { file(param, checkIfExists: true) } }
 
 // Check mandatory parameters
-if (params.input) { ch_input = file(params.input) } else { exit 1, 'Input samplesheet not specified!' }
+if (params.input    ) { ch_input     = file(params.input)     } else { exit 1, 'Input samplesheet not specified!' }
+if (params.databases) { ch_databases = file(params.databases) } else { exit 1, 'Input database sheet not specified!' }
 
 /*
 ========================================================================================
@@ -35,7 +36,11 @@ ch_multiqc_custom_config = params.multiqc_config ? Channel.fromPath(params.multi
 //
 // SUBWORKFLOW: Consisting of a mix of local and nf-core/modules
 //
-include { INPUT_CHECK } from '../subworkflows/local/input_check'
+include { INPUT_CHECK         } from '../subworkflows/local/input_check'
+
+include { DB_CHECK            } from '../subworkflows/local/db_check'
+include { FASTQ_PREPROCESSING } from '../subworkflows/local/preprocessing'
+
 
 /*
 ========================================================================================
@@ -50,9 +55,6 @@ include { FASTQC                      } from '../modules/nf-core/modules/fastqc/
 include { MULTIQC                     } from '../modules/nf-core/modules/multiqc/main'
 include { CUSTOM_DUMPSOFTWAREVERSIONS } from '../modules/nf-core/modules/custom/dumpsoftwareversions/main'
 
-include { FASTP as FASTP_SINGLE       } from '../modules/nf-core/modules/fastp/main'
-include { FASTP as FASTP_PAIRED       } from '../modules/nf-core/modules/fastp/main'
-include { FASTQC as FASTQC_POST       } from '../modules/nf-core/modules/fastqc/main'
 include { CAT_FASTQ                   } from '../modules/nf-core/modules/cat/fastq/main'
 
 /*
@@ -76,6 +78,10 @@ workflow TAXPROFILER {
     )
     ch_versions = ch_versions.mix(INPUT_CHECK.out.versions)
 
+    DB_CHECK (
+        ch_databases
+    )
+
     //
     // MODULE: Run FastQC
     //
@@ -91,47 +97,12 @@ workflow TAXPROFILER {
     //
     // MODULE: Run Clip/Merge/Complexity
     //
-    // TODO give option to clip only and retain pairs
-    // TODO give option to retain singletons (probably fastp option likely)
-    // TODO move to subworkflow
     if ( params.fastp_clip_merge ) {
-
-        ch_input_for_fastp = INPUT_CHECK.out.fastq
-                                .dump(tag: "pre-fastp_branch")
-                                .branch{
-                                    single: it[0]['single_end'] == true
-                                    paired: it[0]['single_end'] == false
-                                }
-
-        ch_input_for_fastp.single.dump(tag: "input_fastp_single")
-        ch_input_for_fastp.paired.dump(tag: "input_fastp_paired")
-
-        FASTP_SINGLE ( ch_input_for_fastp.single, false, false )
-        FASTP_PAIRED ( ch_input_for_fastp.paired, false, true )
-
-        ch_fastp_reads_prepped = FASTP_PAIRED.out.reads_merged
-                                    .mix( FASTP_SINGLE.out.reads )
-                                    .map {
-                                        meta, reads ->
-                                        def meta_new = meta.clone()
-                                        meta_new['single_end'] = 1
-                                        [ meta_new, reads ]
-                                    }
-
-        FASTQC_POST ( ch_fastp_reads_prepped )
-
-        ch_versions = ch_versions.mix(FASTP_SINGLE.out.versions.first())
-        ch_versions = ch_versions.mix(FASTP_PAIRED.out.versions.first())
-
-        ch_processed_reads = ch_fastp_reads_prepped
-
-    } else {
-        ch_processed_reads = INPUT_CHECK.out.fastq
+        FASTQ_PREPROCESSING ( INPUT_CHECK.out.fastq )
     }
 
-
     // MODULE: Cat merge runs of same sample
-    ch_processed_for_combine = ch_processed_reads
+    ch_processed_for_combine = FASTQ_PREPROCESSING.out.reads
         .dump(tag: "prep_for_combine_grouping")
         .map {
             meta, reads ->
@@ -153,6 +124,10 @@ workflow TAXPROFILER {
                                 .mix( CAT_FASTQ.out.reads )
                                 .dump(tag: "files_for_profiling")
 
+    // Combine reads with possible databases
+
+    ch_reads_for_profiling.combine(DB_CHECK.out.dbs).dump(tag: "reads_plus_db")
+
     //
     // MODULE: MultiQC
     //
@@ -166,9 +141,7 @@ workflow TAXPROFILER {
     ch_multiqc_files = ch_multiqc_files.mix(CUSTOM_DUMPSOFTWAREVERSIONS.out.mqc_yml.collect())
     ch_multiqc_files = ch_multiqc_files.mix(FASTQC.out.zip.collect{it[1]}.ifEmpty([]))
     if (params.fastp_clip_merge) {
-        ch_multiqc_files = ch_multiqc_files.mix(FASTP_SINGLE.out.json.collect{it[1]}.ifEmpty([]))
-        ch_multiqc_files = ch_multiqc_files.mix(FASTP_PAIRED.out.json.collect{it[1]}.ifEmpty([]))
-        ch_multiqc_files = ch_multiqc_files.mix(FASTQC_POST.out.zip.collect{it[1]}.ifEmpty([]))
+        ch_multiqc_files = ch_multiqc_files.mix(FASTQ_PREPROCESSING.out.mqc)
     }
 
 

From 2c183ed2edc61ab058580cb63441917d516eb564 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 3 Mar 2022 17:42:02 +0100
Subject: [PATCH 009/789] Add Kraken2 and MALT/run as Proof of Concept
 (currnetly MQC issue)

---
 conf/modules.config                           | 20 ++++++
 modules.json                                  |  6 ++
 .../nf-core/modules/kraken2/kraken2/main.nf   | 49 +++++++++++++
 .../nf-core/modules/kraken2/kraken2/meta.yml  | 60 ++++++++++++++++
 modules/nf-core/modules/malt/run/main.nf      | 49 +++++++++++++
 modules/nf-core/modules/malt/run/meta.yml     | 58 ++++++++++++++++
 nextflow.config                               | 11 ++-
 workflows/taxprofiler.nf                      | 69 +++++++++++++++++--
 8 files changed, 315 insertions(+), 7 deletions(-)
 create mode 100644 modules/nf-core/modules/kraken2/kraken2/main.nf
 create mode 100644 modules/nf-core/modules/kraken2/kraken2/meta.yml
 create mode 100644 modules/nf-core/modules/malt/run/main.nf
 create mode 100644 modules/nf-core/modules/malt/run/meta.yml

diff --git a/conf/modules.config b/conf/modules.config
index 2d533e9..dbc926c 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -68,6 +68,26 @@ process {
         ]
     }
 
+    withName: MALT_RUN {
+        publishDir = [
+            path: { "${params.outdir}/malt/${meta.db_name}" },
+            mode: 'copy',
+            pattern: '*.{rma6,tab,text,sam,log}'
+        ]
+        ext.args = { "${meta.db_params}" }
+        ext.when = params.run_malt
+    }
+
+    withName: KRAKEN2_KRAKEN2 {
+        publishDir = [
+            path: { "${params.outdir}/kraken2/${meta.db_name}" },
+            mode: 'copy',
+            pattern: '.{fastq.gz,txt}'
+        ]
+        ext.args = { "${meta.db_params}" }
+        ext.when = params.run_kraken2
+        ext.prefix = { "${meta.id}-${meta.db_name}" }
+    }
 
     withName: CUSTOM_DUMPSOFTWAREVERSIONS {
         publishDir = [
diff --git a/modules.json b/modules.json
index 6cf2b3e..844b33a 100644
--- a/modules.json
+++ b/modules.json
@@ -15,6 +15,12 @@
             "fastqc": {
                 "git_sha": "9d0cad583b9a71a6509b754fdf589cbfbed08961"
             },
+            "kraken2/kraken2": {
+                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
+            },
+            "malt/run": {
+                "git_sha": "76cdd46f3f8a77fb5023fb5a39c4ab99925b8b56"
+            },
             "multiqc": {
                 "git_sha": "20d8250d9f39ddb05dfb437603aaf99b5c0b2b41"
             }
diff --git a/modules/nf-core/modules/kraken2/kraken2/main.nf b/modules/nf-core/modules/kraken2/kraken2/main.nf
new file mode 100644
index 0000000..3ec5df5
--- /dev/null
+++ b/modules/nf-core/modules/kraken2/kraken2/main.nf
@@ -0,0 +1,49 @@
+process KRAKEN2_KRAKEN2 {
+    tag "$meta.id"
+    label 'process_high'
+
+    conda (params.enable_conda ? 'bioconda::kraken2=2.1.2 conda-forge::pigz=2.6' : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/mulled-v2-5799ab18b5fc681e75923b2450abaa969907ec98:87fc08d11968d081f3e8a37131c1f1f6715b6542-0' :
+        'quay.io/biocontainers/mulled-v2-5799ab18b5fc681e75923b2450abaa969907ec98:87fc08d11968d081f3e8a37131c1f1f6715b6542-0' }"
+
+    input:
+    tuple val(meta), path(reads)
+    path  db
+
+    output:
+    tuple val(meta), path('*classified*')  , emit: classified
+    tuple val(meta), path('*unclassified*'), emit: unclassified
+    tuple val(meta), path('*report.txt')   , emit: txt
+    path "versions.yml"                    , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    def paired       = meta.single_end ? "" : "--paired"
+    def classified   = meta.single_end ? "${prefix}.classified.fastq"   : "${prefix}.classified#.fastq"
+    def unclassified = meta.single_end ? "${prefix}.unclassified.fastq" : "${prefix}.unclassified#.fastq"
+    """
+    kraken2 \\
+        --db $db \\
+        --threads $task.cpus \\
+        --unclassified-out $unclassified \\
+        --classified-out $classified \\
+        --report ${prefix}.kraken2.report.txt \\
+        --gzip-compressed \\
+        $paired \\
+        $args \\
+        $reads
+
+    pigz -p $task.cpus *.fastq
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        kraken2: \$(echo \$(kraken2 --version 2>&1) | sed 's/^.*Kraken version //; s/ .*\$//')
+        pigz: \$( pigz --version 2>&1 | sed 's/pigz //g' )
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/modules/kraken2/kraken2/meta.yml b/modules/nf-core/modules/kraken2/kraken2/meta.yml
new file mode 100644
index 0000000..9d6a385
--- /dev/null
+++ b/modules/nf-core/modules/kraken2/kraken2/meta.yml
@@ -0,0 +1,60 @@
+name: kraken2_kraken2
+description: Classifies metagenomic sequence data
+keywords:
+  - classify
+  - metagenomics
+  - fastq
+  - db
+tools:
+  - kraken2:
+      description: |
+        Kraken2 is a taxonomic sequence classifier that assigns taxonomic labels to sequence reads
+      homepage: https://ccb.jhu.edu/software/kraken2/
+      documentation: https://github.com/DerrickWood/kraken2/wiki/Manual
+      doi: 10.1186/s13059-019-1891-0
+      licence: ["MIT"]
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - reads:
+      type: file
+      description: |
+        List of input FastQ files of size 1 and 2 for single-end and paired-end data,
+        respectively.
+  - db:
+      type: directory
+      description: Kraken2 database
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - classified:
+      type: file
+      description: |
+        Reads classified to belong to any of the taxa
+        on the Kraken2 database.
+      pattern: "*{fastq.gz}"
+  - unclassified:
+      type: file
+      description: |
+        Reads not classified to belong to any of the taxa
+        on the Kraken2 database.
+      pattern: "*{fastq.gz}"
+  - txt:
+      type: file
+      description: |
+        Kraken2 report containing stats about classified
+        and not classifed reads.
+      pattern: "*.{report.txt}"
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+authors:
+  - "@joseespinosa"
+  - "@drpatelh"
diff --git a/modules/nf-core/modules/malt/run/main.nf b/modules/nf-core/modules/malt/run/main.nf
new file mode 100644
index 0000000..61c02ec
--- /dev/null
+++ b/modules/nf-core/modules/malt/run/main.nf
@@ -0,0 +1,49 @@
+process MALT_RUN {
+    tag "$meta.id"
+    label 'process_high'
+
+    conda (params.enable_conda ? "bioconda::malt=0.53" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/malt:0.53--hdfd78af_0' :
+        'quay.io/biocontainers/malt:0.53--hdfd78af_0' }"
+
+    input:
+    tuple val(meta), path(fastqs)
+    val mode
+    path index
+
+    output:
+    tuple val(meta), path("*.rma6")                          , emit: rma6
+    tuple val(meta), path("*.{tab,text,sam}"),  optional:true, emit: alignments
+    tuple val(meta), path("*.log")                           , emit: log
+    path "versions.yml"                                      , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def avail_mem = 6
+    if (!task.memory) {
+        log.info '[MALT_RUN] Available memory not known - defaulting to 6GB. Specify process memory requirements to change this.'
+    } else {
+        avail_mem = task.memory.giga
+    }
+
+    """
+    malt-run \\
+        -J-Xmx${avail_mem}g \\
+        -t $task.cpus \\
+        -v \\
+        -o . \\
+        $args \\
+        --inFile ${fastqs.join(' ')} \\
+        -m $mode \\
+        --index $index/ |&tee malt-run.log
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        malt: \$(malt-run --help  2>&1 | grep -o 'version.* ' | cut -f 1 -d ',' | cut -f2 -d ' ')
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/modules/malt/run/meta.yml b/modules/nf-core/modules/malt/run/meta.yml
new file mode 100644
index 0000000..ae4277a
--- /dev/null
+++ b/modules/nf-core/modules/malt/run/meta.yml
@@ -0,0 +1,58 @@
+name: malt_run
+description: MALT, an acronym for MEGAN alignment tool, is a sequence alignment and analysis tool designed for processing high-throughput sequencing data, especially in the context of metagenomics.
+keywords:
+  - malt
+  - alignment
+  - metagenomics
+  - ancient DNA
+  - aDNA
+  - palaeogenomics
+  - archaeogenomics
+  - microbiome
+tools:
+  - malt:
+      description: A tool for mapping metagenomic data
+      homepage: https://www.wsi.uni-tuebingen.de/lehrstuehle/algorithms-in-bioinformatics/software/malt/
+      documentation: https://software-ab.informatik.uni-tuebingen.de/download/malt/manual.pdf
+      tool_dev_url: None
+      doi: "10.1038/s41559-017-0446-6"
+      licence: ["GPL v3"]
+
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - fastqs:
+      type: file
+      description: Input FASTQ files
+      pattern: "*.{fastq.gz,fq.gz}"
+  - mode:
+      type: string
+      description: Program mode
+      pattern: "Unknown|BlastN|BlastP|BlastX|Classifier"
+  - index:
+      type: directory
+      description: Index/database directory from malt-build
+      pattern: "*/"
+output:
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+  - rma6:
+      type: file
+      description: MEGAN6 RMA6 file
+      pattern: "*.rma6"
+  - sam:
+      type: file
+      description: Alignment files in Tab, Text or MEGAN-compatible SAM format
+      pattern: "*.{tab,txt,sam}"
+  - log:
+      type: file
+      description: Log of verbose MALT stdout
+      pattern: "malt-run.log"
+
+authors:
+  - "@jfy133"
diff --git a/nextflow.config b/nextflow.config
index 60b5a42..7991bdf 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -54,8 +54,15 @@ params {
     databases = null
 
     // FASTQ preprocessing
-    fastp_clip_merge       = false
-    fastp_exclude_unmerged = true
+    fastp_clip_merge           = false
+    fastp_exclude_unmerged     = true
+
+    // MALT
+    run_malt                   = false
+    malt_mode                  = 'BlastN'
+
+    // kraken2
+    run_kraken2                = false
 }
 
 // Load base.config by default for all pipelines
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 4a356a5..bd25563 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -56,6 +56,9 @@ include { MULTIQC                     } from '../modules/nf-core/modules/multiqc
 include { CUSTOM_DUMPSOFTWAREVERSIONS } from '../modules/nf-core/modules/custom/dumpsoftwareversions/main'
 
 include { CAT_FASTQ                   } from '../modules/nf-core/modules/cat/fastq/main'
+include { MALT_RUN                    } from '../modules/nf-core/modules/malt/run/main'
+include { KRAKEN2_KRAKEN2             } from '../modules/nf-core/modules/kraken2/kraken2/main'
+
 
 /*
 ========================================================================================
@@ -95,13 +98,15 @@ workflow TAXPROFILER {
     )
 
     //
-    // MODULE: Run Clip/Merge/Complexity
+    // PERFORM PREPROCESSING
     //
     if ( params.fastp_clip_merge ) {
         FASTQ_PREPROCESSING ( INPUT_CHECK.out.fastq )
     }
 
-    // MODULE: Cat merge runs of same sample
+    //
+    // PERFORM RUN MERGING
+    //
     ch_processed_for_combine = FASTQ_PREPROCESSING.out.reads
         .dump(tag: "prep_for_combine_grouping")
         .map {
@@ -118,15 +123,61 @@ workflow TAXPROFILER {
 
     CAT_FASTQ ( ch_processed_for_combine.combine )
 
-    // Ready for profiling!
     ch_reads_for_profiling = ch_processed_for_combine.skip
                                 .dump(tag: "skip_combine")
                                 .mix( CAT_FASTQ.out.reads )
                                 .dump(tag: "files_for_profiling")
 
-    // Combine reads with possible databases
+    //
+    // COMBINE READS WITH POSSIBLE DATABASES
+    //
+
+    // output [DUMP: reads_plus_db] [['id':'2612', 'run_accession':'combined', 'instrument_platform':'ILLUMINA', 'single_end':1], <reads_path>/2612.merged.fastq.gz, ['tool':'malt', 'db_name':'mal95', 'db_params':'"-id 90"'], <db_path>/malt90]
+    ch_input_for_profiling = ch_reads_for_profiling
+            .combine(DB_CHECK.out.dbs)
+            .dump(tag: "reads_plus_db")
+            .branch {
+                malt:    it[2]['tool'] == 'malt'
+                kraken2: it[2]['tool'] == 'kraken2'
+                unknown: true
+            }
+
+    //
+    // PREP PROFILER INPUT CHANNELS ON PER TOOL BASIS
+    //
+
+    // We groupTuple to have all samples in one channel for MALT as database
+    // loading takes a long time, so we only want to run it once per database
+    ch_input_for_malt =  ch_input_for_profiling.malt
+                            .map {
+                                it ->
+                                    def temp_meta =  [ id: it[2]['db_name']]  + it[2]
+                                    def db = it[3]
+                                    [ temp_meta, it[1], db ]
+                            }
+                            .groupTuple(by: [0,2])
+                            .dump(tag: "input for malt")
+                            .multiMap {
+                                it ->
+                                    reads: [ it[0], it[1].flatten() ]
+                                    db: it[2]
+                            }
+
+    // We can run Kraken2 one-by-one sample-wise
+    ch_input_for_kraken2 =  ch_input_for_profiling.kraken2
+                            .dump(tag: "input for kraken")
+                            .multiMap {
+                                it ->
+                                    reads: [ it[0] + it[2], it[1] ]
+                                    db: it[3]
+                            }
+
+    //
+    // RUN PROFILING
+    //
+    MALT_RUN ( ch_input_for_malt.reads, params.malt_mode, ch_input_for_malt.db )
+    KRAKEN2_KRAKEN2 ( ch_input_for_kraken2.reads, ch_input_for_kraken2.db  )
 
-    ch_reads_for_profiling.combine(DB_CHECK.out.dbs).dump(tag: "reads_plus_db")
 
     //
     // MODULE: MultiQC
@@ -143,6 +194,14 @@ workflow TAXPROFILER {
     if (params.fastp_clip_merge) {
         ch_multiqc_files = ch_multiqc_files.mix(FASTQ_PREPROCESSING.out.mqc)
     }
+    if (params.run_kraken2) {
+        ch_multiqc_files = ch_multiqc_files.mix(KRAKEN2_KRAKEN2.out.txt.collect{it[1]}.ifEmpty([]))
+        ch_versions = ch_versions.mix(KRAKEN2_KRAKEN2.out.versions.first())
+    }
+    if (params.run_malt) {
+        ch_multiqc_files = ch_multiqc_files.mix(MALT_RUN.out.log.collect{it[1]}.ifEmpty([]))
+        ch_versions = ch_versions.mix(MALT_RUN.out.versions.first())
+    }
 
 
     MULTIQC (

From e39c6a8ccb337b5889271df4f1e57bcbd3dd2c74 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 3 Mar 2022 18:04:03 +0100
Subject: [PATCH 010/789] Fix MALT multiqc report clash

---
 modules.json                              | 2 +-
 modules/nf-core/modules/malt/run/main.nf  | 3 ++-
 modules/nf-core/modules/malt/run/meta.yml | 2 +-
 workflows/taxprofiler.nf                  | 3 ++-
 4 files changed, 6 insertions(+), 4 deletions(-)

diff --git a/modules.json b/modules.json
index 844b33a..6a785b8 100644
--- a/modules.json
+++ b/modules.json
@@ -19,7 +19,7 @@
                 "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
             },
             "malt/run": {
-                "git_sha": "76cdd46f3f8a77fb5023fb5a39c4ab99925b8b56"
+                "git_sha": "72b96f4e504eef673f2b5c13560a9d90b669129b"
             },
             "multiqc": {
                 "git_sha": "20d8250d9f39ddb05dfb437603aaf99b5c0b2b41"
diff --git a/modules/nf-core/modules/malt/run/main.nf b/modules/nf-core/modules/malt/run/main.nf
index 61c02ec..4e2e50c 100644
--- a/modules/nf-core/modules/malt/run/main.nf
+++ b/modules/nf-core/modules/malt/run/main.nf
@@ -23,6 +23,7 @@ process MALT_RUN {
 
     script:
     def args = task.ext.args ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
     def avail_mem = 6
     if (!task.memory) {
         log.info '[MALT_RUN] Available memory not known - defaulting to 6GB. Specify process memory requirements to change this.'
@@ -39,7 +40,7 @@ process MALT_RUN {
         $args \\
         --inFile ${fastqs.join(' ')} \\
         -m $mode \\
-        --index $index/ |&tee malt-run.log
+        --index $index/ |&tee ${prefix}-malt-run.log
 
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":
diff --git a/modules/nf-core/modules/malt/run/meta.yml b/modules/nf-core/modules/malt/run/meta.yml
index ae4277a..66f2d7a 100644
--- a/modules/nf-core/modules/malt/run/meta.yml
+++ b/modules/nf-core/modules/malt/run/meta.yml
@@ -52,7 +52,7 @@ output:
   - log:
       type: file
       description: Log of verbose MALT stdout
-      pattern: "malt-run.log"
+      pattern: "*-malt-run.log"
 
 authors:
   - "@jfy133"
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index bd25563..bf3e6ee 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -203,7 +203,8 @@ workflow TAXPROFILER {
         ch_versions = ch_versions.mix(MALT_RUN.out.versions.first())
     }
 
-
+    // TODO MALT results overwriting per database?
+    // TODO Versions for Karken/MALT not report?
     MULTIQC (
         ch_multiqc_files.collect()
     )

From 424f11f5ed0898a0e0524a7386b35164f58beccb Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Thu, 17 Mar 2022 13:16:16 +0100
Subject: [PATCH 011/789] Update README.md

---
 README.md | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/README.md b/README.md
index 60baf67..5d0c74b 100644
--- a/README.md
+++ b/README.md
@@ -61,10 +61,10 @@ On release, automated continuous integration tests run the pipeline on a full-si
 
     Note that some form of configuration will be needed so that Nextflow knows how to fetch the required software. This is usually done in the form of a config profile (`YOURPROFILE` in the example command above). You can chain multiple config profiles in a comma-separated string.
 
-    > * The pipeline comes with config profiles called `docker`, `singularity`, `podman`, `shifter`, `charliecloud` and `conda` which instruct the pipeline to use the named tool for software management. For example, `-profile test,docker`.
-    > * Please check [nf-core/configs](https://github.com/nf-core/configs#documentation) to see if a custom config file to run nf-core pipelines already exists for your Institute. If so, you can simply use `-profile <institute>` in your command. This will enable either `docker` or `singularity` and set the appropriate execution settings for your local compute environment.
-    > * If you are using `singularity`, please use the [`nf-core download`](https://nf-co.re/tools/#downloading-pipelines-for-offline-use) command to download images first, before running the pipeline. Setting the [`NXF_SINGULARITY_CACHEDIR` or `singularity.cacheDir`](https://www.nextflow.io/docs/latest/singularity.html?#singularity-docker-hub) Nextflow options enables you to store and re-use the images from a central location for future pipeline runs.
-    > * If you are using `conda`, it is highly recommended to use the [`NXF_CONDA_CACHEDIR` or `conda.cacheDir`](https://www.nextflow.io/docs/latest/conda.html) settings to store the environments in a central location for future pipeline runs.
+    > - The pipeline comes with config profiles called `docker`, `singularity`, `podman`, `shifter`, `charliecloud` and `conda` which instruct the pipeline to use the named tool for software management. For example, `-profile test,docker`.
+    > - Please check [nf-core/configs](https://github.com/nf-core/configs#documentation) to see if a custom config file to run nf-core pipelines already exists for your Institute. If so, you can simply use `-profile <institute>` in your command. This will enable either `docker` or `singularity` and set the appropriate execution settings for your local compute environment.
+    > - If you are using `singularity`, please use the [`nf-core download`](https://nf-co.re/tools/#downloading-pipelines-for-offline-use) command to download images first, before running the pipeline. Setting the [`NXF_SINGULARITY_CACHEDIR` or `singularity.cacheDir`](https://www.nextflow.io/docs/latest/singularity.html?#singularity-docker-hub) Nextflow options enables you to store and re-use the images from a central location for future pipeline runs.
+    > - If you are using `conda`, it is highly recommended to use the [`NXF_CONDA_CACHEDIR` or `conda.cacheDir`](https://www.nextflow.io/docs/latest/conda.html) settings to store the environments in a central location for future pipeline runs.
 
 4. Start running your own analysis!
 

From 0f0ed6cd4698df3bea9d4168c056085a820eb056 Mon Sep 17 00:00:00 2001
From: ljmesi <37740329+ljmesi@users.noreply.github.com>
Date: Fri, 18 Mar 2022 10:45:06 +0100
Subject: [PATCH 012/789] Fix function name

---
 subworkflows/local/input_check.nf | 1 +
 1 file changed, 1 insertion(+)

diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index d66fb3a..481028f 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -15,6 +15,7 @@ workflow INPUT_CHECK {
         .dump(tag: "input_split_csv_out")
         .branch {
             fasta: it['fasta'] != ''
+            nanopore: it['instrument_platform'] == 'OXFORD_NANOPORE'
             fastq: true
         }
 

From 41b3d8db822caab916ec82fe4b4f581f17ab1ca5 Mon Sep 17 00:00:00 2001
From: ljmesi <37740329+ljmesi@users.noreply.github.com>
Date: Fri, 18 Mar 2022 10:47:41 +0100
Subject: [PATCH 013/789] Add nanopore channel

---
 subworkflows/local/input_check.nf | 21 +++++++++++++++++----
 1 file changed, 17 insertions(+), 4 deletions(-)

diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index 481028f..2e30bcc 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -20,10 +20,15 @@ workflow INPUT_CHECK {
         }
 
     parsed_samplesheet.fastq
-        .map { create_fastq_channels(it) }
+        .map { create_fastq_channel(it) }
         .dump(tag: "fastq_channel_init")
         .set { fastq }
 
+    parsed_samplesheet.nanopore
+        .map { create_fastq_channel(it) }
+        .dump(tag: "fastq_nanopore_channel_init")
+        .set { nanopore }
+
     parsed_samplesheet.fasta
         .map { create_fasta_channels(it) }
         .dump(tag: "fasta_channel_init")
@@ -31,6 +36,7 @@ workflow INPUT_CHECK {
 
     emit:
     fastq                                     // channel: [ val(meta), [ reads ] ]
+    nanopore                                  // channel: [ val(meta), [ reads ] ]
     fasta                                     // channel: [ val(meta), fasta ]
     versions = SAMPLESHEET_CHECK.out.versions // channel: [ versions.yml ]
 }
@@ -52,10 +58,17 @@ def create_fastq_channel(LinkedHashMap row) {
     if (meta.single_end) {
         fastq_meta = [ meta, [ file(row.fastq_1) ] ]
     } else {
-        if (!file(row.fastq_2).exists()) {
-            exit 1, "ERROR: Please check input samplesheet -> Read 2 FastQ file does not exist!\n${row.fastq_2}"
+        if (meta.instrument_platform == 'OXFORD_NANOPORE') {
+            if (row.fastq_2 != '') {
+                exit 1, "ERROR: Please check input samplesheet -> For Oxford Nanopore reads Read 2 FastQ should be empty!\n${row.fastq_2}"
+            }
+            fastq_meta = [ meta, [ file(row.fastq_1) ] ]
+        } else {
+            if (!file(row.fastq_2).exists()) {
+                exit 1, "ERROR: Please check input samplesheet -> Read 2 FastQ file does not exist!\n${row.fastq_2}"
+            }
+            fastq_meta = [ meta, [ file(row.fastq_1), file(row.fastq_2) ] ]
         }
-        fastq_meta = [ meta, [ file(row.fastq_1), file(row.fastq_2) ] ]
     }
     return fastq_meta
 }

From 7f7ddc9f14237f1616918963a002cbc64fea2687 Mon Sep 17 00:00:00 2001
From: ljmesi <37740329+ljmesi@users.noreply.github.com>
Date: Fri, 18 Mar 2022 10:48:06 +0100
Subject: [PATCH 014/789] Update comment

---
 bin/check_samplesheet.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/bin/check_samplesheet.py b/bin/check_samplesheet.py
index 16e668b..d10ee90 100755
--- a/bin/check_samplesheet.py
+++ b/bin/check_samplesheet.py
@@ -173,7 +173,7 @@ def check_samplesheet(file_in, file_out):
             ## Auto-detect paired-end/single-end
             if sample and fastq_1 and fastq_2:  ## Paired-end short reads
                 sample_info.extend(["0", fastq_1, fastq_2, fasta])
-            elif sample and fastq_1 and not fastq_2:  ## Single-end short reads
+            elif sample and fastq_1 and not fastq_2:  ## Single-end short/long fastq reads
                 sample_info.extend(["1", fastq_1, fastq_2, fasta])
             elif (
                 sample and fasta and not fastq_1 and not fastq_2

From 2e1b6c5d0a3b7c455bba5cb4d20dbbceac43dffe Mon Sep 17 00:00:00 2001
From: ljmesi <37740329+ljmesi@users.noreply.github.com>
Date: Fri, 18 Mar 2022 11:00:36 +0100
Subject: [PATCH 015/789] Add info on Nanopore reads to fastq_1 column

---
 docs/usage.md | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/docs/usage.md b/docs/usage.md
index a8b0448..38c063e 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -44,11 +44,11 @@ TREATMENT_REP3,AEG588A6_S6_L003_R1_001.fastq.gz,
 TREATMENT_REP3,AEG588A6_S6_L004_R1_001.fastq.gz,
 ```
 
-| Column         | Description                                                                                                                                                                            |
-|----------------|----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------|
-| `sample`       | Custom sample name. This entry will be identical for multiple sequencing libraries/runs from the same sample. Spaces in sample names are automatically converted to underscores (`_`). |
-| `fastq_1`      | Full path to FastQ file for Illumina short reads 1. File has to be gzipped and have the extension ".fastq.gz" or ".fq.gz".                                                             |
-| `fastq_2`      | Full path to FastQ file for Illumina short reads 2. File has to be gzipped and have the extension ".fastq.gz" or ".fq.gz".                                                             |
+| Column    | Description                                                                                                                                                                            |
+| --------- | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
+| `sample`  | Custom sample name. This entry will be identical for multiple sequencing libraries/runs from the same sample. Spaces in sample names are automatically converted to underscores (`_`). |
+| `fastq_1` | Full path to FastQ file for Illumina short reads 1 or Nanopore reads. File has to be gzipped and have the extension ".fastq.gz" or ".fq.gz".                                           |
+| `fastq_2` | Full path to FastQ file for Illumina short reads 2. File has to be gzipped and have the extension ".fastq.gz" or ".fq.gz".                                                             |
 
 An [example samplesheet](../assets/samplesheet.csv) has been provided with the pipeline.
 

From c8e49c56f4f6b26dde209acfd474fc5c4f43caf7 Mon Sep 17 00:00:00 2001
From: ljmesi <37740329+ljmesi@users.noreply.github.com>
Date: Fri, 18 Mar 2022 13:47:44 +0100
Subject: [PATCH 016/789] Perform fastqc on nanopore reads before trimming

---
 workflows/taxprofiler.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index f740324..c3d3eb6 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -89,7 +89,7 @@ workflow TAXPROFILER {
     // MODULE: Run FastQC
     //
     FASTQC (
-        INPUT_CHECK.out.fastq
+        INPUT_CHECK.out.fastq.concat( INPUT_CHECK.out.nanopore )
     )
     ch_versions = ch_versions.mix(FASTQC.out.versions.first())
 

From 0936b9b28e52986576d9bb62473373f209565d6d Mon Sep 17 00:00:00 2001
From: Lauri Mesilaakso <john.mesilaakso@gmail.com>
Date: Fri, 18 Mar 2022 14:18:38 +0100
Subject: [PATCH 017/789] Update workflows/taxprofiler.nf

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 workflows/taxprofiler.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index c3d3eb6..f48cff6 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -89,7 +89,7 @@ workflow TAXPROFILER {
     // MODULE: Run FastQC
     //
     FASTQC (
-        INPUT_CHECK.out.fastq.concat( INPUT_CHECK.out.nanopore )
+        INPUT_CHECK.out.fastq.mix( INPUT_CHECK.out.nanopore )
     )
     ch_versions = ch_versions.mix(FASTQC.out.versions.first())
 

From 16be676d72f9964038a52fb0ddc58c9bdafd4f9b Mon Sep 17 00:00:00 2001
From: ljmesi <37740329+ljmesi@users.noreply.github.com>
Date: Fri, 18 Mar 2022 14:34:10 +0100
Subject: [PATCH 018/789] Add Porechop module

---
 conf/modules.config                       |  9 ++++
 modules.json                              |  3 ++
 modules/nf-core/modules/porechop/main.nf  | 35 ++++++++++++++++
 modules/nf-core/modules/porechop/meta.yml | 50 +++++++++++++++++++++++
 4 files changed, 97 insertions(+)
 create mode 100644 modules/nf-core/modules/porechop/main.nf
 create mode 100644 modules/nf-core/modules/porechop/meta.yml

diff --git a/conf/modules.config b/conf/modules.config
index 9e334bc..050772e 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -50,6 +50,15 @@ process {
         ]
     }
 
+    withName: PORECHOP {
+        ext.prefix = { "${meta.id}_${meta.run_accession}" }
+        publishDir = [
+            path: { "${params.outdir}/porechop" },
+            mode: 'copy',
+            pattern: '*.fastq.gz'
+        ]
+    }
+
     withName: FASTQC_POST {
         ext.args = '--quiet'
         ext.prefix = { "${meta.id}_${meta.run_accession}_processed" }
diff --git a/modules.json b/modules.json
index 6a785b8..284cf13 100644
--- a/modules.json
+++ b/modules.json
@@ -23,6 +23,9 @@
             },
             "multiqc": {
                 "git_sha": "20d8250d9f39ddb05dfb437603aaf99b5c0b2b41"
+            },
+            "porechop": {
+                "git_sha": "e20e57f90b6787ac9a010a980cf6ea98bd990046"
             }
         }
     }
diff --git a/modules/nf-core/modules/porechop/main.nf b/modules/nf-core/modules/porechop/main.nf
new file mode 100644
index 0000000..65982b8
--- /dev/null
+++ b/modules/nf-core/modules/porechop/main.nf
@@ -0,0 +1,35 @@
+process PORECHOP {
+    tag "$meta.id"
+    label 'process_medium'
+
+    conda (params.enable_conda ? "bioconda::porechop=0.2.4" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/porechop:0.2.4--py39h7cff6ad_2' :
+        'quay.io/biocontainers/porechop:0.2.4--py39h7cff6ad_2' }"
+
+    input:
+    tuple val(meta), path(reads)
+
+    output:
+    tuple val(meta), path("*.fastq.gz"), emit: reads
+    path "versions.yml"                , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    """
+    porechop \\
+        -i $reads \\
+        -t $task.cpus \\
+        $args \\
+        -o ${prefix}.fastq.gz
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        porechop: \$( porechop --version )
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/modules/porechop/meta.yml b/modules/nf-core/modules/porechop/meta.yml
new file mode 100644
index 0000000..81399d2
--- /dev/null
+++ b/modules/nf-core/modules/porechop/meta.yml
@@ -0,0 +1,50 @@
+name: porechop
+description: Adapter removal and demultiplexing of Oxford Nanopore reads
+keywords:
+  - adapter
+  - nanopore
+  - demultiplexing
+tools:
+  - porechop:
+      description: Adapter removal and demultiplexing of Oxford Nanopore reads
+      homepage: "https://github.com/rrwick/Porechop"
+      documentation: "https://github.com/rrwick/Porechop"
+      tool_dev_url: "https://github.com/rrwick/Porechop"
+      doi: "10.1099/mgen.0.000132"
+      licence: ["GPL v3"]
+
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - reads:
+      type: file
+      description: fastq/fastq.gz file
+      pattern: "*.{fastq,fastq.gz,fq,fq.gz}"
+
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+  - reads:
+      type: file
+      description: Demultiplexed and/or adapter-trimmed fastq.gz file
+      pattern: "*.{fastq.gz}"
+
+authors:
+  - "@ggabernet"
+  - "@jasmezz"
+  - "@d4straub"
+  - "@LaurenceKuhl"
+  - "@SusiJo"
+  - "@jonasscheid"
+  - "@jonoave"
+  - "@GokceOGUZ"

From 1e42f1d9f295e909cc75d10b6306cce2d1f4bf22 Mon Sep 17 00:00:00 2001
From: ljmesi <37740329+ljmesi@users.noreply.github.com>
Date: Fri, 18 Mar 2022 15:10:44 +0100
Subject: [PATCH 019/789] Add long read preprocessing subworkflow

---
 subworkflows/local/longread_preprocessing.nf | 34 ++++++++++++++++++++
 1 file changed, 34 insertions(+)
 create mode 100644 subworkflows/local/longread_preprocessing.nf

diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf
new file mode 100644
index 0000000..da1049a
--- /dev/null
+++ b/subworkflows/local/longread_preprocessing.nf
@@ -0,0 +1,34 @@
+
+include { FASTQC as FASTQC_POST } from '../../modules/nf-core/modules/fastqc/main'
+include { PORECHOP              } from '../../modules/nf-core/modules/porechop/main'
+
+workflow LONGREAD_PREPROCESSING {
+    take:
+    reads
+
+    main:
+    ch_versions      = Channel.empty()
+    ch_multiqc_files = Channel.empty()
+
+    PORECHOP ( reads )
+
+    ch_processed_reads = PORECHOP.out.reads
+                                .dump(tag: "pre_fastqc_check")
+                                .map {
+                                        meta, reads ->
+                                        def meta_new = meta.clone()
+                                        meta_new['single_end'] = 1
+                                        [ meta_new, reads ]
+                                    }
+
+    FASTQC_POST ( PORECHOP.out.reads )
+    ch_versions = ch_versions.mix(PORECHOP.out.versions.first())
+    ch_multiqc_files = ch_multiqc_files.mix( FASTQC_POST.out.zip.collect{it[1]} )
+
+
+    emit:
+    reads    = ch_processed_reads   // channel: [ val(meta), [ reads ] ]
+    versions = ch_versions          // channel: [ versions.yml ]
+    mqc      = ch_multiqc_files
+}
+

From 582aaa105fff0328f8df314d88ab84fe6c8e528b Mon Sep 17 00:00:00 2001
From: ljmesi <37740329+ljmesi@users.noreply.github.com>
Date: Fri, 18 Mar 2022 15:12:07 +0100
Subject: [PATCH 020/789] Include long reads preprocessing subworkflow

---
 workflows/taxprofiler.nf | 7 ++++++-
 1 file changed, 6 insertions(+), 1 deletion(-)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index f48cff6..9e52b59 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -40,7 +40,7 @@ include { INPUT_CHECK         } from '../subworkflows/local/input_check'
 
 include { DB_CHECK            } from '../subworkflows/local/db_check'
 include { FASTQ_PREPROCESSING } from '../subworkflows/local/preprocessing'
-
+include { LONGREAD_PREPROCESSING } from '../subworkflows/local/longread_preprocessing'
 
 /*
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
@@ -104,6 +104,10 @@ workflow TAXPROFILER {
         FASTQ_PREPROCESSING ( INPUT_CHECK.out.fastq )
     }
 
+    LONGREAD_PREPROCESSING ( INPUT_CHECK.out.nanopore )
+
+    ch_versions = ch_versions.mix(LONGREAD_PREPROCESSING.out.versions.first())
+
     //
     // PERFORM RUN MERGING
     //
@@ -191,6 +195,7 @@ workflow TAXPROFILER {
     ch_multiqc_files = ch_multiqc_files.mix(ch_workflow_summary.collectFile(name: 'workflow_summary_mqc.yaml'))
     ch_multiqc_files = ch_multiqc_files.mix(CUSTOM_DUMPSOFTWAREVERSIONS.out.mqc_yml.collect())
     ch_multiqc_files = ch_multiqc_files.mix(FASTQC.out.zip.collect{it[1]}.ifEmpty([]))
+    ch_multiqc_files = ch_multiqc_files.mix(LONGREAD_PREPROCESSING.out.mqc)
     if (params.fastp_clip_merge) {
         ch_multiqc_files = ch_multiqc_files.mix(FASTQ_PREPROCESSING.out.mqc)
     }

From d09a3c170edac3afb7e6932cbcca824d6b77e202 Mon Sep 17 00:00:00 2001
From: ljmesi <37740329+ljmesi@users.noreply.github.com>
Date: Fri, 18 Mar 2022 15:46:03 +0100
Subject: [PATCH 021/789] Add Porechop

---
 CITATIONS.md | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/CITATIONS.md b/CITATIONS.md
index 192b2f4..53c53c3 100644
--- a/CITATIONS.md
+++ b/CITATIONS.md
@@ -15,6 +15,8 @@
 * [MultiQC](https://pubmed.ncbi.nlm.nih.gov/27312411/)
     > Ewels P, Magnusson M, Lundin S, Käller M. MultiQC: summarize analysis results for multiple tools and samples in a single report. Bioinformatics. 2016 Oct 1;32(19):3047-8. doi: 10.1093/bioinformatics/btw354. Epub 2016 Jun 16. PubMed PMID: 27312411; PubMed Central PMCID: PMC5039924.
 
+* [Porechop](https://github.com/rrwick/Porechop)
+
 ## Software packaging/containerisation tools
 
 * [Anaconda](https://anaconda.com)

From 24a01529f5053c51a0f548ad04790f9bd5e3df9d Mon Sep 17 00:00:00 2001
From: ljmesi <37740329+ljmesi@users.noreply.github.com>
Date: Fri, 18 Mar 2022 15:47:46 +0100
Subject: [PATCH 022/789] Add mentioning about Nanopore reads pre-processing

---
 README.md | 1 +
 1 file changed, 1 insertion(+)

diff --git a/README.md b/README.md
index 5d0c74b..622b8de 100644
--- a/README.md
+++ b/README.md
@@ -34,6 +34,7 @@ On release, automated continuous integration tests run the pipeline on a full-si
    - Low complexity filtering
    - Host read removal
    - Run merging
+   - Adapter and quality trimming of Nanopore reads
 3. Performs taxonomic profiling a choice of:
    - Kraken2
    - MetaPhlAn3

From c7f022008c561e70e2ed4a875c17ea1ece109f43 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 21 Mar 2022 15:07:59 +0100
Subject: [PATCH 023/789] Start getting database prep ready

---
 modules.json                           |  3 +++
 modules/nf-core/modules/untar/main.nf  | 36 ++++++++++++++++++++++++++
 modules/nf-core/modules/untar/meta.yml | 28 ++++++++++++++++++++
 subworkflows/local/db_check.nf         | 14 +++++++++-
 subworkflows/local/input_check.nf      |  2 +-
 5 files changed, 81 insertions(+), 2 deletions(-)
 create mode 100644 modules/nf-core/modules/untar/main.nf
 create mode 100644 modules/nf-core/modules/untar/meta.yml

diff --git a/modules.json b/modules.json
index 6a785b8..9a7f1df 100644
--- a/modules.json
+++ b/modules.json
@@ -23,6 +23,9 @@
             },
             "multiqc": {
                 "git_sha": "20d8250d9f39ddb05dfb437603aaf99b5c0b2b41"
+            },
+            "untar": {
+                "git_sha": "7ec09d0ef4df89617baacc9b2dafcddb7cd4b05a"
             }
         }
     }
diff --git a/modules/nf-core/modules/untar/main.nf b/modules/nf-core/modules/untar/main.nf
new file mode 100644
index 0000000..bbae948
--- /dev/null
+++ b/modules/nf-core/modules/untar/main.nf
@@ -0,0 +1,36 @@
+process UNTAR {
+    tag "$archive"
+    label 'process_low'
+
+    conda (params.enable_conda ? "conda-forge::tar=1.32" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://containers.biocontainers.pro/s3/SingImgsRepo/biocontainers/v1.2.0_cv1/biocontainers_v1.2.0_cv1.img' :
+        'biocontainers/biocontainers:v1.2.0_cv1' }"
+
+    input:
+    path archive
+
+    output:
+    path "$untar"      , emit: untar
+    path "versions.yml", emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def args2 = task.ext.args2 ?: ''
+    untar        = archive.toString() - '.tar.gz'
+    """
+    tar \\
+        -xzvf \\
+        $args \\
+        $archive \\
+        $args2 \\
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        untar: \$(echo \$(tar --version 2>&1) | sed 's/^.*(GNU tar) //; s/ Copyright.*\$//')
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/modules/untar/meta.yml b/modules/nf-core/modules/untar/meta.yml
new file mode 100644
index 0000000..e877a97
--- /dev/null
+++ b/modules/nf-core/modules/untar/meta.yml
@@ -0,0 +1,28 @@
+name: untar
+description: Extract files.
+keywords:
+  - untar
+  - uncompress
+tools:
+  - untar:
+      description: |
+        Extract tar.gz files.
+      documentation: https://www.gnu.org/software/tar/manual/
+      licence: ["GPL-3.0-or-later"]
+input:
+  - archive:
+      type: file
+      description: File to be untar
+      pattern: "*.{tar}.{gz}"
+output:
+  - untar:
+      type: file
+      description:
+      pattern: "*.*"
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+authors:
+  - "@joseespinosa"
+  - "@drpatelh"
diff --git a/subworkflows/local/db_check.nf b/subworkflows/local/db_check.nf
index 909d98f..6f061d7 100644
--- a/subworkflows/local/db_check.nf
+++ b/subworkflows/local/db_check.nf
@@ -19,8 +19,20 @@ workflow DB_CHECK {
         .dump(tag: "db_channel_prepped")
         .set{ dbs }
 
+
+    parsed_samplesheet
+        .branch {
+            untar: it[0]['db_path'].toString().endsWith(".tar.gz")
+            skip: true
+        }
+        .set{ ch_dbs_for_untar }
+
+    UNTAR ( ch_dbs_for_untar.untar )
+
+    ch_final_dbs = ch_dbs_for_untar.skip.mix( ch_dbs_untarred )
+
     emit:
-    dbs                                       // channel: [ val(meta), [ db ] ]
+    dbs = ch_final_dbs                        // channel: [ val(meta), [ db ] ]
     versions = DATABASE_CHECK.out.versions // channel: [ versions.yml ]
 }
 
diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index d66fb3a..938c87f 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -35,7 +35,7 @@ workflow INPUT_CHECK {
 }
 
 // Function to get list of [ meta, [ fastq_1, fastq_2 ] ]
-def create_fastq_channel(LinkedHashMap row) {
+def create_fastq_channels(LinkedHashMap row) {
     // create meta map
     def meta = [:]
     meta.id                     = row.sample

From 631c115e1003fc7cb9b0c893bf7cde761f4287ef Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Mon, 21 Mar 2022 14:58:19 +0000
Subject: [PATCH 024/789] Adds PoC of untarring system

---
 conf/modules.config                    |  2 +-
 modules.json                           |  2 +-
 modules/nf-core/modules/untar/main.nf  | 10 +++++-----
 modules/nf-core/modules/untar/meta.yml | 10 ++++++++++
 subworkflows/local/db_check.nf         |  9 +++++----
 5 files changed, 22 insertions(+), 11 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 9e334bc..620ae1d 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -82,7 +82,7 @@ process {
         publishDir = [
             path: { "${params.outdir}/kraken2/${meta.db_name}" },
             mode: 'copy',
-            pattern: '.{fastq.gz,txt}'
+            pattern: '*.{fastq.gz,txt}'
         ]
         ext.args = { "${meta.db_params}" }
         ext.when = params.run_kraken2
diff --git a/modules.json b/modules.json
index 9a7f1df..96a43d8 100644
--- a/modules.json
+++ b/modules.json
@@ -25,7 +25,7 @@
                 "git_sha": "20d8250d9f39ddb05dfb437603aaf99b5c0b2b41"
             },
             "untar": {
-                "git_sha": "7ec09d0ef4df89617baacc9b2dafcddb7cd4b05a"
+                "git_sha": "e080f4c8acf5760039ed12ec1f206170f3f9a918"
             }
         }
     }
diff --git a/modules/nf-core/modules/untar/main.nf b/modules/nf-core/modules/untar/main.nf
index bbae948..dc43fb7 100644
--- a/modules/nf-core/modules/untar/main.nf
+++ b/modules/nf-core/modules/untar/main.nf
@@ -8,19 +8,19 @@ process UNTAR {
         'biocontainers/biocontainers:v1.2.0_cv1' }"
 
     input:
-    path archive
+    tuple val(meta), path(archive)
 
     output:
-    path "$untar"      , emit: untar
-    path "versions.yml", emit: versions
+    tuple val(meta), path("$untar"), emit: untar
+    path "versions.yml"            , emit: versions
 
     when:
     task.ext.when == null || task.ext.when
 
     script:
-    def args = task.ext.args ?: ''
+    def args  = task.ext.args ?: ''
     def args2 = task.ext.args2 ?: ''
-    untar        = archive.toString() - '.tar.gz'
+    untar     = archive.toString() - '.tar.gz'
     """
     tar \\
         -xzvf \\
diff --git a/modules/nf-core/modules/untar/meta.yml b/modules/nf-core/modules/untar/meta.yml
index e877a97..d426919 100644
--- a/modules/nf-core/modules/untar/meta.yml
+++ b/modules/nf-core/modules/untar/meta.yml
@@ -10,11 +10,21 @@ tools:
       documentation: https://www.gnu.org/software/tar/manual/
       licence: ["GPL-3.0-or-later"]
 input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
   - archive:
       type: file
       description: File to be untar
       pattern: "*.{tar}.{gz}"
 output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
   - untar:
       type: file
       description:
diff --git a/subworkflows/local/db_check.nf b/subworkflows/local/db_check.nf
index 6f061d7..641108d 100644
--- a/subworkflows/local/db_check.nf
+++ b/subworkflows/local/db_check.nf
@@ -3,6 +3,7 @@
 //
 
 include { DATABASE_CHECK } from '../../modules/local/database_check'
+include { UNTAR          } from '../../modules/nf-core/modules/untar/main'
 
 workflow DB_CHECK {
     take:
@@ -17,19 +18,19 @@ workflow DB_CHECK {
         .dump(tag: "db_split_csv_out")
         .map { create_db_channels(it) }
         .dump(tag: "db_channel_prepped")
-        .set{ dbs }
-
 
     parsed_samplesheet
         .branch {
-            untar: it[0]['db_path'].toString().endsWith(".tar.gz")
+            untar: it[1].toString().endsWith(".tar.gz")
             skip: true
         }
         .set{ ch_dbs_for_untar }
 
+    // TODO Filter to only run UNTAR on DBs of tools actually using?
+    // TODO make optional whether to save
     UNTAR ( ch_dbs_for_untar.untar )
 
-    ch_final_dbs = ch_dbs_for_untar.skip.mix( ch_dbs_untarred )
+    ch_final_dbs = ch_dbs_for_untar.skip.mix( UNTAR.out.untar )
 
     emit:
     dbs = ch_final_dbs                        // channel: [ val(meta), [ db ] ]

From c97de32434d03fdc97c0a5dc9c75cf328b027193 Mon Sep 17 00:00:00 2001
From: ljmesi <37740329+ljmesi@users.noreply.github.com>
Date: Mon, 21 Mar 2022 18:17:08 +0100
Subject: [PATCH 025/789] Make adapter and quality trimming optional

---
 nextflow.config          |  1 +
 workflows/taxprofiler.nf | 12 +++++++++---
 2 files changed, 10 insertions(+), 3 deletions(-)

diff --git a/nextflow.config b/nextflow.config
index 7b897ab..4a3a56d 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -57,6 +57,7 @@ params {
     // FASTQ preprocessing
     fastp_clip_merge           = false
     fastp_exclude_unmerged     = true
+    remove_adapters            = false
 
     // MALT
     run_malt                   = false
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 9e52b59..0e144f3 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -104,9 +104,16 @@ workflow TAXPROFILER {
         FASTQ_PREPROCESSING ( INPUT_CHECK.out.fastq )
     }
 
-    LONGREAD_PREPROCESSING ( INPUT_CHECK.out.nanopore )
+    ch_multiqc_files = Channel.empty()
 
+    if ( params.remove_adapters ) {
+        ch_longreads_preprocessed = LONGREAD_PREPROCESSING ( INPUT_CHECK.out.nanopore ).reads
+                                        .map { it -> [ it[0], [it[1]] ] }
     ch_versions = ch_versions.mix(LONGREAD_PREPROCESSING.out.versions.first())
+        ch_multiqc_files = ch_multiqc_files.mix(LONGREAD_PREPROCESSING.out.mqc)
+    } else {
+        ch_longreads_preprocessed = INPUT_CHECK.out.nanopore
+    }
 
     //
     // PERFORM RUN MERGING
@@ -138,6 +145,7 @@ workflow TAXPROFILER {
 
     // output [DUMP: reads_plus_db] [['id':'2612', 'run_accession':'combined', 'instrument_platform':'ILLUMINA', 'single_end':1], <reads_path>/2612.merged.fastq.gz, ['tool':'malt', 'db_name':'mal95', 'db_params':'"-id 90"'], <db_path>/malt90]
     ch_input_for_profiling = ch_reads_for_profiling
+            .mix( ch_longreads_preprocessed )
             .combine(DB_CHECK.out.dbs)
             .dump(tag: "reads_plus_db")
             .branch {
@@ -189,13 +197,11 @@ workflow TAXPROFILER {
     workflow_summary    = WorkflowTaxprofiler.paramsSummaryMultiqc(workflow, summary_params)
     ch_workflow_summary = Channel.value(workflow_summary)
 
-    ch_multiqc_files = Channel.empty()
     ch_multiqc_files = ch_multiqc_files.mix(Channel.from(ch_multiqc_config))
     ch_multiqc_files = ch_multiqc_files.mix(ch_multiqc_custom_config.collect().ifEmpty([]))
     ch_multiqc_files = ch_multiqc_files.mix(ch_workflow_summary.collectFile(name: 'workflow_summary_mqc.yaml'))
     ch_multiqc_files = ch_multiqc_files.mix(CUSTOM_DUMPSOFTWAREVERSIONS.out.mqc_yml.collect())
     ch_multiqc_files = ch_multiqc_files.mix(FASTQC.out.zip.collect{it[1]}.ifEmpty([]))
-    ch_multiqc_files = ch_multiqc_files.mix(LONGREAD_PREPROCESSING.out.mqc)
     if (params.fastp_clip_merge) {
         ch_multiqc_files = ch_multiqc_files.mix(FASTQ_PREPROCESSING.out.mqc)
     }

From f6fe26de466446379f49ba00dd80eb995bafd0bb Mon Sep 17 00:00:00 2001
From: ljmesi <37740329+ljmesi@users.noreply.github.com>
Date: Mon, 21 Mar 2022 18:25:56 +0100
Subject: [PATCH 026/789] Rename shortread subworkflow to be more consistent

---
 .../{preprocessing.nf => shortread_preprocessing.nf}      | 0
 workflows/taxprofiler.nf                                  | 8 ++++----
 2 files changed, 4 insertions(+), 4 deletions(-)
 rename subworkflows/local/{preprocessing.nf => shortread_preprocessing.nf} (100%)

diff --git a/subworkflows/local/preprocessing.nf b/subworkflows/local/shortread_preprocessing.nf
similarity index 100%
rename from subworkflows/local/preprocessing.nf
rename to subworkflows/local/shortread_preprocessing.nf
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 0e144f3..22c7518 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -39,7 +39,7 @@ ch_multiqc_custom_config = params.multiqc_config ? Channel.fromPath(params.multi
 include { INPUT_CHECK         } from '../subworkflows/local/input_check'
 
 include { DB_CHECK            } from '../subworkflows/local/db_check'
-include { FASTQ_PREPROCESSING } from '../subworkflows/local/preprocessing'
+include { SHORTREAD_PREPROCESSING } from '../subworkflows/local/shortread_preprocessing'
 include { LONGREAD_PREPROCESSING } from '../subworkflows/local/longread_preprocessing'
 
 /*
@@ -101,7 +101,7 @@ workflow TAXPROFILER {
     // PERFORM PREPROCESSING
     //
     if ( params.fastp_clip_merge ) {
-        FASTQ_PREPROCESSING ( INPUT_CHECK.out.fastq )
+        SHORTREAD_PREPROCESSING ( INPUT_CHECK.out.fastq )
     }
 
     ch_multiqc_files = Channel.empty()
@@ -118,7 +118,7 @@ workflow TAXPROFILER {
     //
     // PERFORM RUN MERGING
     //
-    ch_processed_for_combine = FASTQ_PREPROCESSING.out.reads
+    ch_processed_for_combine = SHORTREAD_PREPROCESSING.out.reads
         .dump(tag: "prep_for_combine_grouping")
         .map {
             meta, reads ->
@@ -203,7 +203,7 @@ workflow TAXPROFILER {
     ch_multiqc_files = ch_multiqc_files.mix(CUSTOM_DUMPSOFTWAREVERSIONS.out.mqc_yml.collect())
     ch_multiqc_files = ch_multiqc_files.mix(FASTQC.out.zip.collect{it[1]}.ifEmpty([]))
     if (params.fastp_clip_merge) {
-        ch_multiqc_files = ch_multiqc_files.mix(FASTQ_PREPROCESSING.out.mqc)
+        ch_multiqc_files = ch_multiqc_files.mix(SHORTREAD_PREPROCESSING.out.mqc)
     }
     if (params.run_kraken2) {
         ch_multiqc_files = ch_multiqc_files.mix(KRAKEN2_KRAKEN2.out.txt.collect{it[1]}.ifEmpty([]))

From 4940ec57ffee76378b9bfe8dcff1d73f3097846e Mon Sep 17 00:00:00 2001
From: ljmesi <37740329+ljmesi@users.noreply.github.com>
Date: Mon, 21 Mar 2022 18:26:26 +0100
Subject: [PATCH 027/789] Remove unnecessary extra point

---
 README.md | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/README.md b/README.md
index 622b8de..d454a9b 100644
--- a/README.md
+++ b/README.md
@@ -30,11 +30,10 @@ On release, automated continuous integration tests run the pipeline on a full-si
 
 1. Read QC ([`FastQC`](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/))
 2. Performs optional read pre-processing
-   - Adapter clipping and merging
+   - Adapter clipping and merging (short, and nanopore reads)
    - Low complexity filtering
    - Host read removal
    - Run merging
-   - Adapter and quality trimming of Nanopore reads
 3. Performs taxonomic profiling a choice of:
    - Kraken2
    - MetaPhlAn3

From 5b1b48e59e17d271d03450daca083dd8cec502af Mon Sep 17 00:00:00 2001
From: ljmesi <37740329+ljmesi@users.noreply.github.com>
Date: Mon, 21 Mar 2022 18:29:47 +0100
Subject: [PATCH 028/789] Update subworkflow name to be more consistent

---
 subworkflows/local/shortread_preprocessing.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/shortread_preprocessing.nf b/subworkflows/local/shortread_preprocessing.nf
index 5832824..406c198 100644
--- a/subworkflows/local/shortread_preprocessing.nf
+++ b/subworkflows/local/shortread_preprocessing.nf
@@ -7,7 +7,7 @@ include { FASTP as FASTP_SINGLE       } from '../../modules/nf-core/modules/fast
 include { FASTP as FASTP_PAIRED       } from '../../modules/nf-core/modules/fastp/main'
 include { FASTQC as FASTQC_POST       } from '../../modules/nf-core/modules/fastqc/main'
 
-workflow FASTQ_PREPROCESSING {
+workflow SHORTREAD_PREPROCESSING {
     take:
     reads // file: /path/to/samplesheet.csv
 

From 80129985424b214ee22213a8db7cc139e2793ff5 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 21 Mar 2022 19:52:50 +0100
Subject: [PATCH 029/789] Make parameter naming more consistent for clipmerge

---
 conf/modules.config                           |  5 ++---
 nextflow.config                               |  6 ++---
 subworkflows/local/shortread_preprocessing.nf |  2 +-
 workflows/taxprofiler.nf                      | 22 ++++++++++++-------
 4 files changed, 20 insertions(+), 15 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 050772e..c09a011 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -41,7 +41,7 @@ process {
         // TODO also include option to NOT merge
         ext.args   = [
             { ${meta.single_end} } == 0 ? "-m" : '',
-            params.fastp_exclude_unmerged ? '' : "--include_unmerged"
+            params.shortread_excludeunmerged ? '' : "--include_unmerged"
         ].join(' ').trim()
         publishDir = [
             path: { "${params.outdir}/fastp" },
@@ -84,7 +84,7 @@ process {
             pattern: '*.{rma6,tab,text,sam,log}'
         ]
         ext.args = { "${meta.db_params}" }
-        ext.when = params.run_malt
+        ext.prefix = { "${meta.id}-${meta.db_name}" }
     }
 
     withName: KRAKEN2_KRAKEN2 {
@@ -94,7 +94,6 @@ process {
             pattern: '.{fastq.gz,txt}'
         ]
         ext.args = { "${meta.db_params}" }
-        ext.when = params.run_kraken2
         ext.prefix = { "${meta.id}-${meta.db_name}" }
     }
 
diff --git a/nextflow.config b/nextflow.config
index 4a3a56d..5f7aec6 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -55,9 +55,9 @@ params {
     databases = null
 
     // FASTQ preprocessing
-    fastp_clip_merge           = false
-    fastp_exclude_unmerged     = true
-    remove_adapters            = false
+    shortread_clipmerge           = false
+    shortread_excludeunmerged        = true
+    longread_clip                 = false
 
     // MALT
     run_malt                   = false
diff --git a/subworkflows/local/shortread_preprocessing.nf b/subworkflows/local/shortread_preprocessing.nf
index 406c198..d996a76 100644
--- a/subworkflows/local/shortread_preprocessing.nf
+++ b/subworkflows/local/shortread_preprocessing.nf
@@ -23,7 +23,7 @@ workflow SHORTREAD_PREPROCESSING {
     // TODO move to subworkflow
 
 
-    if ( params.fastp_clip_merge ) {
+    if ( params.shortread_clipmerge ) {
 
         ch_input_for_fastp = reads
                                 .dump(tag: "pre-fastp_branch")
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 22c7518..4aa0684 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -100,17 +100,14 @@ workflow TAXPROFILER {
     //
     // PERFORM PREPROCESSING
     //
-    if ( params.fastp_clip_merge ) {
+    if ( params.shortread_clipmerge ) {
         SHORTREAD_PREPROCESSING ( INPUT_CHECK.out.fastq )
     }
 
-    ch_multiqc_files = Channel.empty()
-
-    if ( params.remove_adapters ) {
+    if ( params.longread_clip ) {
         ch_longreads_preprocessed = LONGREAD_PREPROCESSING ( INPUT_CHECK.out.nanopore ).reads
                                         .map { it -> [ it[0], [it[1]] ] }
     ch_versions = ch_versions.mix(LONGREAD_PREPROCESSING.out.versions.first())
-        ch_multiqc_files = ch_multiqc_files.mix(LONGREAD_PREPROCESSING.out.mqc)
     } else {
         ch_longreads_preprocessed = INPUT_CHECK.out.nanopore
     }
@@ -187,9 +184,13 @@ workflow TAXPROFILER {
     //
     // RUN PROFILING
     //
-    MALT_RUN ( ch_input_for_malt.reads, params.malt_mode, ch_input_for_malt.db )
-    KRAKEN2_KRAKEN2 ( ch_input_for_kraken2.reads, ch_input_for_kraken2.db  )
+    if ( params.run_malt ) {
+        MALT_RUN ( ch_input_for_malt.reads, params.malt_mode, ch_input_for_malt.db )
+    }
 
+    if ( params.run_kraken2 ) {
+        KRAKEN2_KRAKEN2 ( ch_input_for_kraken2.reads, ch_input_for_kraken2.db  )
+    }
 
     //
     // MODULE: MultiQC
@@ -197,14 +198,19 @@ workflow TAXPROFILER {
     workflow_summary    = WorkflowTaxprofiler.paramsSummaryMultiqc(workflow, summary_params)
     ch_workflow_summary = Channel.value(workflow_summary)
 
+    ch_multiqc_files = Channel.empty()
     ch_multiqc_files = ch_multiqc_files.mix(Channel.from(ch_multiqc_config))
     ch_multiqc_files = ch_multiqc_files.mix(ch_multiqc_custom_config.collect().ifEmpty([]))
     ch_multiqc_files = ch_multiqc_files.mix(ch_workflow_summary.collectFile(name: 'workflow_summary_mqc.yaml'))
     ch_multiqc_files = ch_multiqc_files.mix(CUSTOM_DUMPSOFTWAREVERSIONS.out.mqc_yml.collect())
     ch_multiqc_files = ch_multiqc_files.mix(FASTQC.out.zip.collect{it[1]}.ifEmpty([]))
-    if (params.fastp_clip_merge) {
+
+    if (params.shortread_clipmerge) {
         ch_multiqc_files = ch_multiqc_files.mix(SHORTREAD_PREPROCESSING.out.mqc)
     }
+    if (params.longread_clip) {
+        ch_multiqc_files = ch_multiqc_files.mix(LONGREAD_PREPROCESSING.out.mqc)
+    }
     if (params.run_kraken2) {
         ch_multiqc_files = ch_multiqc_files.mix(KRAKEN2_KRAKEN2.out.txt.collect{it[1]}.ifEmpty([]))
         ch_versions = ch_versions.mix(KRAKEN2_KRAKEN2.out.versions.first())

From 07eed435c628ae0518246aa31e87d81fb02c69ad Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 21 Mar 2022 19:54:51 +0100
Subject: [PATCH 030/789] Replace set with explicity assignment

---
 subworkflows/local/db_check.nf | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/subworkflows/local/db_check.nf b/subworkflows/local/db_check.nf
index 641108d..890e373 100644
--- a/subworkflows/local/db_check.nf
+++ b/subworkflows/local/db_check.nf
@@ -19,12 +19,11 @@ workflow DB_CHECK {
         .map { create_db_channels(it) }
         .dump(tag: "db_channel_prepped")
 
-    parsed_samplesheet
+    ch_dbs_for_untar = parsed_samplesheet
         .branch {
             untar: it[1].toString().endsWith(".tar.gz")
             skip: true
         }
-        .set{ ch_dbs_for_untar }
 
     // TODO Filter to only run UNTAR on DBs of tools actually using?
     // TODO make optional whether to save

From 81bfb629cadfa76ac6f639f320f3bd0fb0ae4dfd Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 21 Mar 2022 20:28:09 +0100
Subject: [PATCH 031/789] Add working basic test to begin

---
 .github/workflows/ci.yml          |  1 +
 conf/modules.config               | 16 ++++++++++++++++
 conf/test.config                  |  8 +++++++-
 subworkflows/local/input_check.nf |  6 +++---
 workflows/taxprofiler.nf          | 13 ++++++++-----
 5 files changed, 35 insertions(+), 9 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 033eb63..5fe2777 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -48,3 +48,4 @@ jobs:
         # Remember that you can parallelise this by using strategy.matrix
         run: |
           nextflow run ${GITHUB_WORKSPACE} -profile test,docker --outdir ./results
+        # TODO Add test that runs with pre-downloaded and decompressed databases
diff --git a/conf/modules.config b/conf/modules.config
index ab8f021..b9c1008 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -26,6 +26,22 @@ process {
         ]
     }
 
+    withName: DATABASE_CHECK {
+        publishDir = [
+            path: { "${params.outdir}/pipeline_info" },
+            mode: params.publish_dir_mode,
+            saveAs: { filename -> filename.equals('versions.yml') ? null : filename }
+        ]
+    }
+
+    withName: UNTAR {
+       publishDir = [
+            path: { "${params.outdir}/databases" },
+            mode: params.publish_dir_mode,
+            saveAs: { filename -> filename.equals('versions.yml') ? null : filename }
+        ]
+    }
+
     withName: FASTQC {
         ext.args = '--quiet'
         ext.prefix = { "${meta.id}_${meta.run_accession}_raw" }
diff --git a/conf/test.config b/conf/test.config
index 51f3bb6..42d8de6 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -22,6 +22,12 @@ params {
     // Input data
     // TODO nf-core: Specify the paths to your test data on nf-core/test-datasets
     // TODO nf-core: Give any required params for the test so that command line flags are not needed
-    input  = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
+    input               = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
+    outdir              = "./results"
+    // TODO replace with official once ready
+    databases           = 'https://raw.githubusercontent.com/jfy133/nf-core-test-datasets/taxprofiler/database.csv'
+    run_kraken2         = true
+    run_malt            = true
+    shortread_clipmerge = true
 
 }
diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index 67dadc2..4501386 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -30,7 +30,7 @@ workflow INPUT_CHECK {
         .set { nanopore }
 
     parsed_samplesheet.fasta
-        .map { create_fasta_channels(it) }
+        .map { create_fasta_channel(it) }
         .dump(tag: "fasta_channel_init")
         .set { fasta }
 
@@ -42,7 +42,7 @@ workflow INPUT_CHECK {
 }
 
 // Function to get list of [ meta, [ fastq_1, fastq_2 ] ]
-def create_fastq_channels(LinkedHashMap row) {
+def create_fastq_channel(LinkedHashMap row) {
     // create meta map
     def meta = [:]
     meta.id                     = row.sample
@@ -74,7 +74,7 @@ def create_fastq_channels(LinkedHashMap row) {
 }
 
 // Function to get list of [ meta, fasta ]
-def create_fasta_channels(LinkedHashMap row) {
+def create_fasta_channel(LinkedHashMap row) {
     def meta = [:]
     meta.id                     = row.sample
     meta.run_accession          = row.run_accession
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 4aa0684..6fc5450 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -101,7 +101,9 @@ workflow TAXPROFILER {
     // PERFORM PREPROCESSING
     //
     if ( params.shortread_clipmerge ) {
-        SHORTREAD_PREPROCESSING ( INPUT_CHECK.out.fastq )
+        ch_shortreads_preprocessed = SHORTREAD_PREPROCESSING ( INPUT_CHECK.out.fastq ).reads
+    } else {
+        ch_shortreads_preprocessed = INPUT_CHECK.out.fastq
     }
 
     if ( params.longread_clip ) {
@@ -113,9 +115,10 @@ workflow TAXPROFILER {
     }
 
     //
-    // PERFORM RUN MERGING
+    // PERFORM SHORT READ RUN MERGING
+    // TODO: Check not necessary for long reads too?
     //
-    ch_processed_for_combine = SHORTREAD_PREPROCESSING.out.reads
+    ch_processed_for_combine = ch_shortreads_preprocessed
         .dump(tag: "prep_for_combine_grouping")
         .map {
             meta, reads ->
@@ -140,7 +143,7 @@ workflow TAXPROFILER {
     // COMBINE READS WITH POSSIBLE DATABASES
     //
 
-    // output [DUMP: reads_plus_db] [['id':'2612', 'run_accession':'combined', 'instrument_platform':'ILLUMINA', 'single_end':1], <reads_path>/2612.merged.fastq.gz, ['tool':'malt', 'db_name':'mal95', 'db_params':'"-id 90"'], <db_path>/malt90]
+    // e.g. output [DUMP: reads_plus_db] [['id':'2612', 'run_accession':'combined', 'instrument_platform':'ILLUMINA', 'single_end':1], <reads_path>/2612.merged.fastq.gz, ['tool':'malt', 'db_name':'mal95', 'db_params':'"-id 90"'], <db_path>/malt90]
     ch_input_for_profiling = ch_reads_for_profiling
             .mix( ch_longreads_preprocessed )
             .combine(DB_CHECK.out.dbs)
@@ -152,7 +155,7 @@ workflow TAXPROFILER {
             }
 
     //
-    // PREP PROFILER INPUT CHANNELS ON PER TOOL BASIS
+    // PREPARE PROFILER INPUT CHANNELS
     //
 
     // We groupTuple to have all samples in one channel for MALT as database

From 358b89a4c6d18f195c7aae3115e28080cfa32b3e Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 21 Mar 2022 20:30:29 +0100
Subject: [PATCH 032/789] Linting

---
 conf/modules.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/conf/modules.config b/conf/modules.config
index b9c1008..29a5135 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -35,7 +35,7 @@ process {
     }
 
     withName: UNTAR {
-       publishDir = [
+        publishDir = [
             path: { "${params.outdir}/databases" },
             mode: params.publish_dir_mode,
             saveAs: { filename -> filename.equals('versions.yml') ? null : filename }

From 48b6ef508dbb0d0a35b91aa8e670616f640b36ae Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 23 Mar 2022 10:06:01 +0100
Subject: [PATCH 033/789] Update path to samplesheet

---
 conf/test.config | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/conf/test.config b/conf/test.config
index 42d8de6..2e08499 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -24,8 +24,7 @@ params {
     // TODO nf-core: Give any required params for the test so that command line flags are not needed
     input               = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
     outdir              = "./results"
-    // TODO replace with official once ready
-    databases           = 'https://raw.githubusercontent.com/jfy133/nf-core-test-datasets/taxprofiler/database.csv'
+    databases           = 'https://raw.githubusercontent.com/nf-core/nf-core-test-datasets/taxprofiler/database.csv'
     run_kraken2         = true
     run_malt            = true
     shortread_clipmerge = true

From 038a8d106a3e027d48c781ab15197270ec38e7a5 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Wed, 23 Mar 2022 11:25:47 +0100
Subject: [PATCH 034/789] Fix test with correct URL

---
 conf/test.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/conf/test.config b/conf/test.config
index 2e08499..5924d7a 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -24,7 +24,7 @@ params {
     // TODO nf-core: Give any required params for the test so that command line flags are not needed
     input               = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
     outdir              = "./results"
-    databases           = 'https://raw.githubusercontent.com/nf-core/nf-core-test-datasets/taxprofiler/database.csv'
+    databases           = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
     run_kraken2         = true
     run_malt            = true
     shortread_clipmerge = true

From 3ff54e620e9b9212a3bad5c687769b8c37e5b89d Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Thu, 24 Mar 2022 12:51:45 +0100
Subject: [PATCH 035/789] Add centrifuge classification

---
 conf/modules.config                         | 10 +++
 conf/test.config                            |  1 +
 modules.json                                |  5 +-
 modules/nf-core/modules/centrifuge/main.nf  | 63 ++++++++++++++++++
 modules/nf-core/modules/centrifuge/meta.yml | 73 +++++++++++++++++++++
 nextflow.config                             |  8 ++-
 subworkflows/local/db_check.nf              |  2 +-
 subworkflows/local/input_check.nf           |  3 +-
 workflows/taxprofiler.nf                    | 22 +++++--
 9 files changed, 179 insertions(+), 8 deletions(-)
 create mode 100644 modules/nf-core/modules/centrifuge/main.nf
 create mode 100644 modules/nf-core/modules/centrifuge/meta.yml

diff --git a/conf/modules.config b/conf/modules.config
index 29a5135..20e6bba 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -121,4 +121,14 @@ process {
         ]
     }
 
+    withName: CENTRIFUGE {
+        publishDir = [
+            path: { "${params.outdir}/centrifuge/${meta.db_name}" },
+            mode: 'copy',
+            pattern: '*.{fastq.gz,txt}'
+        ]
+        ext.args = { "${meta.db_params}" }
+        ext.prefix = { "${meta.id}-${meta.db_name}" }
+    }
+
 }
diff --git a/conf/test.config b/conf/test.config
index 42d8de6..6fca9c0 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -29,5 +29,6 @@ params {
     run_kraken2         = true
     run_malt            = true
     shortread_clipmerge = true
+    run_centrifuge      = true
 
 }
diff --git a/modules.json b/modules.json
index 673a69b..b9dfc87 100644
--- a/modules.json
+++ b/modules.json
@@ -29,6 +29,9 @@
             "porechop": {
                 "git_sha": "e20e57f90b6787ac9a010a980cf6ea98bd990046"
             }
+            "centrifuge": {
+                "git_sha": "ea41a8a6f761b9993d857570e872abaae3fea555"
+            }
         }
     }
-}
\ No newline at end of file
+}
diff --git a/modules/nf-core/modules/centrifuge/main.nf b/modules/nf-core/modules/centrifuge/main.nf
new file mode 100644
index 0000000..7eb566d
--- /dev/null
+++ b/modules/nf-core/modules/centrifuge/main.nf
@@ -0,0 +1,63 @@
+process CENTRIFUGE {
+    tag "$meta.id"
+    label 'process_high'
+
+    conda (params.enable_conda ? "bioconda::centrifuge=1.0.4_beta" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/centrifuge:1.0.4_beta--h9a82719_6' :
+        'quay.io/biocontainers/centrifuge:1.0.4_beta--h9a82719_6' }"
+
+    input:
+    tuple val(meta), path(reads)
+    path db
+    val save_unaligned
+    val save_aligned
+    val sam_format
+
+    output:
+    tuple val(meta), path('*report.txt')                 , emit: report
+    tuple val(meta), path('*results.txt')                , emit: results
+    tuple val(meta), path('*kreport.txt')                , emit: kreport
+    tuple val(meta), path('*.sam')                       , optional: true, emit: sam
+    tuple val(meta), path('*.mapped.fastq{,.1,.2}.gz')   , optional: true, emit: fastq_mapped
+    tuple val(meta), path('*.unmapped.fastq{,.1,.2}.gz') , optional: true, emit: fastq_unmapped
+    path "versions.yml"                                  , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    def paired = meta.single_end ? "-U ${reads}" :  "-1 ${reads[0]} -2 ${reads[1]}"
+    def db_name = db.toString().replace(".tar.gz","")
+    def unaligned = ''
+    def aligned = ''
+    if (meta.single_end) {
+        unaligned = save_unaligned ? "--un-gz ${prefix}.unmapped.fastq.gz" : ''
+        aligned = save_aligned ? "--al-gz ${prefix}.mapped.fastq.gz" : ''
+    } else {
+        unaligned = save_unaligned ? "--un-conc-gz ${prefix}.unmapped.fastq.gz" : ''
+        aligned = save_aligned ? "--al-conc-gz ${prefix}.mapped.fastq.gz" : ''
+    }
+    def sam_output = sam_format ? "--out-fmt 'sam'" : ''
+    """
+    tar -xf $db
+    centrifuge \\
+        -x $db_name \\
+        -p $task.cpus \\
+        $paired \\
+        --report-file ${prefix}.report.txt \\
+        -S ${prefix}.results.txt \\
+        $unaligned \\
+        $aligned \\
+        $sam_output \\
+        $args
+    centrifuge-kreport -x $db_name ${prefix}.results.txt > ${prefix}.kreport.txt
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        centrifuge: \$( centrifuge --version  | sed -n 1p | sed 's/^.*centrifuge-class version //')
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/modules/centrifuge/meta.yml b/modules/nf-core/modules/centrifuge/meta.yml
new file mode 100644
index 0000000..3adf0e2
--- /dev/null
+++ b/modules/nf-core/modules/centrifuge/meta.yml
@@ -0,0 +1,73 @@
+name: centrifuge
+description: Classifies metagenomic sequence data
+keywords:
+  - classify
+  - metagenomics
+  - fastq
+  - db
+tools:
+  - centrifuge:
+      description: Centrifuge is a classifier for metagenomic sequences.
+      homepage: https://ccb.jhu.edu/software/centrifuge/
+      documentation: https://ccb.jhu.edu/software/centrifuge/manual.shtml
+      doi: 10.1101/gr.210641.116
+      licence: ["GPL v3"]
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - reads:
+      type: file
+      description: |
+        List of input FastQ files of size 1 and 2 for single-end and paired-end data,
+        respectively.
+  - db:
+      type: directory
+      description: Centrifuge database in .tar.gz format
+      pattern: "*.tar.gz"
+  - save_unaligned:
+      type: value
+      description: If true unmapped fastq files are saved
+  - save_aligned:
+      type: value
+      description: If true mapped fastq files are saved
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - report:
+      type: file
+      description: |
+        File containing a classification summary
+      pattern: "*.{report.txt}"
+  - results:
+      type: file
+      description: |
+        File containing classification results
+      pattern: "*.{results.txt}"
+  - kreport:
+      type: file
+      description: |
+        File containing kraken-style report from centrifuge
+        out files.
+      pattern: "*.{kreport.txt}"
+  - fastq_unmapped:
+      type: file
+      description: Unmapped fastq files
+      pattern: "*.unmapped.fastq.gz"
+  - fastq_mapped:
+      type: file
+      description: Mapped fastq files
+      pattern: "*.mapped.fastq.gz"
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+authors:
+  - "@sofstam"
+  - "@jfy133"
+  - "@sateeshperi"
diff --git a/nextflow.config b/nextflow.config
index 5f7aec6..5bd8f39 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -56,7 +56,7 @@ params {
 
     // FASTQ preprocessing
     shortread_clipmerge           = false
-    shortread_excludeunmerged        = true
+    shortread_excludeunmerged     = true
     longread_clip                 = false
 
     // MALT
@@ -65,6 +65,12 @@ params {
 
     // kraken2
     run_kraken2                = false
+
+    // centrifuge
+    run_centrifuge             = false
+    save_unaligned             = false
+    save_aligned               = false
+    sam_format                 = false
 }
 
 // Load base.config by default for all pipelines
diff --git a/subworkflows/local/db_check.nf b/subworkflows/local/db_check.nf
index 890e373..28268c3 100644
--- a/subworkflows/local/db_check.nf
+++ b/subworkflows/local/db_check.nf
@@ -21,7 +21,7 @@ workflow DB_CHECK {
 
     ch_dbs_for_untar = parsed_samplesheet
         .branch {
-            untar: it[1].toString().endsWith(".tar.gz")
+            untar: it[1].toString().endsWith(".tar.gz") && it[0]['tool']!="centrifuge"
             skip: true
         }
 
diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index 4501386..b64e31e 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -67,8 +67,9 @@ def create_fastq_channel(LinkedHashMap row) {
             if (!file(row.fastq_2).exists()) {
                 exit 1, "ERROR: Please check input samplesheet -> Read 2 FastQ file does not exist!\n${row.fastq_2}"
             }
-            fastq_meta = [ meta, [ file(row.fastq_1), file(row.fastq_2) ] ]
+         fastq_meta = [ meta, [ file(row.fastq_1), file(row.fastq_2) ] ]
         }
+
     }
     return fastq_meta
 }
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 6fc5450..ea3ef18 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -58,7 +58,7 @@ include { CUSTOM_DUMPSOFTWAREVERSIONS } from '../modules/nf-core/modules/custom/
 include { CAT_FASTQ                   } from '../modules/nf-core/modules/cat/fastq/main'
 include { MALT_RUN                    } from '../modules/nf-core/modules/malt/run/main'
 include { KRAKEN2_KRAKEN2             } from '../modules/nf-core/modules/kraken2/kraken2/main'
-
+include { CENTRIFUGE                  } from '../modules/nf-core/modules/centrifuge/main'
 
 /*
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
@@ -149,9 +149,10 @@ workflow TAXPROFILER {
             .combine(DB_CHECK.out.dbs)
             .dump(tag: "reads_plus_db")
             .branch {
-                malt:    it[2]['tool'] == 'malt'
-                kraken2: it[2]['tool'] == 'kraken2'
-                unknown: true
+                malt:       it[2]['tool'] == 'malt'
+                kraken2:    it[2]['tool'] == 'kraken2'
+                centrifuge: it[2]['tool'] == 'centrifuge'
+                unknown:    true
             }
 
     //
@@ -184,6 +185,15 @@ workflow TAXPROFILER {
                                     db: it[3]
                             }
 
+    // We can run centrifuge one-by-one sample-wise
+    ch_input_for_centrifuge =  ch_input_for_profiling.centrifuge
+                               .dump(tag: "input for centrifuge")
+                               .multiMap {
+                                    it ->
+                                        reads: [ it[0] + it[2], it[1] ]
+                                        db: it[3]
+                                }
+
     //
     // RUN PROFILING
     //
@@ -195,6 +205,10 @@ workflow TAXPROFILER {
         KRAKEN2_KRAKEN2 ( ch_input_for_kraken2.reads, ch_input_for_kraken2.db  )
     }
 
+    if ( params.run_centrifuge ) {
+        CENTRIFUGE ( ch_input_for_centrifuge.reads, ch_input_for_centrifuge.db, params.save_unaligned, params.save_aligned, params.sam_format  )
+    }
+
     //
     // MODULE: MultiQC
     //

From e3be393f16025f76cb8bc2389ccb2eb841b569f5 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 24 Mar 2022 14:18:15 +0100
Subject: [PATCH 036/789] Fix broken json

---
 modules.json | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/modules.json b/modules.json
index c24ff6a..b78ba31 100644
--- a/modules.json
+++ b/modules.json
@@ -26,9 +26,10 @@
             },
             "untar": {
                 "git_sha": "e080f4c8acf5760039ed12ec1f206170f3f9a918"
+            },
             "porechop": {
                 "git_sha": "e20e57f90b6787ac9a010a980cf6ea98bd990046"
             }
         }
     }
-}
+}
\ No newline at end of file

From 203cd2e7d39936dec20d75901fe6afc94b7f8a6f Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 24 Mar 2022 14:31:53 +0100
Subject: [PATCH 037/789] Prettier

---
 README.md | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/README.md b/README.md
index ea659bb..0c1d3c7 100644
--- a/README.md
+++ b/README.md
@@ -17,6 +17,7 @@
 ## Introduction
 
 <!-- TODO nf-core: Write a 1-2 sentence summary of what data the pipeline is for and what it does -->
+
 **nf-core/taxprofiler** is a bioinformatics best-practice analysis pipeline for taxonomic profiling of shotgun metagenomic data. It allows for in-parallel profiling against multiple profiling tools and databases and produces standardised output tables.
 
 The pipeline is built using [Nextflow](https://www.nextflow.io), a workflow tool to run tasks across multiple compute infrastructures in a very portable manner. It uses Docker/Singularity containers making installation trivial and results highly reproducible. The [Nextflow DSL2](https://www.nextflow.io/docs/latest/dsl2.html) implementation of this pipeline uses one container per process which makes it much easier to maintain and update software dependencies. Where possible, these processes have been submitted to and installed from [nf-core/modules](https://github.com/nf-core/modules) in order to make them available to all nf-core pipelines, and to everyone within the Nextflow community!
@@ -44,7 +45,7 @@ On release, automated continuous integration tests run the pipeline on a full-si
    - Kaiju
    - mOTUs
 4. Perform optional post-processing with:
-    - bracken
+   - bracken
 5. Standardises output tables
 6. Present QC for raw reads ([`MultiQC`](http://multiqc.info/))
 

From cc9368ee527243fc1809f891154ae0eb569887f3 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 24 Mar 2022 15:35:09 +0100
Subject: [PATCH 038/789] Prettier linting and update schema

---
 nextflow.config          |  2 +-
 nextflow_schema.json     | 48 ++++++++++++++++++++++++++++++++++++----
 workflows/taxprofiler.nf |  3 ++-
 3 files changed, 47 insertions(+), 6 deletions(-)

diff --git a/nextflow.config b/nextflow.config
index 5f7aec6..cc77a99 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -56,7 +56,7 @@ params {
 
     // FASTQ preprocessing
     shortread_clipmerge           = false
-    shortread_excludeunmerged        = true
+    shortread_excludeunmerged     = true
     longread_clip                 = false
 
     // MALT
diff --git a/nextflow_schema.json b/nextflow_schema.json
index de1e515..03910e9 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,7 +10,10 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["input", "outdir"],
+            "required": [
+                "input",
+                "outdir"
+            ],
             "properties": {
                 "input": {
                     "type": "string",
@@ -173,7 +176,14 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
+                    "enum": [
+                        "symlink",
+                        "rellink",
+                        "link",
+                        "copy",
+                        "copyNoFollow",
+                        "move"
+                    ],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -256,5 +266,35 @@
         {
             "$ref": "#/definitions/generic_options"
         }
-    ]
-}
+    ],
+    "properties": {
+        "databases": {
+            "type": "string",
+            "default": null
+        },
+        "shortread_clipmerge": {
+            "type": "string",
+            "default": "false"
+        },
+        "shortread_excludeunmerged": {
+            "type": "string",
+            "default": "true"
+        },
+        "longread_clip": {
+            "type": "string",
+            "default": "false"
+        },
+        "run_malt": {
+            "type": "string",
+            "default": "false"
+        },
+        "malt_mode": {
+            "type": "string",
+            "default": "BlastN"
+        },
+        "run_kraken2": {
+            "type": "string",
+            "default": "false"
+        }
+    }
+}
\ No newline at end of file
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 7320922..29058e6 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -88,8 +88,9 @@ workflow TAXPROFILER {
     //
     // MODULE: Run FastQC
     //
+    ch_input_for_fastqc = INPUT_CHECK.out.fastq.mix( INPUT_CHECK.out.nanopore ).dump(tag: "input_to_fastq")
     FASTQC (
-        INPUT_CHECK.out.fastq.mix( INPUT_CHECK.out.nanopore )
+        ch_input_for_fastqc
     )
     ch_versions = ch_versions.mix(FASTQC.out.versions.first())
 

From 494c641fb8ade3f6f6e73c537f699df182b16b9d Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 24 Mar 2022 15:37:42 +0100
Subject: [PATCH 039/789] Prettier

---
 .prettierignore      |  2 ++
 modules.json         |  2 +-
 nextflow_schema.json | 16 +++-------------
 3 files changed, 6 insertions(+), 14 deletions(-)
 create mode 100644 .prettierignore

diff --git a/.prettierignore b/.prettierignore
new file mode 100644
index 0000000..c037321
--- /dev/null
+++ b/.prettierignore
@@ -0,0 +1,2 @@
+testing/
+tests/
diff --git a/modules.json b/modules.json
index b78ba31..9e6428a 100644
--- a/modules.json
+++ b/modules.json
@@ -32,4 +32,4 @@
             }
         }
     }
-}
\ No newline at end of file
+}
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 03910e9..7bb03c3 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,10 +10,7 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": [
-                "input",
-                "outdir"
-            ],
+            "required": ["input", "outdir"],
             "properties": {
                 "input": {
                     "type": "string",
@@ -176,14 +173,7 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": [
-                        "symlink",
-                        "rellink",
-                        "link",
-                        "copy",
-                        "copyNoFollow",
-                        "move"
-                    ],
+                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -297,4 +287,4 @@
             "default": "false"
         }
     }
-}
\ No newline at end of file
+}

From 92a3c8ec8d6e6698f748f154b0dfeaf92fd9d52b Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 24 Mar 2022 15:40:14 +0100
Subject: [PATCH 040/789] Prettier

---
 nextflow_schema.json | 18 +++++++-----------
 1 file changed, 7 insertions(+), 11 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 7bb03c3..9527da4 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -260,31 +260,27 @@
     "properties": {
         "databases": {
             "type": "string",
-            "default": null
+            "default": "None"
         },
         "shortread_clipmerge": {
-            "type": "string",
-            "default": "false"
+            "type": "boolean"
         },
         "shortread_excludeunmerged": {
-            "type": "string",
-            "default": "true"
+            "type": "boolean",
+            "default": true
         },
         "longread_clip": {
-            "type": "string",
-            "default": "false"
+            "type": "boolean"
         },
         "run_malt": {
-            "type": "string",
-            "default": "false"
+            "type": "boolean"
         },
         "malt_mode": {
             "type": "string",
             "default": "BlastN"
         },
         "run_kraken2": {
-            "type": "string",
-            "default": "false"
+            "type": "boolean"
         }
     }
 }

From fafb7e0f6fce56a57f6d375976b3cffe37ebe14b Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Thu, 24 Mar 2022 16:59:12 +0100
Subject: [PATCH 041/789] Update README.md

---
 README.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/README.md b/README.md
index 0c1d3c7..e976f73 100644
--- a/README.md
+++ b/README.md
@@ -1,4 +1,4 @@
-# ![nf-core/taxprofiler](docs/images/nf-core/taxprofiler_logo_light.png#gh-light-mode-only) ![nf-core/taxprofiler](docs/images/nf-core/taxprofiler_logo_dark.png#gh-dark-mode-only)
+# ![nf-core/taxprofiler](docs/images/nf-core-taxprofiler_logo_light.png#gh-light-mode-only) ![nf-core/taxprofiler](docs/images/nf-core-taxprofiler_logo_dark.png#gh-dark-mode-only)
 
 [![GitHub Actions CI Status](https://github.com/nf-core/taxprofiler/workflows/nf-core%20CI/badge.svg)](https://github.com/nf-core/taxprofiler/actions?query=workflow%3A%22nf-core+CI%22)
 [![GitHub Actions Linting Status](https://github.com/nf-core/taxprofiler/workflows/nf-core%20linting/badge.svg)](https://github.com/nf-core/taxprofiler/actions?query=workflow%3A%22nf-core+linting%22)

From 4e93abc7c06b35eae584af4338c8aeaa60b8fcf8 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 25 Mar 2022 14:58:06 +0100
Subject: [PATCH 042/789] Add read improved read preprocessing

---
 conf/modules.config                           | 21 +++++-
 nextflow.config                               | 12 +++-
 nextflow_schema.json                          |  2 +-
 subworkflows/local/shortread_fastp.nf         | 65 +++++++++++++++++++
 subworkflows/local/shortread_preprocessing.nf | 55 ++++------------
 workflows/taxprofiler.nf                      |  2 +
 6 files changed, 107 insertions(+), 50 deletions(-)
 create mode 100644 subworkflows/local/shortread_fastp.nf

diff --git a/conf/modules.config b/conf/modules.config
index 29a5135..36bc626 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -52,12 +52,27 @@ process {
         ]
     }
 
+    withName: FASTQC_PROCESSED {
+        ext.args = '--quiet'
+        ext.prefix = { "${meta.id}_${meta.run_accession}_processed" }
+        publishDir = [
+            path: { "${params.outdir}/fastqc/processed" },
+            mode: 'copy',
+            pattern: '*.html'
+        ]
+    }
+
     withName: FASTP {
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
-        // TODO also include option to NOT merge
         ext.args   = [
-            { ${meta.single_end} } == 0 ? "-m" : '',
-            params.shortread_excludeunmerged ? '' : "--include_unmerged"
+            // collapsing options
+            params.shortread_clipmerge_excludeunmerged ? '' : "--include_unmerged",
+            // trimming options
+            params.shortread_clipmerge_skiptrim ? "--disable_adapter_trimming" : "",
+            params.shortread_adapter1 ? "--adapter_sequence ${params.shortread_adapter1}" : "",
+            !{ ${meta.single_end} } && params.shortread_adapter2 ? "--adapter_sequence_r2 ${params.shortread_adapter2}" : !{ ${meta.single_end} } ? "--detect_adapter_for_pe" : ""
+            // filtering options
+            "--length_required ${params.shortread_clipmerge_minlength}"
         ].join(' ').trim()
         publishDir = [
             path: { "${params.outdir}/fastp" },
diff --git a/nextflow.config b/nextflow.config
index cc77a99..a312d0c 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -55,9 +55,15 @@ params {
     databases = null
 
     // FASTQ preprocessing
-    shortread_clipmerge           = false
-    shortread_excludeunmerged     = true
-    longread_clip                 = false
+    shortread_clipmerge                     = false
+    shortread_clipmerge_tool                = 'fastp'
+    shortread_clipmerge_skiptrim            = false
+    shortread_clipmerge_mergepairs          = false
+    shortread_clipmerge_excludeunmerged     = true
+    shortread_clipmerge_adapter1            = null
+    shortread_clipmerge_adapter2            = null
+    shortread_clipmerge_minlength           = 15
+    longread_clip                           = false
 
     // MALT
     run_malt                   = false
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 9527da4..0fa217f 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -265,7 +265,7 @@
         "shortread_clipmerge": {
             "type": "boolean"
         },
-        "shortread_excludeunmerged": {
+        "shortread_clipmerge_excludeunmerged": {
             "type": "boolean",
             "default": true
         },
diff --git a/subworkflows/local/shortread_fastp.nf b/subworkflows/local/shortread_fastp.nf
new file mode 100644
index 0000000..87aba25
--- /dev/null
+++ b/subworkflows/local/shortread_fastp.nf
@@ -0,0 +1,65 @@
+//
+// Check input samplesheet and get read channels
+//
+
+
+include { FASTP as FASTP_SINGLE       } from '../../modules/nf-core/modules/fastp/main'
+include { FASTP as FASTP_PAIRED       } from '../../modules/nf-core/modules/fastp/main'
+
+workflow SHORTREAD_FASTP {
+    take:
+    reads // file: /path/to/samplesheet.csv
+
+    main:
+    ch_versions = Channel.empty()
+    ch_multiqc_files      = Channel.empty()
+
+    //
+    // STEP: Read clipping and merging
+    //
+    // TODO give option to retain singletons (probably fastp option likely)
+    // TODO move to subworkflow
+
+    ch_input_for_fastp = reads
+                            .dump(tag: "pre-fastp_branch")
+                            .branch{
+                                single: it[0]['single_end'] == true
+                                paired: it[0]['single_end'] == false
+                            }
+
+    ch_input_for_fastp.single.dump(tag: "input_fastp_single")
+    ch_input_for_fastp.paired.dump(tag: "input_fastp_paired")
+
+    FASTP_SINGLE ( ch_input_for_fastp.single, false, false )
+    FASTP_PAIRED ( ch_input_for_fastp.paired, false, params.shortread_clipmerge_mergepairs )
+
+    if ( params.shortread_clipmerge_mergepairs ) {
+        ch_fastp_reads_prepped = FASTP_PAIRED.out.reads_merged
+                                    .mix( FASTP_SINGLE.out.reads )
+                                    .map {
+                                        meta, reads ->
+                                        def meta_new = meta.clone()
+                                        meta_new['single_end'] = 1
+                                        [ meta_new, reads ]
+                                        }
+    } else {
+        ch_fastp_reads_prepped = FASTP_PAIRED.out.reads
+                                    .mix( FASTP_SINGLE.out.reads )
+    }
+
+    ch_versions = ch_versions.mix(FASTP_SINGLE.out.versions.first())
+    ch_versions = ch_versions.mix(FASTP_PAIRED.out.versions.first())
+
+    ch_processed_reads = ch_fastp_reads_prepped.dump(tag: "ch_fastp_reads_prepped")
+
+    ch_multiqc_files = ch_multiqc_files.mix( FASTP_SINGLE.out.json.collect{it[1]} )
+    ch_multiqc_files = ch_multiqc_files.mix( FASTP_PAIRED.out.json.collect{it[1]} )
+
+    ch_multiqc_files.dump(tag: "preprocessing_fastp_mqc_final")
+
+    emit:
+    reads    = ch_processed_reads   // channel: [ val(meta), [ reads ] ]
+    versions = ch_versions          // channel: [ versions.yml ]
+    mqc      = ch_multiqc_files
+}
+
diff --git a/subworkflows/local/shortread_preprocessing.nf b/subworkflows/local/shortread_preprocessing.nf
index d996a76..c31289d 100644
--- a/subworkflows/local/shortread_preprocessing.nf
+++ b/subworkflows/local/shortread_preprocessing.nf
@@ -3,17 +3,16 @@
 //
 
 
-include { FASTP as FASTP_SINGLE       } from '../../modules/nf-core/modules/fastp/main'
-include { FASTP as FASTP_PAIRED       } from '../../modules/nf-core/modules/fastp/main'
-include { FASTQC as FASTQC_POST       } from '../../modules/nf-core/modules/fastqc/main'
+include { SHORTREAD_FASTP             } from './shortread_fastp'
+include { FASTQC as FASTQC_PROCESSED       } from '../../modules/nf-core/modules/fastqc/main'
 
 workflow SHORTREAD_PREPROCESSING {
     take:
     reads // file: /path/to/samplesheet.csv
 
     main:
-    ch_versions = Channel.empty()
-    ch_multiqc_files      = Channel.empty()
+    ch_versions       = Channel.empty()
+    ch_multiqc_files  = Channel.empty()
 
     //
     // STEP: Read clipping and merging
@@ -22,50 +21,20 @@ workflow SHORTREAD_PREPROCESSING {
     // TODO give option to retain singletons (probably fastp option likely)
     // TODO move to subworkflow
 
-
-    if ( params.shortread_clipmerge ) {
-
-        ch_input_for_fastp = reads
-                                .dump(tag: "pre-fastp_branch")
-                                .branch{
-                                    single: it[0]['single_end'] == true
-                                    paired: it[0]['single_end'] == false
-                                }
-
-        ch_input_for_fastp.single.dump(tag: "input_fastp_single")
-        ch_input_for_fastp.paired.dump(tag: "input_fastp_paired")
-
-        FASTP_SINGLE ( ch_input_for_fastp.single, false, false )
-        FASTP_PAIRED ( ch_input_for_fastp.paired, false, true )
-
-        ch_fastp_reads_prepped = FASTP_PAIRED.out.reads_merged
-                                    .mix( FASTP_SINGLE.out.reads )
-                                    .map {
-                                        meta, reads ->
-                                        def meta_new = meta.clone()
-                                        meta_new['single_end'] = 1
-                                        [ meta_new, reads ]
-                                    }
-
-        FASTQC_POST ( ch_fastp_reads_prepped )
-
-        ch_versions = ch_versions.mix(FASTP_SINGLE.out.versions.first())
-        ch_versions = ch_versions.mix(FASTP_PAIRED.out.versions.first())
-
-        ch_processed_reads = ch_fastp_reads_prepped
-
-        ch_multiqc_files = ch_multiqc_files.mix( FASTQC_POST.out.zip.collect{it[1]} )
-        ch_multiqc_files = ch_multiqc_files.mix( FASTP_SINGLE.out.json.collect{it[1]} )
-        ch_multiqc_files = ch_multiqc_files.mix( FASTP_PAIRED.out.json.collect{it[1]} )
-
-        ch_multiqc_files.dump(tag: "preprocessing_mqc_final")
-
+    if ( params.shortread_clipmerge_tool == "fastp" ) {
+        ch_processed_reads = SHORTREAD_FASTP ( reads ).reads
+        ch_versions        =  ch_versions.mix( SHORTREAD_FASTP.out.versions )
+        ch_multiqc_files   =  ch_multiqc_files.mix( SHORTREAD_FASTP.out.mqc )
     } else {
         ch_processed_reads = reads
     }
 
+    //FASTQC_PROCESSED ( ch_processed_reads )
+    //ch_versions = ch_versions.mix( FASTQC_PROCESSED.out.versions )
+    //ch_multiqc_files = ch_multiqc_files.mix( FASTQC_PROCESSED.out.zip.collect{it[1]} )
 
     emit:
+            // TODO: problem, this is being exported as a multi-channel output? This is why FASTQC is broken
     reads    = ch_processed_reads   // channel: [ val(meta), [ reads ] ]
     versions = ch_versions          // channel: [ versions.yml ]
     mqc      = ch_multiqc_files
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 29058e6..0a907bf 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -17,6 +17,7 @@ for (param in checkPathParamList) { if (param) { file(param, checkIfExists: true
 // Check mandatory parameters
 if (params.input    ) { ch_input     = file(params.input)     } else { exit 1, 'Input samplesheet not specified!' }
 if (params.databases) { ch_databases = file(params.databases) } else { exit 1, 'Input database sheet not specified!' }
+if (params.shortread_clipmerge_mergepairs && params.run_malt ) log.warn "[nf-core/taxprofiler] warning: MALT does not except uncollapsed paired-reads. Pairs will be profiled as separate files."
 
 /*
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
@@ -135,6 +136,7 @@ workflow TAXPROFILER {
 
     CAT_FASTQ ( ch_processed_for_combine.combine )
 
+    // TODO May need to flatten reads?
     ch_reads_for_profiling = ch_processed_for_combine.skip
                                 .dump(tag: "skip_combine")
                                 .mix( CAT_FASTQ.out.reads )

From ff1f28f4f0b8e88898e0f568f83e2da90ff81bc6 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 25 Mar 2022 15:01:25 +0100
Subject: [PATCH 043/789] Update schema

---
 conf/modules.config  |  4 ++--
 nextflow_schema.json | 38 +++++++++++++++++++++++++++++++++++---
 2 files changed, 37 insertions(+), 5 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 36bc626..1052bed 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -69,8 +69,8 @@ process {
             params.shortread_clipmerge_excludeunmerged ? '' : "--include_unmerged",
             // trimming options
             params.shortread_clipmerge_skiptrim ? "--disable_adapter_trimming" : "",
-            params.shortread_adapter1 ? "--adapter_sequence ${params.shortread_adapter1}" : "",
-            !{ ${meta.single_end} } && params.shortread_adapter2 ? "--adapter_sequence_r2 ${params.shortread_adapter2}" : !{ ${meta.single_end} } ? "--detect_adapter_for_pe" : ""
+            params.shortread_clipmerge_adapter1 ? "--adapter_sequence ${params.shortread_clipmerge_adapter1}" : "",
+            !{ ${meta.single_end} } && params.shortread_clipmerge_adapter2 ? "--adapter_sequence_r2 ${params.shortread_clipmerge_adapter2}" : !{ ${meta.single_end} } ? "--detect_adapter_for_pe" : "",
             // filtering options
             "--length_required ${params.shortread_clipmerge_minlength}"
         ].join(' ').trim()
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 0fa217f..42307e9 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,7 +10,10 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["input", "outdir"],
+            "required": [
+                "input",
+                "outdir"
+            ],
             "properties": {
                 "input": {
                     "type": "string",
@@ -173,7 +176,14 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
+                    "enum": [
+                        "symlink",
+                        "rellink",
+                        "link",
+                        "copy",
+                        "copyNoFollow",
+                        "move"
+                    ],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -281,6 +291,28 @@
         },
         "run_kraken2": {
             "type": "boolean"
+        },
+        "shortread_clipmerge_tool": {
+            "type": "string",
+            "default": "fastp"
+        },
+        "shortread_clipmerge_skiptrim": {
+            "type": "boolean"
+        },
+        "shortread_clipmerge_mergepairs": {
+            "type": "boolean"
+        },
+        "shortread_clipmerge_adapter1": {
+            "type": "string",
+            "default": null
+        },
+        "shortread_clipmerge_adapter2": {
+            "type": "string",
+            "default": null
+        },
+        "shortread_clipmerge_minlength": {
+            "type": "integer",
+            "default": 15
         }
     }
-}
+}
\ No newline at end of file

From dfcf8f7b1ae183a233d8a1c94f39a1f27084a966 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 25 Mar 2022 15:10:52 +0100
Subject: [PATCH 044/789] Prettier

---
 conf/test.config     |  1 -
 nextflow_schema.json | 16 +++-------------
 2 files changed, 3 insertions(+), 14 deletions(-)

diff --git a/conf/test.config b/conf/test.config
index 5924d7a..92a10e4 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -23,7 +23,6 @@ params {
     // TODO nf-core: Specify the paths to your test data on nf-core/test-datasets
     // TODO nf-core: Give any required params for the test so that command line flags are not needed
     input               = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
-    outdir              = "./results"
     databases           = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
     run_kraken2         = true
     run_malt            = true
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 42307e9..545f990 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,10 +10,7 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": [
-                "input",
-                "outdir"
-            ],
+            "required": ["input", "outdir"],
             "properties": {
                 "input": {
                     "type": "string",
@@ -176,14 +173,7 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": [
-                        "symlink",
-                        "rellink",
-                        "link",
-                        "copy",
-                        "copyNoFollow",
-                        "move"
-                    ],
+                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -315,4 +305,4 @@
             "default": 15
         }
     }
-}
\ No newline at end of file
+}

From b5f5c755046b3ae1af9648e879dfa48519385891 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 25 Mar 2022 15:21:52 +0100
Subject: [PATCH 045/789] Fix file header descriptions

---
 subworkflows/local/longread_preprocessing.nf |  9 ++++++---
 subworkflows/local/shortread_fastp.nf        | 10 +++-------
 2 files changed, 9 insertions(+), 10 deletions(-)

diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf
index da1049a..58968e8 100644
--- a/subworkflows/local/longread_preprocessing.nf
+++ b/subworkflows/local/longread_preprocessing.nf
@@ -1,6 +1,9 @@
+/*
+Process long raw reads with porechop
+*/
 
-include { FASTQC as FASTQC_POST } from '../../modules/nf-core/modules/fastqc/main'
-include { PORECHOP              } from '../../modules/nf-core/modules/porechop/main'
+include { FASTQC as FASTQC_PROCESSED } from '../../modules/nf-core/modules/fastqc/main'
+include { PORECHOP                   } from '../../modules/nf-core/modules/porechop/main'
 
 workflow LONGREAD_PREPROCESSING {
     take:
@@ -23,7 +26,7 @@ workflow LONGREAD_PREPROCESSING {
 
     FASTQC_POST ( PORECHOP.out.reads )
     ch_versions = ch_versions.mix(PORECHOP.out.versions.first())
-    ch_multiqc_files = ch_multiqc_files.mix( FASTQC_POST.out.zip.collect{it[1]} )
+    ch_multiqc_files = ch_multiqc_files.mix( FASTQC_PROCESSED.out.zip.collect{it[1]} )
 
 
     emit:
diff --git a/subworkflows/local/shortread_fastp.nf b/subworkflows/local/shortread_fastp.nf
index 87aba25..f457cf3 100644
--- a/subworkflows/local/shortread_fastp.nf
+++ b/subworkflows/local/shortread_fastp.nf
@@ -1,7 +1,6 @@
-//
-// Check input samplesheet and get read channels
-//
-
+/*
+Process short raw reads with FastP
+*/
 
 include { FASTP as FASTP_SINGLE       } from '../../modules/nf-core/modules/fastp/main'
 include { FASTP as FASTP_PAIRED       } from '../../modules/nf-core/modules/fastp/main'
@@ -17,9 +16,6 @@ workflow SHORTREAD_FASTP {
     //
     // STEP: Read clipping and merging
     //
-    // TODO give option to retain singletons (probably fastp option likely)
-    // TODO move to subworkflow
-
     ch_input_for_fastp = reads
                             .dump(tag: "pre-fastp_branch")
                             .branch{

From 7ddcb09a85ed8c50f5d661b398f0e0a5e113add8 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 25 Mar 2022 15:22:41 +0100
Subject: [PATCH 046/789] Some more cleanup

---
 .../local/shortread_adapterremoval.nf         | 64 +++++++++++++++++++
 1 file changed, 64 insertions(+)
 create mode 100644 subworkflows/local/shortread_adapterremoval.nf

diff --git a/subworkflows/local/shortread_adapterremoval.nf b/subworkflows/local/shortread_adapterremoval.nf
new file mode 100644
index 0000000..e15d2ef
--- /dev/null
+++ b/subworkflows/local/shortread_adapterremoval.nf
@@ -0,0 +1,64 @@
+/*
+Process raw reads with AdapterRemoval
+*/
+
+include { FASTP as FASTP_SINGLE       } from '../../modules/nf-core/modules/fastp/main'
+include { FASTP as FASTP_PAIRED       } from '../../modules/nf-core/modules/fastp/main'
+
+workflow SHORTREAD_FASTP {
+    take:
+    reads // file: /path/to/samplesheet.csv
+
+    main:
+    ch_versions = Channel.empty()
+    ch_multiqc_files      = Channel.empty()
+
+    //
+    // STEP: Read clipping and merging
+    //
+    // TODO give option to retain singletons (probably fastp option likely)
+    // TODO move to subworkflow
+
+    ch_input_for_fastp = reads
+                            .dump(tag: "pre-fastp_branch")
+                            .branch{
+                                single: it[0]['single_end'] == true
+                                paired: it[0]['single_end'] == false
+                            }
+
+    ch_input_for_fastp.single.dump(tag: "input_fastp_single")
+    ch_input_for_fastp.paired.dump(tag: "input_fastp_paired")
+
+    FASTP_SINGLE ( ch_input_for_fastp.single, false, false )
+    FASTP_PAIRED ( ch_input_for_fastp.paired, false, params.shortread_clipmerge_mergepairs )
+
+    if ( params.shortread_clipmerge_mergepairs ) {
+        ch_fastp_reads_prepped = FASTP_PAIRED.out.reads_merged
+                                    .mix( FASTP_SINGLE.out.reads )
+                                    .map {
+                                        meta, reads ->
+                                        def meta_new = meta.clone()
+                                        meta_new['single_end'] = 1
+                                        [ meta_new, reads ]
+                                        }
+    } else {
+        ch_fastp_reads_prepped = FASTP_PAIRED.out.reads
+                                    .mix( FASTP_SINGLE.out.reads )
+    }
+
+    ch_versions = ch_versions.mix(FASTP_SINGLE.out.versions.first())
+    ch_versions = ch_versions.mix(FASTP_PAIRED.out.versions.first())
+
+    ch_processed_reads = ch_fastp_reads_prepped.dump(tag: "ch_fastp_reads_prepped")
+
+    ch_multiqc_files = ch_multiqc_files.mix( FASTP_SINGLE.out.json.collect{it[1]} )
+    ch_multiqc_files = ch_multiqc_files.mix( FASTP_PAIRED.out.json.collect{it[1]} )
+
+    ch_multiqc_files.dump(tag: "preprocessing_fastp_mqc_final")
+
+    emit:
+    reads    = ch_processed_reads   // channel: [ val(meta), [ reads ] ]
+    versions = ch_versions          // channel: [ versions.yml ]
+    mqc      = ch_multiqc_files
+}
+

From 0e6f7e2ca137fbb8306b733ab3abc3b6d8ad83f7 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 25 Mar 2022 15:24:10 +0100
Subject: [PATCH 047/789] Revert "Some more cleanup"

This reverts commit 7ddcb09a85ed8c50f5d661b398f0e0a5e113add8.
---
 .../local/shortread_adapterremoval.nf         | 64 -------------------
 1 file changed, 64 deletions(-)
 delete mode 100644 subworkflows/local/shortread_adapterremoval.nf

diff --git a/subworkflows/local/shortread_adapterremoval.nf b/subworkflows/local/shortread_adapterremoval.nf
deleted file mode 100644
index e15d2ef..0000000
--- a/subworkflows/local/shortread_adapterremoval.nf
+++ /dev/null
@@ -1,64 +0,0 @@
-/*
-Process raw reads with AdapterRemoval
-*/
-
-include { FASTP as FASTP_SINGLE       } from '../../modules/nf-core/modules/fastp/main'
-include { FASTP as FASTP_PAIRED       } from '../../modules/nf-core/modules/fastp/main'
-
-workflow SHORTREAD_FASTP {
-    take:
-    reads // file: /path/to/samplesheet.csv
-
-    main:
-    ch_versions = Channel.empty()
-    ch_multiqc_files      = Channel.empty()
-
-    //
-    // STEP: Read clipping and merging
-    //
-    // TODO give option to retain singletons (probably fastp option likely)
-    // TODO move to subworkflow
-
-    ch_input_for_fastp = reads
-                            .dump(tag: "pre-fastp_branch")
-                            .branch{
-                                single: it[0]['single_end'] == true
-                                paired: it[0]['single_end'] == false
-                            }
-
-    ch_input_for_fastp.single.dump(tag: "input_fastp_single")
-    ch_input_for_fastp.paired.dump(tag: "input_fastp_paired")
-
-    FASTP_SINGLE ( ch_input_for_fastp.single, false, false )
-    FASTP_PAIRED ( ch_input_for_fastp.paired, false, params.shortread_clipmerge_mergepairs )
-
-    if ( params.shortread_clipmerge_mergepairs ) {
-        ch_fastp_reads_prepped = FASTP_PAIRED.out.reads_merged
-                                    .mix( FASTP_SINGLE.out.reads )
-                                    .map {
-                                        meta, reads ->
-                                        def meta_new = meta.clone()
-                                        meta_new['single_end'] = 1
-                                        [ meta_new, reads ]
-                                        }
-    } else {
-        ch_fastp_reads_prepped = FASTP_PAIRED.out.reads
-                                    .mix( FASTP_SINGLE.out.reads )
-    }
-
-    ch_versions = ch_versions.mix(FASTP_SINGLE.out.versions.first())
-    ch_versions = ch_versions.mix(FASTP_PAIRED.out.versions.first())
-
-    ch_processed_reads = ch_fastp_reads_prepped.dump(tag: "ch_fastp_reads_prepped")
-
-    ch_multiqc_files = ch_multiqc_files.mix( FASTP_SINGLE.out.json.collect{it[1]} )
-    ch_multiqc_files = ch_multiqc_files.mix( FASTP_PAIRED.out.json.collect{it[1]} )
-
-    ch_multiqc_files.dump(tag: "preprocessing_fastp_mqc_final")
-
-    emit:
-    reads    = ch_processed_reads   // channel: [ val(meta), [ reads ] ]
-    versions = ch_versions          // channel: [ versions.yml ]
-    mqc      = ch_multiqc_files
-}
-

From b763bfa2c0a7dabe4ad8c4216cf852a3938a49b6 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 25 Mar 2022 15:26:57 +0100
Subject: [PATCH 048/789] More cleanup

---
 subworkflows/local/shortread_fastp.nf | 3 ---
 1 file changed, 3 deletions(-)

diff --git a/subworkflows/local/shortread_fastp.nf b/subworkflows/local/shortread_fastp.nf
index f457cf3..57ce2a6 100644
--- a/subworkflows/local/shortread_fastp.nf
+++ b/subworkflows/local/shortread_fastp.nf
@@ -13,9 +13,6 @@ workflow SHORTREAD_FASTP {
     ch_versions = Channel.empty()
     ch_multiqc_files      = Channel.empty()
 
-    //
-    // STEP: Read clipping and merging
-    //
     ch_input_for_fastp = reads
                             .dump(tag: "pre-fastp_branch")
                             .branch{

From ede362dbf91df9f5118f0122f8bfc09d888cb141 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 25 Mar 2022 15:28:30 +0100
Subject: [PATCH 049/789] Remove duplicate config and sync longread fastqc

---
 conf/modules.config                          | 10 ----------
 subworkflows/local/longread_preprocessing.nf |  2 +-
 2 files changed, 1 insertion(+), 11 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 1052bed..7d50174 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -90,16 +90,6 @@ process {
         ]
     }
 
-    withName: FASTQC_POST {
-        ext.args = '--quiet'
-        ext.prefix = { "${meta.id}_${meta.run_accession}_processed" }
-        publishDir = [
-            path: { "${params.outdir}/fastqc/processed" },
-            mode: 'copy',
-            pattern: '*.html'
-        ]
-    }
-
     withName: CAT_FASTQ {
         publishDir = [
             path: { "${params.outdir}/prepared_sequences" },
diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf
index 58968e8..7c7c24b 100644
--- a/subworkflows/local/longread_preprocessing.nf
+++ b/subworkflows/local/longread_preprocessing.nf
@@ -24,7 +24,7 @@ workflow LONGREAD_PREPROCESSING {
                                         [ meta_new, reads ]
                                     }
 
-    FASTQC_POST ( PORECHOP.out.reads )
+    FASTQC_PROCESSED ( PORECHOP.out.reads )
     ch_versions = ch_versions.mix(PORECHOP.out.versions.first())
     ch_multiqc_files = ch_multiqc_files.mix( FASTQC_PROCESSED.out.zip.collect{it[1]} )
 

From 000f129dab1b139cec6e9194670addf8d9e6173a Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Fri, 25 Mar 2022 15:32:56 +0100
Subject: [PATCH 050/789] Apply suggestions from code review

---
 subworkflows/local/shortread_preprocessing.nf | 7 +++----
 1 file changed, 3 insertions(+), 4 deletions(-)

diff --git a/subworkflows/local/shortread_preprocessing.nf b/subworkflows/local/shortread_preprocessing.nf
index c31289d..c82536f 100644
--- a/subworkflows/local/shortread_preprocessing.nf
+++ b/subworkflows/local/shortread_preprocessing.nf
@@ -29,12 +29,11 @@ workflow SHORTREAD_PREPROCESSING {
         ch_processed_reads = reads
     }
 
-    //FASTQC_PROCESSED ( ch_processed_reads )
-    //ch_versions = ch_versions.mix( FASTQC_PROCESSED.out.versions )
-    //ch_multiqc_files = ch_multiqc_files.mix( FASTQC_PROCESSED.out.zip.collect{it[1]} )
+    FASTQC_PROCESSED ( ch_processed_reads )
+    ch_versions = ch_versions.mix( FASTQC_PROCESSED.out.versions )
+    ch_multiqc_files = ch_multiqc_files.mix( FASTQC_PROCESSED.out.zip.collect{it[1]} )
 
     emit:
-            // TODO: problem, this is being exported as a multi-channel output? This is why FASTQC is broken
     reads    = ch_processed_reads   // channel: [ val(meta), [ reads ] ]
     versions = ch_versions          // channel: [ versions.yml ]
     mqc      = ch_multiqc_files

From 16bdc79cc08750e8df36acc8c14aa90e8c522f76 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Fri, 25 Mar 2022 16:30:26 +0100
Subject: [PATCH 051/789] Apply prettier

---
 modules.json | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules.json b/modules.json
index 2dbde56..ffaff90 100644
--- a/modules.json
+++ b/modules.json
@@ -29,7 +29,7 @@
             },
             "porechop": {
                 "git_sha": "e20e57f90b6787ac9a010a980cf6ea98bd990046"
-            }
+            },
             "centrifuge": {
                 "git_sha": "ea41a8a6f761b9993d857570e872abaae3fea555"
             }

From 59d3f18a753bf5b06ab495c98f96df77a84513d5 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Fri, 25 Mar 2022 17:18:04 +0100
Subject: [PATCH 052/789] Update nextflow_schema.json

---
 nextflow_schema.json | 14 +++++---------
 1 file changed, 5 insertions(+), 9 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index b8d5a1d..b4b3e07 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -293,20 +293,16 @@
             "type": "boolean"
         },
         "run_centrifuge": {
-            "type": "string",
-            "default": "false"
+            "type": "boolean"
         },
         "centrifuge_save_unaligned": {
-            "type": "string",
-            "default": "false"
+            "type": "boolean"
         },
         "centrifuge_save_aligned": {
-            "type": "string",
-            "default": "false"
+            "type": "boolean"
         },
         "centrifuge_sam_format": {
-            "type": "string",
-            "default": "false"
+            "type": "boolean"
         }
     }
-}
\ No newline at end of file
+}

From 120382f51d184bed0375ab8c642f6bdab77a617f Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sat, 26 Mar 2022 06:45:16 +0100
Subject: [PATCH 053/789] Fix input channels to kraken2

---
 workflows/taxprofiler.nf | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 0a907bf..c1d7f34 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -37,11 +37,11 @@ ch_multiqc_custom_config = params.multiqc_config ? Channel.fromPath(params.multi
 //
 // SUBWORKFLOW: Consisting of a mix of local and nf-core/modules
 //
-include { INPUT_CHECK         } from '../subworkflows/local/input_check'
+include { INPUT_CHECK             } from '../subworkflows/local/input_check'
 
-include { DB_CHECK            } from '../subworkflows/local/db_check'
+include { DB_CHECK                } from '../subworkflows/local/db_check'
 include { SHORTREAD_PREPROCESSING } from '../subworkflows/local/shortread_preprocessing'
-include { LONGREAD_PREPROCESSING } from '../subworkflows/local/longread_preprocessing'
+include { LONGREAD_PREPROCESSING  } from '../subworkflows/local/longread_preprocessing'
 
 /*
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
@@ -171,7 +171,7 @@ workflow TAXPROFILER {
                                     [ temp_meta, it[1], db ]
                             }
                             .groupTuple(by: [0,2])
-                            .dump(tag: "input for malt")
+                            .dump(tag: "input_for_malt")
                             .multiMap {
                                 it ->
                                     reads: [ it[0], it[1].flatten() ]
@@ -180,10 +180,10 @@ workflow TAXPROFILER {
 
     // We can run Kraken2 one-by-one sample-wise
     ch_input_for_kraken2 =  ch_input_for_profiling.kraken2
-                            .dump(tag: "input for kraken")
+                            .dump(tag: "input_for_kraken")
                             .multiMap {
                                 it ->
-                                    reads: [ it[0] + it[2], it[1] ]
+                                    reads: [ it[0] + it[2], it[1].flatten() ]
                                     db: it[3]
                             }
 

From 622fafedc88489026d4c8cd5eb62319e736d1375 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Sat, 26 Mar 2022 20:22:35 +0000
Subject: [PATCH 054/789] Prempt centrifuge database untar crash

---
 subworkflows/local/db_check.nf | 5 ++++-
 1 file changed, 4 insertions(+), 1 deletion(-)

diff --git a/subworkflows/local/db_check.nf b/subworkflows/local/db_check.nf
index 890e373..96f815a 100644
--- a/subworkflows/local/db_check.nf
+++ b/subworkflows/local/db_check.nf
@@ -12,6 +12,9 @@ workflow DB_CHECK {
     main:
 
     // TODO: make database sheet check
+    // Checks:
+    // 1) no duplicates,
+    // 2) dbs with no special arguments does not have quotes, e.g. just `,,` and NOT `,"",`
     parsed_samplesheet = DATABASE_CHECK ( dbsheet )
         .csv
         .splitCsv ( header:true, sep:',' )
@@ -21,7 +24,7 @@ workflow DB_CHECK {
 
     ch_dbs_for_untar = parsed_samplesheet
         .branch {
-            untar: it[1].toString().endsWith(".tar.gz")
+            untar: it[1].toString().endsWith(".tar.gz") && it[0]['tool'] != 'centrifuge'
             skip: true
         }
 

From e6e8ed7cc9904973ce6236c98eb74f8246c3ec09 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Sat, 26 Mar 2022 20:54:50 +0000
Subject: [PATCH 055/789] Add some debugging notes

---
 conf/modules.config      |  4 +--
 workflows/taxprofiler.nf | 60 +++++++++++++++++++++-------------------
 2 files changed, 34 insertions(+), 30 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 7d50174..5823d3f 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -105,7 +105,7 @@ process {
             pattern: '*.{rma6,tab,text,sam,log}'
         ]
         ext.args = { "${meta.db_params}" }
-        ext.prefix = { "${meta.id}-${meta.db_name}" }
+        ext.prefix = { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
     }
 
     withName: KRAKEN2_KRAKEN2 {
@@ -115,7 +115,7 @@ process {
             pattern: '*.{fastq.gz,txt}'
         ]
         ext.args = { "${meta.db_params}" }
-        ext.prefix = { "${meta.id}-${meta.db_name}" }
+        ext.prefix = { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
     }
 
     withName: CUSTOM_DUMPSOFTWAREVERSIONS {
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index c1d7f34..ee921ea 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -74,9 +74,9 @@ workflow TAXPROFILER {
 
     ch_versions = Channel.empty()
 
-    //
-    // SUBWORKFLOW: Read in samplesheet, validate and stage input files
-    //
+    /*
+        SUBWORKFLOW: Read in samplesheet, validate and stage input files
+    */
     INPUT_CHECK (
         ch_input
     )
@@ -86,9 +86,9 @@ workflow TAXPROFILER {
         ch_databases
     )
 
-    //
-    // MODULE: Run FastQC
-    //
+    /*
+        MODULE: Run FastQC
+    */
     ch_input_for_fastqc = INPUT_CHECK.out.fastq.mix( INPUT_CHECK.out.nanopore ).dump(tag: "input_to_fastq")
     FASTQC (
         ch_input_for_fastqc
@@ -99,9 +99,9 @@ workflow TAXPROFILER {
         ch_versions.unique().collectFile(name: 'collated_versions.yml')
     )
 
-    //
-    // PERFORM PREPROCESSING
-    //
+    /*
+        SUBWORKFLOW: PERFORM PREPROCESSING
+    */
     if ( params.shortread_clipmerge ) {
         ch_shortreads_preprocessed = SHORTREAD_PREPROCESSING ( INPUT_CHECK.out.fastq ).reads
     } else {
@@ -116,16 +116,19 @@ workflow TAXPROFILER {
         ch_longreads_preprocessed = INPUT_CHECK.out.nanopore
     }
 
-    //
-    // PERFORM SHORT READ RUN MERGING
+    /*
+        MODULE: PERFORM SHORT READ RUN MERGING
+    */
+
     // TODO: Check not necessary for long reads too?
-    //
+    // TODO: source of clash - combined should only occur when
+    // files ARE to be combined. SE/unmerged (see not below)
     ch_processed_for_combine = ch_shortreads_preprocessed
         .dump(tag: "prep_for_combine_grouping")
         .map {
             meta, reads ->
             def meta_new = meta.clone()
-            meta_new['run_accession'] = 'combined'
+            //meta_new['run_accession'] = 'combined'
             [ meta_new, reads ]
         }
         .groupTuple ( by: 0 )
@@ -134,17 +137,18 @@ workflow TAXPROFILER {
             skip: it[1].size() < 2
         }
 
+    // NOTE: this does not allow CATing of SE & PE runs of same sample
+    // when --shortread_clipmerge_mergepairs is false
     CAT_FASTQ ( ch_processed_for_combine.combine )
 
-    // TODO May need to flatten reads?
     ch_reads_for_profiling = ch_processed_for_combine.skip
                                 .dump(tag: "skip_combine")
                                 .mix( CAT_FASTQ.out.reads )
                                 .dump(tag: "files_for_profiling")
 
-    //
-    // COMBINE READS WITH POSSIBLE DATABASES
-    //
+    /*
+        COMBINE READS WITH POSSIBLE DATABASES
+    */
 
     // e.g. output [DUMP: reads_plus_db] [['id':'2612', 'run_accession':'combined', 'instrument_platform':'ILLUMINA', 'single_end':1], <reads_path>/2612.merged.fastq.gz, ['tool':'malt', 'db_name':'mal95', 'db_params':'"-id 90"'], <db_path>/malt90]
     ch_input_for_profiling = ch_reads_for_profiling
@@ -157,9 +161,9 @@ workflow TAXPROFILER {
                 unknown: true
             }
 
-    //
-    // PREPARE PROFILER INPUT CHANNELS
-    //
+    /*
+        PREPARE PROFILER INPUT CHANNELS
+    */
 
     // We groupTuple to have all samples in one channel for MALT as database
     // loading takes a long time, so we only want to run it once per database
@@ -171,7 +175,7 @@ workflow TAXPROFILER {
                                     [ temp_meta, it[1], db ]
                             }
                             .groupTuple(by: [0,2])
-                            .dump(tag: "input_for_malt")
+                            .dump(tag: "input_to_malt")
                             .multiMap {
                                 it ->
                                     reads: [ it[0], it[1].flatten() ]
@@ -180,16 +184,16 @@ workflow TAXPROFILER {
 
     // We can run Kraken2 one-by-one sample-wise
     ch_input_for_kraken2 =  ch_input_for_profiling.kraken2
-                            .dump(tag: "input_for_kraken")
+                            .dump(tag: "input_to_kraken")
                             .multiMap {
                                 it ->
                                     reads: [ it[0] + it[2], it[1].flatten() ]
                                     db: it[3]
                             }
 
-    //
-    // RUN PROFILING
-    //
+    /*
+        MODULE: RUN PROFILING
+    */
     if ( params.run_malt ) {
         MALT_RUN ( ch_input_for_malt.reads, params.malt_mode, ch_input_for_malt.db )
     }
@@ -198,9 +202,9 @@ workflow TAXPROFILER {
         KRAKEN2_KRAKEN2 ( ch_input_for_kraken2.reads, ch_input_for_kraken2.db  )
     }
 
-    //
-    // MODULE: MultiQC
-    //
+    /*
+        MODULE: MultiQC
+    */
     workflow_summary    = WorkflowTaxprofiler.paramsSummaryMultiqc(workflow, summary_params)
     ch_workflow_summary = Channel.value(workflow_summary)
 

From 8dc9e583add80f51111dc6c796a2ea1413e8731b Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sun, 27 Mar 2022 09:30:23 +0200
Subject: [PATCH 056/789] Debugging run merging

---
 conf/modules.config                           |  6 ++---
 .../nf-core/modules/kraken2/kraken2/main.nf   |  3 ++-
 subworkflows/local/shortread_fastp.nf         | 10 ++++---
 subworkflows/local/shortread_preprocessing.nf |  7 -----
 workflows/taxprofiler.nf                      | 27 ++++++++++++++-----
 5 files changed, 32 insertions(+), 21 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 5823d3f..41f471f 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -65,7 +65,7 @@ process {
     withName: FASTP {
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
         ext.args   = [
-            // collapsing options
+            // collapsing options - option to retain singletons
             params.shortread_clipmerge_excludeunmerged ? '' : "--include_unmerged",
             // trimming options
             params.shortread_clipmerge_skiptrim ? "--disable_adapter_trimming" : "",
@@ -105,7 +105,7 @@ process {
             pattern: '*.{rma6,tab,text,sam,log}'
         ]
         ext.args = { "${meta.db_params}" }
-        ext.prefix = { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+        ext.prefix = { "${meta.id}-${meta.db_name}" }
     }
 
     withName: KRAKEN2_KRAKEN2 {
@@ -115,7 +115,7 @@ process {
             pattern: '*.{fastq.gz,txt}'
         ]
         ext.args = { "${meta.db_params}" }
-        ext.prefix = { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+        ext.prefix = { "${meta.id}-${meta.db_name}" }
     }
 
     withName: CUSTOM_DUMPSOFTWAREVERSIONS {
diff --git a/modules/nf-core/modules/kraken2/kraken2/main.nf b/modules/nf-core/modules/kraken2/kraken2/main.nf
index 3ec5df5..52351f5 100644
--- a/modules/nf-core/modules/kraken2/kraken2/main.nf
+++ b/modules/nf-core/modules/kraken2/kraken2/main.nf
@@ -32,11 +32,12 @@ process KRAKEN2_KRAKEN2 {
         --threads $task.cpus \\
         --unclassified-out $unclassified \\
         --classified-out $classified \\
+        $args \\
         --report ${prefix}.kraken2.report.txt \\
         --gzip-compressed \\
         $paired \\
-        $args \\
         $reads
+        
 
     pigz -p $task.cpus *.fastq
 
diff --git a/subworkflows/local/shortread_fastp.nf b/subworkflows/local/shortread_fastp.nf
index 57ce2a6..d4d706e 100644
--- a/subworkflows/local/shortread_fastp.nf
+++ b/subworkflows/local/shortread_fastp.nf
@@ -7,7 +7,7 @@ include { FASTP as FASTP_PAIRED       } from '../../modules/nf-core/modules/fast
 
 workflow SHORTREAD_FASTP {
     take:
-    reads // file: /path/to/samplesheet.csv
+    reads // [[meta], [reads]]
 
     main:
     ch_versions = Channel.empty()
@@ -24,16 +24,18 @@ workflow SHORTREAD_FASTP {
     ch_input_for_fastp.paired.dump(tag: "input_fastp_paired")
 
     FASTP_SINGLE ( ch_input_for_fastp.single, false, false )
+    // Last parameter here turns on merging of PE data
     FASTP_PAIRED ( ch_input_for_fastp.paired, false, params.shortread_clipmerge_mergepairs )
 
     if ( params.shortread_clipmerge_mergepairs ) {
+        // TODO update to replace meta suffix
         ch_fastp_reads_prepped = FASTP_PAIRED.out.reads_merged
                                     .mix( FASTP_SINGLE.out.reads )
                                     .map {
                                         meta, reads ->
-                                        def meta_new = meta.clone()
-                                        meta_new['single_end'] = 1
-                                        [ meta_new, reads ]
+                                            def meta_new = meta.clone()
+                                            meta_new['single_end'] = 1
+                                            [ meta_new, reads ]
                                         }
     } else {
         ch_fastp_reads_prepped = FASTP_PAIRED.out.reads
diff --git a/subworkflows/local/shortread_preprocessing.nf b/subworkflows/local/shortread_preprocessing.nf
index c82536f..7fba0c0 100644
--- a/subworkflows/local/shortread_preprocessing.nf
+++ b/subworkflows/local/shortread_preprocessing.nf
@@ -14,13 +14,6 @@ workflow SHORTREAD_PREPROCESSING {
     ch_versions       = Channel.empty()
     ch_multiqc_files  = Channel.empty()
 
-    //
-    // STEP: Read clipping and merging
-    //
-    // TODO give option to clip only and retain pairs
-    // TODO give option to retain singletons (probably fastp option likely)
-    // TODO move to subworkflow
-
     if ( params.shortread_clipmerge_tool == "fastp" ) {
         ch_processed_reads = SHORTREAD_FASTP ( reads ).reads
         ch_versions        =  ch_versions.mix( SHORTREAD_FASTP.out.versions )
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index ee921ea..87f7a30 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -120,25 +120,40 @@ workflow TAXPROFILER {
         MODULE: PERFORM SHORT READ RUN MERGING
     */
 
-    // TODO: Check not necessary for long reads too?
-    // TODO: source of clash - combined should only occur when
-    // files ARE to be combined. SE/unmerged (see not below)
+    // Remove run accession to allow grouping by sample. Will only merge
+    // if pairment type is the same.
+
+    // TODO Current Branch system currently problematic - when single file not in a list, splits at
+    // `/` so makes list >= 2, so tries to merge, but then breaks kraken downstream
+    // e.g. `home jfellows Documents git nf-core taxprofiler testing work 68 9a2c8362add37832a776058d280bb7 2612_se.merged.fastq.gz`
+    // So theoretically need to force this into a list, (but results the can't access meta.id error as incorrect  input format)
+    // But second issue >= 2 is MAYBE sufficient because what if merging two paired-end files? Need to chcek if the input channel formatted correctly for this? Need to check...
     ch_processed_for_combine = ch_shortreads_preprocessed
         .dump(tag: "prep_for_combine_grouping")
         .map {
             meta, reads ->
             def meta_new = meta.clone()
-            //meta_new['run_accession'] = 'combined'
+
+            // remove run accession to allow group by sample
+            meta_new.remove('run_accession')
+
+            // update id to prevent file name clashes when unable to group
+            // unmerged PE and SE runs of same sample
+            def type = meta_new['single_end'] ? "_se" : "_pe"
+            meta_new['id'] = meta['id'] + type
+
             [ meta_new, reads ]
         }
         .groupTuple ( by: 0 )
+        .dump(tag: "files_for_cat_fastq_branch")
         .branch{
-            combine: it[1].size() >= 2
-            skip: it[1].size() < 2
+            combine: it[1] && it[1].size() > 1
+            skip: true
         }
 
     // NOTE: this does not allow CATing of SE & PE runs of same sample
     // when --shortread_clipmerge_mergepairs is false
+    ch_processed_for_combine.combine.dump(tag: "input_into_cat_fastq")
     CAT_FASTQ ( ch_processed_for_combine.combine )
 
     ch_reads_for_profiling = ch_processed_for_combine.skip

From ee53283696261fa2687fa55402e3cfa3da164509 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 28 Mar 2022 09:13:05 +0200
Subject: [PATCH 057/789] Debugging comment

---
 workflows/taxprofiler.nf | 6 +++++-
 1 file changed, 5 insertions(+), 1 deletion(-)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 87f7a30..8a05720 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -118,7 +118,6 @@ workflow TAXPROFILER {
 
     /*
         MODULE: PERFORM SHORT READ RUN MERGING
-    */
 
     // Remove run accession to allow grouping by sample. Will only merge
     // if pairment type is the same.
@@ -128,6 +127,7 @@ workflow TAXPROFILER {
     // e.g. `home jfellows Documents git nf-core taxprofiler testing work 68 9a2c8362add37832a776058d280bb7 2612_se.merged.fastq.gz`
     // So theoretically need to force this into a list, (but results the can't access meta.id error as incorrect  input format)
     // But second issue >= 2 is MAYBE sufficient because what if merging two paired-end files? Need to chcek if the input channel formatted correctly for this? Need to check...
+
     ch_processed_for_combine = ch_shortreads_preprocessed
         .dump(tag: "prep_for_combine_grouping")
         .map {
@@ -160,6 +160,9 @@ workflow TAXPROFILER {
                                 .dump(tag: "skip_combine")
                                 .mix( CAT_FASTQ.out.reads )
                                 .dump(tag: "files_for_profiling")
+    */
+
+    ch_reads_for_profiling = ch_shortreads_preprocessed
 
     /*
         COMBINE READS WITH POSSIBLE DATABASES
@@ -198,6 +201,7 @@ workflow TAXPROFILER {
                             }
 
     // We can run Kraken2 one-by-one sample-wise
+    // TODO Only flatten when paired-end! Causing issue commented out above!
     ch_input_for_kraken2 =  ch_input_for_profiling.kraken2
                             .dump(tag: "input_to_kraken")
                             .multiMap {

From 0e0e8128e868df6ea8a4f4c22d7841f518d84c9f Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Mon, 28 Mar 2022 13:43:32 +0200
Subject: [PATCH 058/789] Prettier format

---
 nextflow_schema.json | 563 +++++++++++++++++++++----------------------
 1 file changed, 280 insertions(+), 283 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index b4b3e07..b61a50e 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -1,308 +1,305 @@
 {
-    "$schema": "http://json-schema.org/draft-07/schema",
-    "$id": "https://raw.githubusercontent.com/nf-core/taxprofiler/master/nextflow_schema.json",
-    "title": "nf-core/taxprofiler pipeline parameters",
-    "description": "Taxonomic profiling of shotgun metagenomic data",
-    "type": "object",
-    "definitions": {
-        "input_output_options": {
-            "title": "Input/output options",
-            "type": "object",
-            "fa_icon": "fas fa-terminal",
-            "description": "Define where the pipeline should find input data and save output data.",
-            "required": [
-                "input",
-                "outdir"
-            ],
-            "properties": {
-                "input": {
-                    "type": "string",
-                    "format": "file-path",
-                    "mimetype": "text/csv",
-                    "pattern": "^\\S+\\.csv$",
-                    "schema": "assets/schema_input.json",
-                    "description": "Path to comma-separated file containing information about the samples in the experiment.",
-                    "help_text": "You will need to create a design file with information about the samples in your experiment before running the pipeline. Use this parameter to specify its location. It has to be a comma-separated file with 3 columns, and a header row. See [usage docs](https://nf-co.re/taxprofiler/usage#samplesheet-input).",
-                    "fa_icon": "fas fa-file-csv"
-                },
-                "outdir": {
-                    "type": "string",
-                    "format": "directory-path",
-                    "description": "The output directory where the results will be saved. You have to use absolute paths to storage on Cloud infrastructure.",
-                    "fa_icon": "fas fa-folder-open"
-                },
-                "email": {
-                    "type": "string",
-                    "description": "Email address for completion summary.",
-                    "fa_icon": "fas fa-envelope",
-                    "help_text": "Set this parameter to your e-mail address to get a summary e-mail with details of the run sent to you when the workflow exits. If set in your user config file (`~/.nextflow/config`) then you don't need to specify this on the command line for every run.",
-                    "pattern": "^([a-zA-Z0-9_\\-\\.]+)@([a-zA-Z0-9_\\-\\.]+)\\.([a-zA-Z]{2,5})$"
-                },
-                "multiqc_title": {
-                    "type": "string",
-                    "description": "MultiQC report title. Printed as page header, used for filename if not otherwise specified.",
-                    "fa_icon": "fas fa-file-signature"
-                }
-            }
+  "$schema": "http://json-schema.org/draft-07/schema",
+  "$id": "https://raw.githubusercontent.com/nf-core/taxprofiler/master/nextflow_schema.json",
+  "title": "nf-core/taxprofiler pipeline parameters",
+  "description": "Taxonomic profiling of shotgun metagenomic data",
+  "type": "object",
+  "definitions": {
+    "input_output_options": {
+      "title": "Input/output options",
+      "type": "object",
+      "fa_icon": "fas fa-terminal",
+      "description": "Define where the pipeline should find input data and save output data.",
+      "required": ["input", "outdir"],
+      "properties": {
+        "input": {
+          "type": "string",
+          "format": "file-path",
+          "mimetype": "text/csv",
+          "pattern": "^\\S+\\.csv$",
+          "schema": "assets/schema_input.json",
+          "description": "Path to comma-separated file containing information about the samples in the experiment.",
+          "help_text": "You will need to create a design file with information about the samples in your experiment before running the pipeline. Use this parameter to specify its location. It has to be a comma-separated file with 3 columns, and a header row. See [usage docs](https://nf-co.re/taxprofiler/usage#samplesheet-input).",
+          "fa_icon": "fas fa-file-csv"
         },
-        "reference_genome_options": {
-            "title": "Reference genome options",
-            "type": "object",
-            "fa_icon": "fas fa-dna",
-            "description": "Reference genome related files and options required for the workflow.",
-            "properties": {
-                "genome": {
-                    "type": "string",
-                    "description": "Name of iGenomes reference.",
-                    "fa_icon": "fas fa-book",
-                    "help_text": "If using a reference genome configured in the pipeline using iGenomes, use this parameter to give the ID for the reference. This is then used to build the full paths for all required reference genome files e.g. `--genome GRCh38`. \n\nSee the [nf-core website docs](https://nf-co.re/usage/reference_genomes) for more details."
-                },
-                "igenomes_base": {
-                    "type": "string",
-                    "format": "directory-path",
-                    "description": "Directory / URL base for iGenomes references.",
-                    "default": "s3://ngi-igenomes/igenomes",
-                    "fa_icon": "fas fa-cloud-download-alt",
-                    "hidden": true
-                },
-                "igenomes_ignore": {
-                    "type": "boolean",
-                    "description": "Do not load the iGenomes reference config.",
-                    "fa_icon": "fas fa-ban",
-                    "hidden": true,
-                    "help_text": "Do not load `igenomes.config` when running the pipeline. You may choose this option if you observe clashes between custom parameters and those supplied in `igenomes.config`."
-                }
-            }
+        "outdir": {
+          "type": "string",
+          "format": "directory-path",
+          "description": "The output directory where the results will be saved. You have to use absolute paths to storage on Cloud infrastructure.",
+          "fa_icon": "fas fa-folder-open"
         },
-        "institutional_config_options": {
-            "title": "Institutional config options",
-            "type": "object",
-            "fa_icon": "fas fa-university",
-            "description": "Parameters used to describe centralised config profiles. These should not be edited.",
-            "help_text": "The centralised nf-core configuration profiles use a handful of pipeline parameters to describe themselves. This information is then printed to the Nextflow log when you run a pipeline. You should not need to change these values when you run a pipeline.",
-            "properties": {
-                "custom_config_version": {
-                    "type": "string",
-                    "description": "Git commit id for Institutional configs.",
-                    "default": "master",
-                    "hidden": true,
-                    "fa_icon": "fas fa-users-cog"
-                },
-                "custom_config_base": {
-                    "type": "string",
-                    "description": "Base directory for Institutional configs.",
-                    "default": "https://raw.githubusercontent.com/nf-core/configs/master",
-                    "hidden": true,
-                    "help_text": "If you're running offline, Nextflow will not be able to fetch the institutional config files from the internet. If you don't need them, then this is not a problem. If you do need them, you should download the files from the repo and tell Nextflow where to find them with this parameter.",
-                    "fa_icon": "fas fa-users-cog"
-                },
-                "config_profile_name": {
-                    "type": "string",
-                    "description": "Institutional config name.",
-                    "hidden": true,
-                    "fa_icon": "fas fa-users-cog"
-                },
-                "config_profile_description": {
-                    "type": "string",
-                    "description": "Institutional config description.",
-                    "hidden": true,
-                    "fa_icon": "fas fa-users-cog"
-                },
-                "config_profile_contact": {
-                    "type": "string",
-                    "description": "Institutional config contact information.",
-                    "hidden": true,
-                    "fa_icon": "fas fa-users-cog"
-                },
-                "config_profile_url": {
-                    "type": "string",
-                    "description": "Institutional config URL link.",
-                    "hidden": true,
-                    "fa_icon": "fas fa-users-cog"
-                }
-            }
+        "email": {
+          "type": "string",
+          "description": "Email address for completion summary.",
+          "fa_icon": "fas fa-envelope",
+          "help_text": "Set this parameter to your e-mail address to get a summary e-mail with details of the run sent to you when the workflow exits. If set in your user config file (`~/.nextflow/config`) then you don't need to specify this on the command line for every run.",
+          "pattern": "^([a-zA-Z0-9_\\-\\.]+)@([a-zA-Z0-9_\\-\\.]+)\\.([a-zA-Z]{2,5})$"
         },
-        "max_job_request_options": {
-            "title": "Max job request options",
-            "type": "object",
-            "fa_icon": "fab fa-acquisitions-incorporated",
-            "description": "Set the top limit for requested resources for any single job.",
-            "help_text": "If you are running on a smaller system, a pipeline step requesting more resources than are available may cause the Nextflow to stop the run with an error. These options allow you to cap the maximum resources requested by any single job so that the pipeline will run on your system.\n\nNote that you can not _increase_ the resources requested by any job using these options. For that you will need your own configuration file. See [the nf-core website](https://nf-co.re/usage/configuration) for details.",
-            "properties": {
-                "max_cpus": {
-                    "type": "integer",
-                    "description": "Maximum number of CPUs that can be requested for any single job.",
-                    "default": 16,
-                    "fa_icon": "fas fa-microchip",
-                    "hidden": true,
-                    "help_text": "Use to set an upper-limit for the CPU requirement for each process. Should be an integer e.g. `--max_cpus 1`"
-                },
-                "max_memory": {
-                    "type": "string",
-                    "description": "Maximum amount of memory that can be requested for any single job.",
-                    "default": "128.GB",
-                    "fa_icon": "fas fa-memory",
-                    "pattern": "^\\d+(\\.\\d+)?\\.?\\s*(K|M|G|T)?B$",
-                    "hidden": true,
-                    "help_text": "Use to set an upper-limit for the memory requirement for each process. Should be a string in the format integer-unit e.g. `--max_memory '8.GB'`"
-                },
-                "max_time": {
-                    "type": "string",
-                    "description": "Maximum amount of time that can be requested for any single job.",
-                    "default": "240.h",
-                    "fa_icon": "far fa-clock",
-                    "pattern": "^(\\d+\\.?\\s*(s|m|h|day)\\s*)+$",
-                    "hidden": true,
-                    "help_text": "Use to set an upper-limit for the time requirement for each process. Should be a string in the format integer-unit e.g. `--max_time '2.h'`"
-                }
-            }
+        "multiqc_title": {
+          "type": "string",
+          "description": "MultiQC report title. Printed as page header, used for filename if not otherwise specified.",
+          "fa_icon": "fas fa-file-signature"
+        }
+      }
+    },
+    "reference_genome_options": {
+      "title": "Reference genome options",
+      "type": "object",
+      "fa_icon": "fas fa-dna",
+      "description": "Reference genome related files and options required for the workflow.",
+      "properties": {
+        "genome": {
+          "type": "string",
+          "description": "Name of iGenomes reference.",
+          "fa_icon": "fas fa-book",
+          "help_text": "If using a reference genome configured in the pipeline using iGenomes, use this parameter to give the ID for the reference. This is then used to build the full paths for all required reference genome files e.g. `--genome GRCh38`. \n\nSee the [nf-core website docs](https://nf-co.re/usage/reference_genomes) for more details."
         },
-        "generic_options": {
-            "title": "Generic options",
-            "type": "object",
-            "fa_icon": "fas fa-file-import",
-            "description": "Less common options for the pipeline, typically set in a config file.",
-            "help_text": "These options are common to all nf-core pipelines and allow you to customise some of the core preferences for how the pipeline runs.\n\nTypically these options would be set in a Nextflow config file loaded for all pipeline runs, such as `~/.nextflow/config`.",
-            "properties": {
-                "help": {
-                    "type": "boolean",
-                    "description": "Display help text.",
-                    "fa_icon": "fas fa-question-circle",
-                    "hidden": true
-                },
-                "publish_dir_mode": {
-                    "type": "string",
-                    "default": "copy",
-                    "description": "Method used to save pipeline results to output directory.",
-                    "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
-                    "fa_icon": "fas fa-copy",
-                    "enum": [
-                        "symlink",
-                        "rellink",
-                        "link",
-                        "copy",
-                        "copyNoFollow",
-                        "move"
-                    ],
-                    "hidden": true
-                },
-                "email_on_fail": {
-                    "type": "string",
-                    "description": "Email address for completion summary, only when pipeline fails.",
-                    "fa_icon": "fas fa-exclamation-triangle",
-                    "pattern": "^([a-zA-Z0-9_\\-\\.]+)@([a-zA-Z0-9_\\-\\.]+)\\.([a-zA-Z]{2,5})$",
-                    "help_text": "An email address to send a summary email to when the pipeline is completed - ONLY sent if the pipeline does not exit successfully.",
-                    "hidden": true
-                },
-                "plaintext_email": {
-                    "type": "boolean",
-                    "description": "Send plain-text email instead of HTML.",
-                    "fa_icon": "fas fa-remove-format",
-                    "hidden": true
-                },
-                "max_multiqc_email_size": {
-                    "type": "string",
-                    "description": "File size limit when attaching MultiQC reports to summary emails.",
-                    "pattern": "^\\d+(\\.\\d+)?\\.?\\s*(K|M|G|T)?B$",
-                    "default": "25.MB",
-                    "fa_icon": "fas fa-file-upload",
-                    "hidden": true
-                },
-                "monochrome_logs": {
-                    "type": "boolean",
-                    "description": "Do not use coloured log outputs.",
-                    "fa_icon": "fas fa-palette",
-                    "hidden": true
-                },
-                "multiqc_config": {
-                    "type": "string",
-                    "description": "Custom config file to supply to MultiQC.",
-                    "fa_icon": "fas fa-cog",
-                    "hidden": true
-                },
-                "tracedir": {
-                    "type": "string",
-                    "description": "Directory to keep pipeline Nextflow logs and reports.",
-                    "default": "${params.outdir}/pipeline_info",
-                    "fa_icon": "fas fa-cogs",
-                    "hidden": true
-                },
-                "validate_params": {
-                    "type": "boolean",
-                    "description": "Boolean whether to validate parameters against the schema at runtime",
-                    "default": true,
-                    "fa_icon": "fas fa-check-square",
-                    "hidden": true
-                },
-                "show_hidden_params": {
-                    "type": "boolean",
-                    "fa_icon": "far fa-eye-slash",
-                    "description": "Show all params when using `--help`",
-                    "hidden": true,
-                    "help_text": "By default, parameters set as _hidden_ in the schema are not shown on the command line when a user runs with `--help`. Specifying this option will tell the pipeline to show all parameters."
-                },
-                "enable_conda": {
-                    "type": "boolean",
-                    "description": "Run this workflow with Conda. You can also use '-profile conda' instead of providing this parameter.",
-                    "hidden": true,
-                    "fa_icon": "fas fa-bacon"
-                }
-            }
+        "igenomes_base": {
+          "type": "string",
+          "format": "directory-path",
+          "description": "Directory / URL base for iGenomes references.",
+          "default": "s3://ngi-igenomes/igenomes",
+          "fa_icon": "fas fa-cloud-download-alt",
+          "hidden": true
+        },
+        "igenomes_ignore": {
+          "type": "boolean",
+          "description": "Do not load the iGenomes reference config.",
+          "fa_icon": "fas fa-ban",
+          "hidden": true,
+          "help_text": "Do not load `igenomes.config` when running the pipeline. You may choose this option if you observe clashes between custom parameters and those supplied in `igenomes.config`."
         }
+      }
     },
-    "allOf": [
-        {
-            "$ref": "#/definitions/input_output_options"
+    "institutional_config_options": {
+      "title": "Institutional config options",
+      "type": "object",
+      "fa_icon": "fas fa-university",
+      "description": "Parameters used to describe centralised config profiles. These should not be edited.",
+      "help_text": "The centralised nf-core configuration profiles use a handful of pipeline parameters to describe themselves. This information is then printed to the Nextflow log when you run a pipeline. You should not need to change these values when you run a pipeline.",
+      "properties": {
+        "custom_config_version": {
+          "type": "string",
+          "description": "Git commit id for Institutional configs.",
+          "default": "master",
+          "hidden": true,
+          "fa_icon": "fas fa-users-cog"
+        },
+        "custom_config_base": {
+          "type": "string",
+          "description": "Base directory for Institutional configs.",
+          "default": "https://raw.githubusercontent.com/nf-core/configs/master",
+          "hidden": true,
+          "help_text": "If you're running offline, Nextflow will not be able to fetch the institutional config files from the internet. If you don't need them, then this is not a problem. If you do need them, you should download the files from the repo and tell Nextflow where to find them with this parameter.",
+          "fa_icon": "fas fa-users-cog"
         },
-        {
-            "$ref": "#/definitions/reference_genome_options"
+        "config_profile_name": {
+          "type": "string",
+          "description": "Institutional config name.",
+          "hidden": true,
+          "fa_icon": "fas fa-users-cog"
         },
-        {
-            "$ref": "#/definitions/institutional_config_options"
+        "config_profile_description": {
+          "type": "string",
+          "description": "Institutional config description.",
+          "hidden": true,
+          "fa_icon": "fas fa-users-cog"
         },
-        {
-            "$ref": "#/definitions/max_job_request_options"
+        "config_profile_contact": {
+          "type": "string",
+          "description": "Institutional config contact information.",
+          "hidden": true,
+          "fa_icon": "fas fa-users-cog"
         },
-        {
-            "$ref": "#/definitions/generic_options"
+        "config_profile_url": {
+          "type": "string",
+          "description": "Institutional config URL link.",
+          "hidden": true,
+          "fa_icon": "fas fa-users-cog"
         }
-    ],
-    "properties": {
-        "databases": {
-            "type": "string",
-            "default": "None"
+      }
+    },
+    "max_job_request_options": {
+      "title": "Max job request options",
+      "type": "object",
+      "fa_icon": "fab fa-acquisitions-incorporated",
+      "description": "Set the top limit for requested resources for any single job.",
+      "help_text": "If you are running on a smaller system, a pipeline step requesting more resources than are available may cause the Nextflow to stop the run with an error. These options allow you to cap the maximum resources requested by any single job so that the pipeline will run on your system.\n\nNote that you can not _increase_ the resources requested by any job using these options. For that you will need your own configuration file. See [the nf-core website](https://nf-co.re/usage/configuration) for details.",
+      "properties": {
+        "max_cpus": {
+          "type": "integer",
+          "description": "Maximum number of CPUs that can be requested for any single job.",
+          "default": 16,
+          "fa_icon": "fas fa-microchip",
+          "hidden": true,
+          "help_text": "Use to set an upper-limit for the CPU requirement for each process. Should be an integer e.g. `--max_cpus 1`"
         },
-        "shortread_clipmerge": {
-            "type": "boolean"
+        "max_memory": {
+          "type": "string",
+          "description": "Maximum amount of memory that can be requested for any single job.",
+          "default": "128.GB",
+          "fa_icon": "fas fa-memory",
+          "pattern": "^\\d+(\\.\\d+)?\\.?\\s*(K|M|G|T)?B$",
+          "hidden": true,
+          "help_text": "Use to set an upper-limit for the memory requirement for each process. Should be a string in the format integer-unit e.g. `--max_memory '8.GB'`"
         },
-        "shortread_excludeunmerged": {
-            "type": "boolean",
-            "default": true
+        "max_time": {
+          "type": "string",
+          "description": "Maximum amount of time that can be requested for any single job.",
+          "default": "240.h",
+          "fa_icon": "far fa-clock",
+          "pattern": "^(\\d+\\.?\\s*(s|m|h|day)\\s*)+$",
+          "hidden": true,
+          "help_text": "Use to set an upper-limit for the time requirement for each process. Should be a string in the format integer-unit e.g. `--max_time '2.h'`"
+        }
+      }
+    },
+    "generic_options": {
+      "title": "Generic options",
+      "type": "object",
+      "fa_icon": "fas fa-file-import",
+      "description": "Less common options for the pipeline, typically set in a config file.",
+      "help_text": "These options are common to all nf-core pipelines and allow you to customise some of the core preferences for how the pipeline runs.\n\nTypically these options would be set in a Nextflow config file loaded for all pipeline runs, such as `~/.nextflow/config`.",
+      "properties": {
+        "help": {
+          "type": "boolean",
+          "description": "Display help text.",
+          "fa_icon": "fas fa-question-circle",
+          "hidden": true
         },
-        "longread_clip": {
-            "type": "boolean"
+        "publish_dir_mode": {
+          "type": "string",
+          "default": "copy",
+          "description": "Method used to save pipeline results to output directory.",
+          "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
+          "fa_icon": "fas fa-copy",
+          "enum": [
+            "symlink",
+            "rellink",
+            "link",
+            "copy",
+            "copyNoFollow",
+            "move"
+          ],
+          "hidden": true
         },
-        "run_malt": {
-            "type": "boolean"
+        "email_on_fail": {
+          "type": "string",
+          "description": "Email address for completion summary, only when pipeline fails.",
+          "fa_icon": "fas fa-exclamation-triangle",
+          "pattern": "^([a-zA-Z0-9_\\-\\.]+)@([a-zA-Z0-9_\\-\\.]+)\\.([a-zA-Z]{2,5})$",
+          "help_text": "An email address to send a summary email to when the pipeline is completed - ONLY sent if the pipeline does not exit successfully.",
+          "hidden": true
         },
-        "malt_mode": {
-            "type": "string",
-            "default": "BlastN"
+        "plaintext_email": {
+          "type": "boolean",
+          "description": "Send plain-text email instead of HTML.",
+          "fa_icon": "fas fa-remove-format",
+          "hidden": true
         },
-        "run_kraken2": {
-            "type": "boolean"
+        "max_multiqc_email_size": {
+          "type": "string",
+          "description": "File size limit when attaching MultiQC reports to summary emails.",
+          "pattern": "^\\d+(\\.\\d+)?\\.?\\s*(K|M|G|T)?B$",
+          "default": "25.MB",
+          "fa_icon": "fas fa-file-upload",
+          "hidden": true
         },
-        "run_centrifuge": {
-            "type": "boolean"
+        "monochrome_logs": {
+          "type": "boolean",
+          "description": "Do not use coloured log outputs.",
+          "fa_icon": "fas fa-palette",
+          "hidden": true
         },
-        "centrifuge_save_unaligned": {
-            "type": "boolean"
+        "multiqc_config": {
+          "type": "string",
+          "description": "Custom config file to supply to MultiQC.",
+          "fa_icon": "fas fa-cog",
+          "hidden": true
         },
-        "centrifuge_save_aligned": {
-            "type": "boolean"
+        "tracedir": {
+          "type": "string",
+          "description": "Directory to keep pipeline Nextflow logs and reports.",
+          "default": "${params.outdir}/pipeline_info",
+          "fa_icon": "fas fa-cogs",
+          "hidden": true
         },
-        "centrifuge_sam_format": {
-            "type": "boolean"
+        "validate_params": {
+          "type": "boolean",
+          "description": "Boolean whether to validate parameters against the schema at runtime",
+          "default": true,
+          "fa_icon": "fas fa-check-square",
+          "hidden": true
+        },
+        "show_hidden_params": {
+          "type": "boolean",
+          "fa_icon": "far fa-eye-slash",
+          "description": "Show all params when using `--help`",
+          "hidden": true,
+          "help_text": "By default, parameters set as _hidden_ in the schema are not shown on the command line when a user runs with `--help`. Specifying this option will tell the pipeline to show all parameters."
+        },
+        "enable_conda": {
+          "type": "boolean",
+          "description": "Run this workflow with Conda. You can also use '-profile conda' instead of providing this parameter.",
+          "hidden": true,
+          "fa_icon": "fas fa-bacon"
         }
+      }
+    }
+  },
+  "allOf": [
+    {
+      "$ref": "#/definitions/input_output_options"
+    },
+    {
+      "$ref": "#/definitions/reference_genome_options"
+    },
+    {
+      "$ref": "#/definitions/institutional_config_options"
+    },
+    {
+      "$ref": "#/definitions/max_job_request_options"
+    },
+    {
+      "$ref": "#/definitions/generic_options"
+    }
+  ],
+  "properties": {
+    "databases": {
+      "type": "string",
+      "default": "None"
+    },
+    "shortread_clipmerge": {
+      "type": "boolean"
+    },
+    "shortread_excludeunmerged": {
+      "type": "boolean",
+      "default": true
+    },
+    "longread_clip": {
+      "type": "boolean"
+    },
+    "run_malt": {
+      "type": "boolean"
+    },
+    "malt_mode": {
+      "type": "string",
+      "default": "BlastN"
+    },
+    "run_kraken2": {
+      "type": "boolean"
+    },
+    "run_centrifuge": {
+      "type": "boolean"
+    },
+    "centrifuge_save_unaligned": {
+      "type": "boolean"
+    },
+    "centrifuge_save_aligned": {
+      "type": "boolean"
+    },
+    "centrifuge_sam_format": {
+      "type": "boolean"
     }
+  }
 }

From 231253227c7e59c1c108cf4cf4953cb89c4f6f5f Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 28 Mar 2022 16:38:10 +0200
Subject: [PATCH 059/789] Remove run merging for now due to complexity

---
 conf/modules.config                   |  4 +-
 subworkflows/local/shortread_fastp.nf | 17 +++++----
 workflows/taxprofiler.nf              | 55 ++-------------------------
 3 files changed, 14 insertions(+), 62 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 41f471f..a9bc3a1 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -105,7 +105,7 @@ process {
             pattern: '*.{rma6,tab,text,sam,log}'
         ]
         ext.args = { "${meta.db_params}" }
-        ext.prefix = { "${meta.id}-${meta.db_name}" }
+        ext.prefix = { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
     }
 
     withName: KRAKEN2_KRAKEN2 {
@@ -115,7 +115,7 @@ process {
             pattern: '*.{fastq.gz,txt}'
         ]
         ext.args = { "${meta.db_params}" }
-        ext.prefix = { "${meta.id}-${meta.db_name}" }
+        ext.prefix = { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
     }
 
     withName: CUSTOM_DUMPSOFTWAREVERSIONS {
diff --git a/subworkflows/local/shortread_fastp.nf b/subworkflows/local/shortread_fastp.nf
index d4d706e..c2e435c 100644
--- a/subworkflows/local/shortread_fastp.nf
+++ b/subworkflows/local/shortread_fastp.nf
@@ -28,15 +28,16 @@ workflow SHORTREAD_FASTP {
     FASTP_PAIRED ( ch_input_for_fastp.paired, false, params.shortread_clipmerge_mergepairs )
 
     if ( params.shortread_clipmerge_mergepairs ) {
-        // TODO update to replace meta suffix
-        ch_fastp_reads_prepped = FASTP_PAIRED.out.reads_merged
-                                    .mix( FASTP_SINGLE.out.reads )
-                                    .map {
-                                        meta, reads ->
-                                            def meta_new = meta.clone()
-                                            meta_new['single_end'] = 1
-                                            [ meta_new, reads ]
+        ch_fastp_reads_prepped_pe = FASTP_PAIRED.out.reads_merged
+                                        .map {
+                                            meta, reads ->
+                                                def meta_new = meta.clone()
+                                                meta_new['single_end'] = 1
+                                                [ meta_new, reads ]
                                         }
+
+        ch_fastp_reads_prepped = ch_fastp_reads_prepped_pe.mix( FASTP_SINGLE.out.reads )
+
     } else {
         ch_fastp_reads_prepped = FASTP_PAIRED.out.reads
                                     .mix( FASTP_SINGLE.out.reads )
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 8a05720..e73d94d 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -116,63 +116,15 @@ workflow TAXPROFILER {
         ch_longreads_preprocessed = INPUT_CHECK.out.nanopore
     }
 
-    /*
-        MODULE: PERFORM SHORT READ RUN MERGING
-
-    // Remove run accession to allow grouping by sample. Will only merge
-    // if pairment type is the same.
-
-    // TODO Current Branch system currently problematic - when single file not in a list, splits at
-    // `/` so makes list >= 2, so tries to merge, but then breaks kraken downstream
-    // e.g. `home jfellows Documents git nf-core taxprofiler testing work 68 9a2c8362add37832a776058d280bb7 2612_se.merged.fastq.gz`
-    // So theoretically need to force this into a list, (but results the can't access meta.id error as incorrect  input format)
-    // But second issue >= 2 is MAYBE sufficient because what if merging two paired-end files? Need to chcek if the input channel formatted correctly for this? Need to check...
-
-    ch_processed_for_combine = ch_shortreads_preprocessed
-        .dump(tag: "prep_for_combine_grouping")
-        .map {
-            meta, reads ->
-            def meta_new = meta.clone()
-
-            // remove run accession to allow group by sample
-            meta_new.remove('run_accession')
-
-            // update id to prevent file name clashes when unable to group
-            // unmerged PE and SE runs of same sample
-            def type = meta_new['single_end'] ? "_se" : "_pe"
-            meta_new['id'] = meta['id'] + type
-
-            [ meta_new, reads ]
-        }
-        .groupTuple ( by: 0 )
-        .dump(tag: "files_for_cat_fastq_branch")
-        .branch{
-            combine: it[1] && it[1].size() > 1
-            skip: true
-        }
-
-    // NOTE: this does not allow CATing of SE & PE runs of same sample
-    // when --shortread_clipmerge_mergepairs is false
-    ch_processed_for_combine.combine.dump(tag: "input_into_cat_fastq")
-    CAT_FASTQ ( ch_processed_for_combine.combine )
-
-    ch_reads_for_profiling = ch_processed_for_combine.skip
-                                .dump(tag: "skip_combine")
-                                .mix( CAT_FASTQ.out.reads )
-                                .dump(tag: "files_for_profiling")
-    */
-
-    ch_reads_for_profiling = ch_shortreads_preprocessed
-
     /*
         COMBINE READS WITH POSSIBLE DATABASES
     */
 
     // e.g. output [DUMP: reads_plus_db] [['id':'2612', 'run_accession':'combined', 'instrument_platform':'ILLUMINA', 'single_end':1], <reads_path>/2612.merged.fastq.gz, ['tool':'malt', 'db_name':'mal95', 'db_params':'"-id 90"'], <db_path>/malt90]
-    ch_input_for_profiling = ch_reads_for_profiling
+    ch_input_for_profiling = ch_shortreads_preprocessed
             .mix( ch_longreads_preprocessed )
             .combine(DB_CHECK.out.dbs)
-            .dump(tag: "reads_plus_db")
+            .dump(tag: "reads_plus_db_clean")
             .branch {
                 malt:    it[2]['tool'] == 'malt'
                 kraken2: it[2]['tool'] == 'kraken2'
@@ -201,12 +153,11 @@ workflow TAXPROFILER {
                             }
 
     // We can run Kraken2 one-by-one sample-wise
-    // TODO Only flatten when paired-end! Causing issue commented out above!
     ch_input_for_kraken2 =  ch_input_for_profiling.kraken2
                             .dump(tag: "input_to_kraken")
                             .multiMap {
                                 it ->
-                                    reads: [ it[0] + it[2], it[1].flatten() ]
+                                    reads: [ it[0] + it[2], it[1] ]
                                     db: it[3]
                             }
 

From 98dc8014a526209b24bdd55e321c10b2dc007a88 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 28 Mar 2022 16:46:45 +0200
Subject: [PATCH 060/789] Fix kraken2 module

---
 modules.json                                    | 8 ++++----
 modules/nf-core/modules/kraken2/kraken2/main.nf | 3 +--
 2 files changed, 5 insertions(+), 6 deletions(-)

diff --git a/modules.json b/modules.json
index 9e6428a..2494fc1 100644
--- a/modules.json
+++ b/modules.json
@@ -24,12 +24,12 @@
             "multiqc": {
                 "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
             },
-            "untar": {
-                "git_sha": "e080f4c8acf5760039ed12ec1f206170f3f9a918"
-            },
             "porechop": {
                 "git_sha": "e20e57f90b6787ac9a010a980cf6ea98bd990046"
+            },
+            "untar": {
+                "git_sha": "e080f4c8acf5760039ed12ec1f206170f3f9a918"
             }
         }
     }
-}
+}
\ No newline at end of file
diff --git a/modules/nf-core/modules/kraken2/kraken2/main.nf b/modules/nf-core/modules/kraken2/kraken2/main.nf
index 52351f5..3ec5df5 100644
--- a/modules/nf-core/modules/kraken2/kraken2/main.nf
+++ b/modules/nf-core/modules/kraken2/kraken2/main.nf
@@ -32,12 +32,11 @@ process KRAKEN2_KRAKEN2 {
         --threads $task.cpus \\
         --unclassified-out $unclassified \\
         --classified-out $classified \\
-        $args \\
         --report ${prefix}.kraken2.report.txt \\
         --gzip-compressed \\
         $paired \\
+        $args \\
         $reads
-        
 
     pigz -p $task.cpus *.fastq
 

From eada201eb28f3572af5481a6d69e4f87407a352d Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 28 Mar 2022 16:47:37 +0200
Subject: [PATCH 061/789] Prettier

---
 modules.json | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules.json b/modules.json
index 2494fc1..34ef9f1 100644
--- a/modules.json
+++ b/modules.json
@@ -32,4 +32,4 @@
             }
         }
     }
-}
\ No newline at end of file
+}

From 94e5cfef4aa7c2dd69e72e7b1b12439110ed1a09 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 28 Mar 2022 18:20:10 +0200
Subject: [PATCH 062/789] Filter long reads for MALT, bump cpus for FastQC for
 minigut to pass

---
 conf/base.config               |  2 +-
 conf/test.config               | 15 ++++++++++++++-
 subworkflows/local/db_check.nf |  2 +-
 workflows/taxprofiler.nf       |  6 ++++++
 4 files changed, 22 insertions(+), 3 deletions(-)

diff --git a/conf/base.config b/conf/base.config
index 0c65574..2f0f97f 100644
--- a/conf/base.config
+++ b/conf/base.config
@@ -27,7 +27,7 @@ process {
     // TODO nf-core: Customise requirements for specific processes.
     // See https://www.nextflow.io/docs/latest/config.html#config-process-selectors
     withLabel:process_low {
-        cpus   = { check_max( 2     * task.attempt, 'cpus'    ) }
+        cpus   = { check_max( 4     * task.attempt, 'cpus'    ) }
         memory = { check_max( 12.GB * task.attempt, 'memory'  ) }
         time   = { check_max( 4.h   * task.attempt, 'time'    ) }
     }
diff --git a/conf/test.config b/conf/test.config
index 92a10e4..26972df 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -15,7 +15,7 @@ params {
     config_profile_description = 'Minimal test dataset to check pipeline function'
 
     // Limit resources so that this can run on GitHub Actions
-    max_cpus   = 2
+    max_cpus   = 8
     max_memory = '6.GB'
     max_time   = '6.h'
 
@@ -29,3 +29,16 @@ params {
     shortread_clipmerge = true
 
 }
+
+process {
+    withName: FASTQC {
+        cpus   = { check_max( 8     * task.attempt, 'cpus'    ) }
+        memory = { check_max( 6.GB * task.attempt, 'memory'  ) }
+        time   = { check_max( 6.h   * task.attempt, 'time'    ) }
+    }
+    withName: FASTQC_PROCESSED {
+        cpus   = { check_max( 8     * task.attempt, 'cpus'    ) }
+        memory = { check_max( 6.GB * task.attempt, 'memory'  ) }
+        time   = { check_max( 6.h   * task.attempt, 'time'    ) }
+    }
+}
diff --git a/subworkflows/local/db_check.nf b/subworkflows/local/db_check.nf
index 96f815a..bda5cfe 100644
--- a/subworkflows/local/db_check.nf
+++ b/subworkflows/local/db_check.nf
@@ -14,7 +14,7 @@ workflow DB_CHECK {
     // TODO: make database sheet check
     // Checks:
     // 1) no duplicates,
-    // 2) dbs with no special arguments does not have quotes, e.g. just `,,` and NOT `,"",`
+    // 2) args do not have quotes, e.g. just `,,` and NOT `,"",`
     parsed_samplesheet = DATABASE_CHECK ( dbsheet )
         .csv
         .splitCsv ( header:true, sep:',' )
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index e73d94d..af5c54d 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -90,9 +90,11 @@ workflow TAXPROFILER {
         MODULE: Run FastQC
     */
     ch_input_for_fastqc = INPUT_CHECK.out.fastq.mix( INPUT_CHECK.out.nanopore ).dump(tag: "input_to_fastq")
+
     FASTQC (
         ch_input_for_fastqc
     )
+
     ch_versions = ch_versions.mix(FASTQC.out.versions.first())
 
     CUSTOM_DUMPSOFTWAREVERSIONS (
@@ -137,7 +139,11 @@ workflow TAXPROFILER {
 
     // We groupTuple to have all samples in one channel for MALT as database
     // loading takes a long time, so we only want to run it once per database
+    // TODO document somewhere we only accept illumina short reads for MALT?
     ch_input_for_malt =  ch_input_for_profiling.malt
+                            .dump(tag: "input_to_malt_prefilter")
+                            .filter { it[0]['instrument_platform'] == 'ILLUMINA' }
+                            .dump(tag: "input_to_malt_postfilter")
                             .map {
                                 it ->
                                     def temp_meta =  [ id: it[2]['db_name']]  + it[2]

From 04fb6f412752811ac8fc621c8730d418986a1d08 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 28 Mar 2022 20:38:16 +0200
Subject: [PATCH 063/789] Use new resources for test data

---
 conf/test.config | 15 +--------------
 1 file changed, 1 insertion(+), 14 deletions(-)

diff --git a/conf/test.config b/conf/test.config
index 26972df..92a10e4 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -15,7 +15,7 @@ params {
     config_profile_description = 'Minimal test dataset to check pipeline function'
 
     // Limit resources so that this can run on GitHub Actions
-    max_cpus   = 8
+    max_cpus   = 2
     max_memory = '6.GB'
     max_time   = '6.h'
 
@@ -29,16 +29,3 @@ params {
     shortread_clipmerge = true
 
 }
-
-process {
-    withName: FASTQC {
-        cpus   = { check_max( 8     * task.attempt, 'cpus'    ) }
-        memory = { check_max( 6.GB * task.attempt, 'memory'  ) }
-        time   = { check_max( 6.h   * task.attempt, 'time'    ) }
-    }
-    withName: FASTQC_PROCESSED {
-        cpus   = { check_max( 8     * task.attempt, 'cpus'    ) }
-        memory = { check_max( 6.GB * task.attempt, 'memory'  ) }
-        time   = { check_max( 6.h   * task.attempt, 'time'    ) }
-    }
-}

From d25f97c5061ef7759196f04017ec2b7710075e48 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Mon, 28 Mar 2022 22:08:05 +0200
Subject: [PATCH 064/789] Prettier format

---
 nextflow_schema.json | 5 ++++-
 1 file changed, 4 insertions(+), 1 deletion(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index b61a50e..f1b1de0 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,7 +10,10 @@
       "type": "object",
       "fa_icon": "fas fa-terminal",
       "description": "Define where the pipeline should find input data and save output data.",
-      "required": ["input", "outdir"],
+      "required": [
+        "input",
+        "outdir"
+      ],
       "properties": {
         "input": {
           "type": "string",

From c552819c725a51fe2f04af981ebd90c311b33c30 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Mon, 28 Mar 2022 22:15:31 +0200
Subject: [PATCH 065/789] Apply prettier again

---
 nextflow_schema.json | 556 +++++++++++++++++++++----------------------
 1 file changed, 273 insertions(+), 283 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index f1b1de0..0e52ee5 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -1,308 +1,298 @@
 {
-  "$schema": "http://json-schema.org/draft-07/schema",
-  "$id": "https://raw.githubusercontent.com/nf-core/taxprofiler/master/nextflow_schema.json",
-  "title": "nf-core/taxprofiler pipeline parameters",
-  "description": "Taxonomic profiling of shotgun metagenomic data",
-  "type": "object",
-  "definitions": {
-    "input_output_options": {
-      "title": "Input/output options",
-      "type": "object",
-      "fa_icon": "fas fa-terminal",
-      "description": "Define where the pipeline should find input data and save output data.",
-      "required": [
-        "input",
-        "outdir"
-      ],
-      "properties": {
-        "input": {
-          "type": "string",
-          "format": "file-path",
-          "mimetype": "text/csv",
-          "pattern": "^\\S+\\.csv$",
-          "schema": "assets/schema_input.json",
-          "description": "Path to comma-separated file containing information about the samples in the experiment.",
-          "help_text": "You will need to create a design file with information about the samples in your experiment before running the pipeline. Use this parameter to specify its location. It has to be a comma-separated file with 3 columns, and a header row. See [usage docs](https://nf-co.re/taxprofiler/usage#samplesheet-input).",
-          "fa_icon": "fas fa-file-csv"
+    "$schema": "http://json-schema.org/draft-07/schema",
+    "$id": "https://raw.githubusercontent.com/nf-core/taxprofiler/master/nextflow_schema.json",
+    "title": "nf-core/taxprofiler pipeline parameters",
+    "description": "Taxonomic profiling of shotgun metagenomic data",
+    "type": "object",
+    "definitions": {
+        "input_output_options": {
+            "title": "Input/output options",
+            "type": "object",
+            "fa_icon": "fas fa-terminal",
+            "description": "Define where the pipeline should find input data and save output data.",
+            "required": ["input", "outdir"],
+            "properties": {
+                "input": {
+                    "type": "string",
+                    "format": "file-path",
+                    "mimetype": "text/csv",
+                    "pattern": "^\\S+\\.csv$",
+                    "schema": "assets/schema_input.json",
+                    "description": "Path to comma-separated file containing information about the samples in the experiment.",
+                    "help_text": "You will need to create a design file with information about the samples in your experiment before running the pipeline. Use this parameter to specify its location. It has to be a comma-separated file with 3 columns, and a header row. See [usage docs](https://nf-co.re/taxprofiler/usage#samplesheet-input).",
+                    "fa_icon": "fas fa-file-csv"
+                },
+                "outdir": {
+                    "type": "string",
+                    "format": "directory-path",
+                    "description": "The output directory where the results will be saved. You have to use absolute paths to storage on Cloud infrastructure.",
+                    "fa_icon": "fas fa-folder-open"
+                },
+                "email": {
+                    "type": "string",
+                    "description": "Email address for completion summary.",
+                    "fa_icon": "fas fa-envelope",
+                    "help_text": "Set this parameter to your e-mail address to get a summary e-mail with details of the run sent to you when the workflow exits. If set in your user config file (`~/.nextflow/config`) then you don't need to specify this on the command line for every run.",
+                    "pattern": "^([a-zA-Z0-9_\\-\\.]+)@([a-zA-Z0-9_\\-\\.]+)\\.([a-zA-Z]{2,5})$"
+                },
+                "multiqc_title": {
+                    "type": "string",
+                    "description": "MultiQC report title. Printed as page header, used for filename if not otherwise specified.",
+                    "fa_icon": "fas fa-file-signature"
+                }
+            }
         },
-        "outdir": {
-          "type": "string",
-          "format": "directory-path",
-          "description": "The output directory where the results will be saved. You have to use absolute paths to storage on Cloud infrastructure.",
-          "fa_icon": "fas fa-folder-open"
+        "reference_genome_options": {
+            "title": "Reference genome options",
+            "type": "object",
+            "fa_icon": "fas fa-dna",
+            "description": "Reference genome related files and options required for the workflow.",
+            "properties": {
+                "genome": {
+                    "type": "string",
+                    "description": "Name of iGenomes reference.",
+                    "fa_icon": "fas fa-book",
+                    "help_text": "If using a reference genome configured in the pipeline using iGenomes, use this parameter to give the ID for the reference. This is then used to build the full paths for all required reference genome files e.g. `--genome GRCh38`. \n\nSee the [nf-core website docs](https://nf-co.re/usage/reference_genomes) for more details."
+                },
+                "igenomes_base": {
+                    "type": "string",
+                    "format": "directory-path",
+                    "description": "Directory / URL base for iGenomes references.",
+                    "default": "s3://ngi-igenomes/igenomes",
+                    "fa_icon": "fas fa-cloud-download-alt",
+                    "hidden": true
+                },
+                "igenomes_ignore": {
+                    "type": "boolean",
+                    "description": "Do not load the iGenomes reference config.",
+                    "fa_icon": "fas fa-ban",
+                    "hidden": true,
+                    "help_text": "Do not load `igenomes.config` when running the pipeline. You may choose this option if you observe clashes between custom parameters and those supplied in `igenomes.config`."
+                }
+            }
         },
-        "email": {
-          "type": "string",
-          "description": "Email address for completion summary.",
-          "fa_icon": "fas fa-envelope",
-          "help_text": "Set this parameter to your e-mail address to get a summary e-mail with details of the run sent to you when the workflow exits. If set in your user config file (`~/.nextflow/config`) then you don't need to specify this on the command line for every run.",
-          "pattern": "^([a-zA-Z0-9_\\-\\.]+)@([a-zA-Z0-9_\\-\\.]+)\\.([a-zA-Z]{2,5})$"
+        "institutional_config_options": {
+            "title": "Institutional config options",
+            "type": "object",
+            "fa_icon": "fas fa-university",
+            "description": "Parameters used to describe centralised config profiles. These should not be edited.",
+            "help_text": "The centralised nf-core configuration profiles use a handful of pipeline parameters to describe themselves. This information is then printed to the Nextflow log when you run a pipeline. You should not need to change these values when you run a pipeline.",
+            "properties": {
+                "custom_config_version": {
+                    "type": "string",
+                    "description": "Git commit id for Institutional configs.",
+                    "default": "master",
+                    "hidden": true,
+                    "fa_icon": "fas fa-users-cog"
+                },
+                "custom_config_base": {
+                    "type": "string",
+                    "description": "Base directory for Institutional configs.",
+                    "default": "https://raw.githubusercontent.com/nf-core/configs/master",
+                    "hidden": true,
+                    "help_text": "If you're running offline, Nextflow will not be able to fetch the institutional config files from the internet. If you don't need them, then this is not a problem. If you do need them, you should download the files from the repo and tell Nextflow where to find them with this parameter.",
+                    "fa_icon": "fas fa-users-cog"
+                },
+                "config_profile_name": {
+                    "type": "string",
+                    "description": "Institutional config name.",
+                    "hidden": true,
+                    "fa_icon": "fas fa-users-cog"
+                },
+                "config_profile_description": {
+                    "type": "string",
+                    "description": "Institutional config description.",
+                    "hidden": true,
+                    "fa_icon": "fas fa-users-cog"
+                },
+                "config_profile_contact": {
+                    "type": "string",
+                    "description": "Institutional config contact information.",
+                    "hidden": true,
+                    "fa_icon": "fas fa-users-cog"
+                },
+                "config_profile_url": {
+                    "type": "string",
+                    "description": "Institutional config URL link.",
+                    "hidden": true,
+                    "fa_icon": "fas fa-users-cog"
+                }
+            }
         },
-        "multiqc_title": {
-          "type": "string",
-          "description": "MultiQC report title. Printed as page header, used for filename if not otherwise specified.",
-          "fa_icon": "fas fa-file-signature"
-        }
-      }
-    },
-    "reference_genome_options": {
-      "title": "Reference genome options",
-      "type": "object",
-      "fa_icon": "fas fa-dna",
-      "description": "Reference genome related files and options required for the workflow.",
-      "properties": {
-        "genome": {
-          "type": "string",
-          "description": "Name of iGenomes reference.",
-          "fa_icon": "fas fa-book",
-          "help_text": "If using a reference genome configured in the pipeline using iGenomes, use this parameter to give the ID for the reference. This is then used to build the full paths for all required reference genome files e.g. `--genome GRCh38`. \n\nSee the [nf-core website docs](https://nf-co.re/usage/reference_genomes) for more details."
+        "max_job_request_options": {
+            "title": "Max job request options",
+            "type": "object",
+            "fa_icon": "fab fa-acquisitions-incorporated",
+            "description": "Set the top limit for requested resources for any single job.",
+            "help_text": "If you are running on a smaller system, a pipeline step requesting more resources than are available may cause the Nextflow to stop the run with an error. These options allow you to cap the maximum resources requested by any single job so that the pipeline will run on your system.\n\nNote that you can not _increase_ the resources requested by any job using these options. For that you will need your own configuration file. See [the nf-core website](https://nf-co.re/usage/configuration) for details.",
+            "properties": {
+                "max_cpus": {
+                    "type": "integer",
+                    "description": "Maximum number of CPUs that can be requested for any single job.",
+                    "default": 16,
+                    "fa_icon": "fas fa-microchip",
+                    "hidden": true,
+                    "help_text": "Use to set an upper-limit for the CPU requirement for each process. Should be an integer e.g. `--max_cpus 1`"
+                },
+                "max_memory": {
+                    "type": "string",
+                    "description": "Maximum amount of memory that can be requested for any single job.",
+                    "default": "128.GB",
+                    "fa_icon": "fas fa-memory",
+                    "pattern": "^\\d+(\\.\\d+)?\\.?\\s*(K|M|G|T)?B$",
+                    "hidden": true,
+                    "help_text": "Use to set an upper-limit for the memory requirement for each process. Should be a string in the format integer-unit e.g. `--max_memory '8.GB'`"
+                },
+                "max_time": {
+                    "type": "string",
+                    "description": "Maximum amount of time that can be requested for any single job.",
+                    "default": "240.h",
+                    "fa_icon": "far fa-clock",
+                    "pattern": "^(\\d+\\.?\\s*(s|m|h|day)\\s*)+$",
+                    "hidden": true,
+                    "help_text": "Use to set an upper-limit for the time requirement for each process. Should be a string in the format integer-unit e.g. `--max_time '2.h'`"
+                }
+            }
         },
-        "igenomes_base": {
-          "type": "string",
-          "format": "directory-path",
-          "description": "Directory / URL base for iGenomes references.",
-          "default": "s3://ngi-igenomes/igenomes",
-          "fa_icon": "fas fa-cloud-download-alt",
-          "hidden": true
-        },
-        "igenomes_ignore": {
-          "type": "boolean",
-          "description": "Do not load the iGenomes reference config.",
-          "fa_icon": "fas fa-ban",
-          "hidden": true,
-          "help_text": "Do not load `igenomes.config` when running the pipeline. You may choose this option if you observe clashes between custom parameters and those supplied in `igenomes.config`."
+        "generic_options": {
+            "title": "Generic options",
+            "type": "object",
+            "fa_icon": "fas fa-file-import",
+            "description": "Less common options for the pipeline, typically set in a config file.",
+            "help_text": "These options are common to all nf-core pipelines and allow you to customise some of the core preferences for how the pipeline runs.\n\nTypically these options would be set in a Nextflow config file loaded for all pipeline runs, such as `~/.nextflow/config`.",
+            "properties": {
+                "help": {
+                    "type": "boolean",
+                    "description": "Display help text.",
+                    "fa_icon": "fas fa-question-circle",
+                    "hidden": true
+                },
+                "publish_dir_mode": {
+                    "type": "string",
+                    "default": "copy",
+                    "description": "Method used to save pipeline results to output directory.",
+                    "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
+                    "fa_icon": "fas fa-copy",
+                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
+                    "hidden": true
+                },
+                "email_on_fail": {
+                    "type": "string",
+                    "description": "Email address for completion summary, only when pipeline fails.",
+                    "fa_icon": "fas fa-exclamation-triangle",
+                    "pattern": "^([a-zA-Z0-9_\\-\\.]+)@([a-zA-Z0-9_\\-\\.]+)\\.([a-zA-Z]{2,5})$",
+                    "help_text": "An email address to send a summary email to when the pipeline is completed - ONLY sent if the pipeline does not exit successfully.",
+                    "hidden": true
+                },
+                "plaintext_email": {
+                    "type": "boolean",
+                    "description": "Send plain-text email instead of HTML.",
+                    "fa_icon": "fas fa-remove-format",
+                    "hidden": true
+                },
+                "max_multiqc_email_size": {
+                    "type": "string",
+                    "description": "File size limit when attaching MultiQC reports to summary emails.",
+                    "pattern": "^\\d+(\\.\\d+)?\\.?\\s*(K|M|G|T)?B$",
+                    "default": "25.MB",
+                    "fa_icon": "fas fa-file-upload",
+                    "hidden": true
+                },
+                "monochrome_logs": {
+                    "type": "boolean",
+                    "description": "Do not use coloured log outputs.",
+                    "fa_icon": "fas fa-palette",
+                    "hidden": true
+                },
+                "multiqc_config": {
+                    "type": "string",
+                    "description": "Custom config file to supply to MultiQC.",
+                    "fa_icon": "fas fa-cog",
+                    "hidden": true
+                },
+                "tracedir": {
+                    "type": "string",
+                    "description": "Directory to keep pipeline Nextflow logs and reports.",
+                    "default": "${params.outdir}/pipeline_info",
+                    "fa_icon": "fas fa-cogs",
+                    "hidden": true
+                },
+                "validate_params": {
+                    "type": "boolean",
+                    "description": "Boolean whether to validate parameters against the schema at runtime",
+                    "default": true,
+                    "fa_icon": "fas fa-check-square",
+                    "hidden": true
+                },
+                "show_hidden_params": {
+                    "type": "boolean",
+                    "fa_icon": "far fa-eye-slash",
+                    "description": "Show all params when using `--help`",
+                    "hidden": true,
+                    "help_text": "By default, parameters set as _hidden_ in the schema are not shown on the command line when a user runs with `--help`. Specifying this option will tell the pipeline to show all parameters."
+                },
+                "enable_conda": {
+                    "type": "boolean",
+                    "description": "Run this workflow with Conda. You can also use '-profile conda' instead of providing this parameter.",
+                    "hidden": true,
+                    "fa_icon": "fas fa-bacon"
+                }
+            }
         }
-      }
     },
-    "institutional_config_options": {
-      "title": "Institutional config options",
-      "type": "object",
-      "fa_icon": "fas fa-university",
-      "description": "Parameters used to describe centralised config profiles. These should not be edited.",
-      "help_text": "The centralised nf-core configuration profiles use a handful of pipeline parameters to describe themselves. This information is then printed to the Nextflow log when you run a pipeline. You should not need to change these values when you run a pipeline.",
-      "properties": {
-        "custom_config_version": {
-          "type": "string",
-          "description": "Git commit id for Institutional configs.",
-          "default": "master",
-          "hidden": true,
-          "fa_icon": "fas fa-users-cog"
-        },
-        "custom_config_base": {
-          "type": "string",
-          "description": "Base directory for Institutional configs.",
-          "default": "https://raw.githubusercontent.com/nf-core/configs/master",
-          "hidden": true,
-          "help_text": "If you're running offline, Nextflow will not be able to fetch the institutional config files from the internet. If you don't need them, then this is not a problem. If you do need them, you should download the files from the repo and tell Nextflow where to find them with this parameter.",
-          "fa_icon": "fas fa-users-cog"
+    "allOf": [
+        {
+            "$ref": "#/definitions/input_output_options"
         },
-        "config_profile_name": {
-          "type": "string",
-          "description": "Institutional config name.",
-          "hidden": true,
-          "fa_icon": "fas fa-users-cog"
+        {
+            "$ref": "#/definitions/reference_genome_options"
         },
-        "config_profile_description": {
-          "type": "string",
-          "description": "Institutional config description.",
-          "hidden": true,
-          "fa_icon": "fas fa-users-cog"
+        {
+            "$ref": "#/definitions/institutional_config_options"
         },
-        "config_profile_contact": {
-          "type": "string",
-          "description": "Institutional config contact information.",
-          "hidden": true,
-          "fa_icon": "fas fa-users-cog"
+        {
+            "$ref": "#/definitions/max_job_request_options"
         },
-        "config_profile_url": {
-          "type": "string",
-          "description": "Institutional config URL link.",
-          "hidden": true,
-          "fa_icon": "fas fa-users-cog"
+        {
+            "$ref": "#/definitions/generic_options"
         }
-      }
-    },
-    "max_job_request_options": {
-      "title": "Max job request options",
-      "type": "object",
-      "fa_icon": "fab fa-acquisitions-incorporated",
-      "description": "Set the top limit for requested resources for any single job.",
-      "help_text": "If you are running on a smaller system, a pipeline step requesting more resources than are available may cause the Nextflow to stop the run with an error. These options allow you to cap the maximum resources requested by any single job so that the pipeline will run on your system.\n\nNote that you can not _increase_ the resources requested by any job using these options. For that you will need your own configuration file. See [the nf-core website](https://nf-co.re/usage/configuration) for details.",
-      "properties": {
-        "max_cpus": {
-          "type": "integer",
-          "description": "Maximum number of CPUs that can be requested for any single job.",
-          "default": 16,
-          "fa_icon": "fas fa-microchip",
-          "hidden": true,
-          "help_text": "Use to set an upper-limit for the CPU requirement for each process. Should be an integer e.g. `--max_cpus 1`"
+    ],
+    "properties": {
+        "databases": {
+            "type": "string",
+            "default": "None"
         },
-        "max_memory": {
-          "type": "string",
-          "description": "Maximum amount of memory that can be requested for any single job.",
-          "default": "128.GB",
-          "fa_icon": "fas fa-memory",
-          "pattern": "^\\d+(\\.\\d+)?\\.?\\s*(K|M|G|T)?B$",
-          "hidden": true,
-          "help_text": "Use to set an upper-limit for the memory requirement for each process. Should be a string in the format integer-unit e.g. `--max_memory '8.GB'`"
+        "shortread_clipmerge": {
+            "type": "boolean"
         },
-        "max_time": {
-          "type": "string",
-          "description": "Maximum amount of time that can be requested for any single job.",
-          "default": "240.h",
-          "fa_icon": "far fa-clock",
-          "pattern": "^(\\d+\\.?\\s*(s|m|h|day)\\s*)+$",
-          "hidden": true,
-          "help_text": "Use to set an upper-limit for the time requirement for each process. Should be a string in the format integer-unit e.g. `--max_time '2.h'`"
-        }
-      }
-    },
-    "generic_options": {
-      "title": "Generic options",
-      "type": "object",
-      "fa_icon": "fas fa-file-import",
-      "description": "Less common options for the pipeline, typically set in a config file.",
-      "help_text": "These options are common to all nf-core pipelines and allow you to customise some of the core preferences for how the pipeline runs.\n\nTypically these options would be set in a Nextflow config file loaded for all pipeline runs, such as `~/.nextflow/config`.",
-      "properties": {
-        "help": {
-          "type": "boolean",
-          "description": "Display help text.",
-          "fa_icon": "fas fa-question-circle",
-          "hidden": true
+        "shortread_excludeunmerged": {
+            "type": "boolean",
+            "default": true
         },
-        "publish_dir_mode": {
-          "type": "string",
-          "default": "copy",
-          "description": "Method used to save pipeline results to output directory.",
-          "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
-          "fa_icon": "fas fa-copy",
-          "enum": [
-            "symlink",
-            "rellink",
-            "link",
-            "copy",
-            "copyNoFollow",
-            "move"
-          ],
-          "hidden": true
+        "longread_clip": {
+            "type": "boolean"
         },
-        "email_on_fail": {
-          "type": "string",
-          "description": "Email address for completion summary, only when pipeline fails.",
-          "fa_icon": "fas fa-exclamation-triangle",
-          "pattern": "^([a-zA-Z0-9_\\-\\.]+)@([a-zA-Z0-9_\\-\\.]+)\\.([a-zA-Z]{2,5})$",
-          "help_text": "An email address to send a summary email to when the pipeline is completed - ONLY sent if the pipeline does not exit successfully.",
-          "hidden": true
+        "run_malt": {
+            "type": "boolean"
         },
-        "plaintext_email": {
-          "type": "boolean",
-          "description": "Send plain-text email instead of HTML.",
-          "fa_icon": "fas fa-remove-format",
-          "hidden": true
+        "malt_mode": {
+            "type": "string",
+            "default": "BlastN"
         },
-        "max_multiqc_email_size": {
-          "type": "string",
-          "description": "File size limit when attaching MultiQC reports to summary emails.",
-          "pattern": "^\\d+(\\.\\d+)?\\.?\\s*(K|M|G|T)?B$",
-          "default": "25.MB",
-          "fa_icon": "fas fa-file-upload",
-          "hidden": true
+        "run_kraken2": {
+            "type": "boolean"
         },
-        "monochrome_logs": {
-          "type": "boolean",
-          "description": "Do not use coloured log outputs.",
-          "fa_icon": "fas fa-palette",
-          "hidden": true
+        "run_centrifuge": {
+            "type": "boolean"
         },
-        "multiqc_config": {
-          "type": "string",
-          "description": "Custom config file to supply to MultiQC.",
-          "fa_icon": "fas fa-cog",
-          "hidden": true
+        "centrifuge_save_unaligned": {
+            "type": "boolean"
         },
-        "tracedir": {
-          "type": "string",
-          "description": "Directory to keep pipeline Nextflow logs and reports.",
-          "default": "${params.outdir}/pipeline_info",
-          "fa_icon": "fas fa-cogs",
-          "hidden": true
+        "centrifuge_save_aligned": {
+            "type": "boolean"
         },
-        "validate_params": {
-          "type": "boolean",
-          "description": "Boolean whether to validate parameters against the schema at runtime",
-          "default": true,
-          "fa_icon": "fas fa-check-square",
-          "hidden": true
-        },
-        "show_hidden_params": {
-          "type": "boolean",
-          "fa_icon": "far fa-eye-slash",
-          "description": "Show all params when using `--help`",
-          "hidden": true,
-          "help_text": "By default, parameters set as _hidden_ in the schema are not shown on the command line when a user runs with `--help`. Specifying this option will tell the pipeline to show all parameters."
-        },
-        "enable_conda": {
-          "type": "boolean",
-          "description": "Run this workflow with Conda. You can also use '-profile conda' instead of providing this parameter.",
-          "hidden": true,
-          "fa_icon": "fas fa-bacon"
+        "centrifuge_sam_format": {
+            "type": "boolean"
         }
-      }
-    }
-  },
-  "allOf": [
-    {
-      "$ref": "#/definitions/input_output_options"
-    },
-    {
-      "$ref": "#/definitions/reference_genome_options"
-    },
-    {
-      "$ref": "#/definitions/institutional_config_options"
-    },
-    {
-      "$ref": "#/definitions/max_job_request_options"
-    },
-    {
-      "$ref": "#/definitions/generic_options"
-    }
-  ],
-  "properties": {
-    "databases": {
-      "type": "string",
-      "default": "None"
-    },
-    "shortread_clipmerge": {
-      "type": "boolean"
-    },
-    "shortread_excludeunmerged": {
-      "type": "boolean",
-      "default": true
-    },
-    "longread_clip": {
-      "type": "boolean"
-    },
-    "run_malt": {
-      "type": "boolean"
-    },
-    "malt_mode": {
-      "type": "string",
-      "default": "BlastN"
-    },
-    "run_kraken2": {
-      "type": "boolean"
-    },
-    "run_centrifuge": {
-      "type": "boolean"
-    },
-    "centrifuge_save_unaligned": {
-      "type": "boolean"
-    },
-    "centrifuge_save_aligned": {
-      "type": "boolean"
-    },
-    "centrifuge_sam_format": {
-      "type": "boolean"
     }
-  }
 }

From 98a9688329e66814764746a9219580e841e84477 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 29 Mar 2022 15:18:06 +0200
Subject: [PATCH 066/789] Change CPUs back to template, update skiptrim fiag

---
 conf/base.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/conf/base.config b/conf/base.config
index 2f0f97f..0c65574 100644
--- a/conf/base.config
+++ b/conf/base.config
@@ -27,7 +27,7 @@ process {
     // TODO nf-core: Customise requirements for specific processes.
     // See https://www.nextflow.io/docs/latest/config.html#config-process-selectors
     withLabel:process_low {
-        cpus   = { check_max( 4     * task.attempt, 'cpus'    ) }
+        cpus   = { check_max( 2     * task.attempt, 'cpus'    ) }
         memory = { check_max( 12.GB * task.attempt, 'memory'  ) }
         time   = { check_max( 4.h   * task.attempt, 'time'    ) }
     }

From 76e9624e3f04e573a56c1443884b2ca385488319 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 30 Mar 2022 11:31:37 +0200
Subject: [PATCH 067/789] NOW commit the adapte rtrim flag

---
 conf/modules.config  | 2 +-
 nextflow.config      | 2 +-
 nextflow_schema.json | 2 +-
 3 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index a9bc3a1..71eaa75 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -68,7 +68,7 @@ process {
             // collapsing options - option to retain singletons
             params.shortread_clipmerge_excludeunmerged ? '' : "--include_unmerged",
             // trimming options
-            params.shortread_clipmerge_skiptrim ? "--disable_adapter_trimming" : "",
+            params.shortread_clipmerge_skipadaptertrim ? "--disable_adapter_trimming" : "",
             params.shortread_clipmerge_adapter1 ? "--adapter_sequence ${params.shortread_clipmerge_adapter1}" : "",
             !{ ${meta.single_end} } && params.shortread_clipmerge_adapter2 ? "--adapter_sequence_r2 ${params.shortread_clipmerge_adapter2}" : !{ ${meta.single_end} } ? "--detect_adapter_for_pe" : "",
             // filtering options
diff --git a/nextflow.config b/nextflow.config
index a312d0c..6fde513 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -57,7 +57,7 @@ params {
     // FASTQ preprocessing
     shortread_clipmerge                     = false
     shortread_clipmerge_tool                = 'fastp'
-    shortread_clipmerge_skiptrim            = false
+    shortread_clipmerge_skipadaptertrim     = false
     shortread_clipmerge_mergepairs          = false
     shortread_clipmerge_excludeunmerged     = true
     shortread_clipmerge_adapter1            = null
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 545f990..adc5a73 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -286,7 +286,7 @@
             "type": "string",
             "default": "fastp"
         },
-        "shortread_clipmerge_skiptrim": {
+        "shortread_clipmerge_skipadaptertrim": {
             "type": "boolean"
         },
         "shortread_clipmerge_mergepairs": {

From c4c93bd59d5390c7970dea72575ff9bf8fe1707b Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 31 Mar 2022 15:31:45 +0200
Subject: [PATCH 068/789] Start working on adding adapterremoval

---
 modules.json                                  |  5 +-
 .../nf-core/modules/adapterremoval/main.nf    | 70 ++++++++++++++
 .../nf-core/modules/adapterremoval/meta.yml   | 90 ++++++++++++++++++
 nextflow_schema.json                          | 26 ++++--
 .../local/shortread_adapterremoval.nf         | 91 +++++++++++++++++++
 subworkflows/local/shortread_fastp.nf         |  8 +-
 subworkflows/local/shortread_preprocessing.nf |  5 +
 7 files changed, 281 insertions(+), 14 deletions(-)
 create mode 100644 modules/nf-core/modules/adapterremoval/main.nf
 create mode 100644 modules/nf-core/modules/adapterremoval/meta.yml
 create mode 100644 subworkflows/local/shortread_adapterremoval.nf

diff --git a/modules.json b/modules.json
index 34ef9f1..c4b2f12 100644
--- a/modules.json
+++ b/modules.json
@@ -3,6 +3,9 @@
     "homePage": "https://github.com/nf-core/taxprofiler",
     "repos": {
         "nf-core/modules": {
+            "adapterremoval": {
+                "git_sha": "f0800157544a82ae222931764483331a81812012"
+            },
             "cat/fastq": {
                 "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
             },
@@ -32,4 +35,4 @@
             }
         }
     }
-}
+}
\ No newline at end of file
diff --git a/modules/nf-core/modules/adapterremoval/main.nf b/modules/nf-core/modules/adapterremoval/main.nf
new file mode 100644
index 0000000..9d16b9c
--- /dev/null
+++ b/modules/nf-core/modules/adapterremoval/main.nf
@@ -0,0 +1,70 @@
+process ADAPTERREMOVAL {
+    tag "$meta.id"
+    label 'process_medium'
+
+    conda (params.enable_conda ? "bioconda::adapterremoval=2.3.2" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/adapterremoval:2.3.2--hb7ba0dd_0' :
+        'quay.io/biocontainers/adapterremoval:2.3.2--hb7ba0dd_0' }"
+
+    input:
+    tuple val(meta), path(reads)
+    path(adapterlist)
+
+    output:
+    tuple val(meta), path("${prefix}.truncated.gz")            , optional: true, emit: singles_truncated
+    tuple val(meta), path("${prefix}.discarded.gz")            , optional: true, emit: discarded
+    tuple val(meta), path("${prefix}.pair1.truncated.gz")      , optional: true, emit: pair1_truncated
+    tuple val(meta), path("${prefix}.pair2.truncated.gz")      , optional: true, emit: pair2_truncated
+    tuple val(meta), path("${prefix}.collapsed.gz")            , optional: true, emit: collapsed
+    tuple val(meta), path("${prefix}.collapsed.truncated.gz")  , optional: true, emit: collapsed_truncated
+    tuple val(meta), path("${prefix}.paired.gz")               , optional: true, emit: paired_interleaved
+    tuple val(meta), path('*.log')                             , emit: log
+    path "versions.yml"                                        , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def list = adapterlist ? "--adapter-list ${adapterlist}" : ""
+    prefix = task.ext.prefix ?: "${meta.id}"
+
+    if (meta.single_end) {
+        """
+        AdapterRemoval  \\
+            --file1 $reads \\
+            $args \\
+            $adapterlist \\
+            --basename ${prefix} \\
+            --threads ${task.cpus} \\
+            --settings ${prefix}.log \\
+            --seed 42 \\
+            --gzip
+
+        cat <<-END_VERSIONS > versions.yml
+        "${task.process}":
+            adapterremoval: \$(AdapterRemoval --version 2>&1 | sed -e "s/AdapterRemoval ver. //g")
+        END_VERSIONS
+        """
+    } else {
+        """
+        AdapterRemoval  \\
+            --file1 ${reads[0]} \\
+            --file2 ${reads[1]} \\
+            $args \\
+            $adapterlist \\
+            --basename ${prefix} \\
+            --threads $task.cpus \\
+            --settings ${prefix}.log \\
+            --seed 42 \\
+            --gzip
+
+        cat <<-END_VERSIONS > versions.yml
+        "${task.process}":
+            adapterremoval: \$(AdapterRemoval --version 2>&1 | sed -e "s/AdapterRemoval ver. //g")
+        END_VERSIONS
+        """
+    }
+
+}
diff --git a/modules/nf-core/modules/adapterremoval/meta.yml b/modules/nf-core/modules/adapterremoval/meta.yml
new file mode 100644
index 0000000..5faad04
--- /dev/null
+++ b/modules/nf-core/modules/adapterremoval/meta.yml
@@ -0,0 +1,90 @@
+name: adapterremoval
+description: Trim sequencing adapters and collapse overlapping reads
+keywords:
+  - trimming
+  - adapters
+  - merging
+  - fastq
+tools:
+  - adapterremoval:
+      description: The AdapterRemoval v2 tool for merging and clipping reads.
+      homepage: https://github.com/MikkelSchubert/adapterremoval
+      documentation: https://adapterremoval.readthedocs.io
+      licence: ["GPL v3"]
+
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - reads:
+      type: file
+      description: |
+        List of input FastQ files of size 1 and 2 for single-end and paired-end data,
+        respectively.
+      pattern: "*.{fq,fastq,fq.gz,fastq.gz}"
+  - adapterlist:
+      type: file
+      description: Optional text file containing list of adapters to look for for removal
+        with one adapter per line. Otherwise will look for default adapters (see
+        AdapterRemoval man page), or can be modified to remove user-specified
+        adapters via ext.args.
+
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - singles_truncated:
+      type: file
+      description: |
+        Adapter trimmed FastQ files of either single-end reads, or singleton
+        'orphaned' reads from merging of paired-end data (i.e., one of the pair
+        was lost due to filtering thresholds).
+      pattern: "*.truncated.gz"
+  - discarded:
+      type: file
+      description: |
+        Adapter trimmed FastQ files of reads that did not pass filtering
+        thresholds.
+      pattern: "*.discarded.gz"
+  - pair1_truncated:
+      type: file
+      description: |
+        Adapter trimmed R1 FastQ files of paired-end reads that did not merge
+        with their respective R2 pair due to long templates. The respective pair
+        is stored in 'pair2_truncated'.
+      pattern: "*.pair1.truncated.gz"
+  - pair2_truncated:
+      type: file
+      description: |
+        Adapter trimmed R2 FastQ files of paired-end reads that did not merge
+        with their respective R1 pair due to long templates. The respective pair
+        is stored in 'pair1_truncated'.
+      pattern: "*.pair2.truncated.gz"
+  - collapsed:
+      type: file
+      description: |
+        Collapsed FastQ of paired-end reads that successfully merged with their
+        respective R1 pair but were not trimmed.
+      pattern: "*.collapsed.gz"
+  - collapsed_truncated:
+      type: file
+      description: |
+        Collapsed FastQ of paired-end reads that successfully merged with their
+        respective R1 pair and were trimmed of adapter due to sufficient overlap.
+      pattern: "*.collapsed.truncated.gz"
+  - log:
+      type: file
+      description: AdapterRemoval log file
+      pattern: "*.log"
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+
+authors:
+  - "@maxibor"
+  - "@jfy133"
diff --git a/nextflow_schema.json b/nextflow_schema.json
index adc5a73..ebb748a 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,7 +10,10 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["input", "outdir"],
+            "required": [
+                "input",
+                "outdir"
+            ],
             "properties": {
                 "input": {
                     "type": "string",
@@ -173,7 +176,14 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
+                    "enum": [
+                        "symlink",
+                        "rellink",
+                        "link",
+                        "copy",
+                        "copyNoFollow",
+                        "move"
+                    ],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -284,7 +294,11 @@
         },
         "shortread_clipmerge_tool": {
             "type": "string",
-            "default": "fastp"
+            "default": "fastp",
+            "enum": [
+                "fastp",
+                "adapterremoval"
+            ]
         },
         "shortread_clipmerge_skipadaptertrim": {
             "type": "boolean"
@@ -294,15 +308,15 @@
         },
         "shortread_clipmerge_adapter1": {
             "type": "string",
-            "default": null
+            "default": "None"
         },
         "shortread_clipmerge_adapter2": {
             "type": "string",
-            "default": null
+            "default": "None"
         },
         "shortread_clipmerge_minlength": {
             "type": "integer",
             "default": 15
         }
     }
-}
+}
\ No newline at end of file
diff --git a/subworkflows/local/shortread_adapterremoval.nf b/subworkflows/local/shortread_adapterremoval.nf
new file mode 100644
index 0000000..b09356a
--- /dev/null
+++ b/subworkflows/local/shortread_adapterremoval.nf
@@ -0,0 +1,91 @@
+/*
+Process short raw reads with AdapterRemoval
+*/
+
+include { ADAPTERREMOVAL as ADAPTERREMOVAL_SINGLE       } from '../../modules/nf-core/modules/adapterremoval/main'
+include { ADAPTERREMOVAL as ADAPTERREMOVAL_PAIRED       } from '../../modules/nf-core/modules/adapterremoval/main'
+include { CAT_FASTQ                                     } from '../../modules/nf-core/modules/cat/fastq/main'
+
+workflow SHORTREAD_ADAPTERREMOVAL {
+
+    take:
+    reads // [[meta], [reads]]
+
+    main:
+    ch_versions = Channel.empty()
+    ch_multiqc_files      = Channel.empty()
+
+    ch_input_for_adapterremoval = reads
+                                    .dump(tag: "pre_adapterremoval_branch")
+                                    .branch{
+                                        single: it[0]['single_end'] == true
+                                        paired: it[0]['single_end'] == false
+                                    }
+
+    ADAPTERREMOVAL_SINGLE ( ch_input_for_adapterremoval.single, [] )
+    ADAPTERREMOVAL_PAIRED ( ch_input_for_adapterremoval.paired, [] )
+
+    if ( params.shortread_clipmerge_mergepairs && !params.shortread_clipmerge_excludeunmerged ) {
+        ch_adapterremoval_for_cat = ADAPTERREMOVAL_PAIRED.out.collapsed
+                                                .mix(
+                                                    ADAPTERREMOVAL_PAIRED.out.collapsed_truncated,
+                                                    ADAPTERREMOVAL_PAIRED.out.singles_truncated,
+                                                    ADAPTERREMOVAL_PAIRED.out.pair1_truncated,
+                                                    ADAPTERREMOVAL_PAIRED.out.pair2_truncated
+                                                    )
+                                                .map {
+                                                    meta, reads ->
+                                                        def meta_new = meta.clone()
+                                                        meta_new['single_end'] = 1
+
+                                                        [ meta_new, reads ]
+                                                    }
+                                                    .groupTuple(by: 0)
+        ch_adapterremoval_reads_prepped_pe = CAT_FASTQ ( ch_adapterremoval_for_cat ).reads
+
+        ch_adapterremoval_reads_prepped = ch_adapterremoval_reads_prepped_pe.mix( ADAPTERREMOVAL_SINGLE.out.singles_truncated )
+
+    } else if ( params.shortread_clipmerge_mergepairs && params.shortread_clipmerge_excludeunmerged ) {
+            ch_adapterremoval_for_cat = ADAPTERREMOVAL_PAIRED.out.collapsed
+                                                    .mix( ADAPTERREMOVAL_PAIRED.out.collapsed_truncated )
+                                                    .map {
+                                                        meta, reads ->
+                                                            def meta_new = meta.clone()
+                                                            meta_new['single_end'] = 1
+
+                                                            [ meta_new, reads ]
+                                                        }
+                                                        .groupTuple(by: 0)
+
+            ch_adapterremoval_reads_prepped_pe = CAT_FASTQ ( ch_adapterremoval_for_cat ).reads
+
+            ch_adapterremoval_reads_prepped = ch_adapterremoval_reads_prepped_pe.mix( ADAPTERREMOVAL_SINGLE.out.singles_truncated )
+
+    } else {
+
+        ch_adapterremoval_reads_prepped_pe = ADAPTERREMOVAL_PAIRED.out.pair1_truncated
+                                                .join( ADAPTERREMOVAL_PAIRED.out.pair2_truncated )
+                                                .dump(tag: "pre-group")
+                                                .groupTuple(by: 0)
+                                                .dump(tag: "post-group")
+                                                .map { meta, pair1, pair2 ->
+                                                        [ meta, [ pair1, pair2 ].flatten() ]
+                                                }
+                                                .dump(tag: "post-map")
+
+
+        ch_adapterremoval_reads_prepped = ch_adapterremoval_reads_prepped_pe
+                                    .mix( ADAPTERREMOVAL_SINGLE.out.singles_truncated )
+    }
+
+    ch_processed_reads = ch_adapterremoval_reads_prepped
+
+    ch_versions = ch_versions.mix( ADAPTERREMOVAL_SINGLE.out.versions.first() )
+    ch_versions = ch_versions.mix( ADAPTERREMOVAL_PAIRED.out.versions.first() )
+    ch_multiqc_files = ch_multiqc_files.mix( ADAPTERREMOVAL_PAIRED.out.log.collect{it[1]}, ADAPTERREMOVAL_SINGLE.out.log.collect{it[1]} )
+
+    emit:
+    reads    = ch_processed_reads   // channel: [ val(meta), [ reads ] ]
+    versions = ch_versions          // channel: [ versions.yml ]
+    mqc      = ch_multiqc_files
+}
diff --git a/subworkflows/local/shortread_fastp.nf b/subworkflows/local/shortread_fastp.nf
index c2e435c..48817db 100644
--- a/subworkflows/local/shortread_fastp.nf
+++ b/subworkflows/local/shortread_fastp.nf
@@ -14,15 +14,11 @@ workflow SHORTREAD_FASTP {
     ch_multiqc_files      = Channel.empty()
 
     ch_input_for_fastp = reads
-                            .dump(tag: "pre-fastp_branch")
                             .branch{
                                 single: it[0]['single_end'] == true
                                 paired: it[0]['single_end'] == false
                             }
 
-    ch_input_for_fastp.single.dump(tag: "input_fastp_single")
-    ch_input_for_fastp.paired.dump(tag: "input_fastp_paired")
-
     FASTP_SINGLE ( ch_input_for_fastp.single, false, false )
     // Last parameter here turns on merging of PE data
     FASTP_PAIRED ( ch_input_for_fastp.paired, false, params.shortread_clipmerge_mergepairs )
@@ -46,13 +42,11 @@ workflow SHORTREAD_FASTP {
     ch_versions = ch_versions.mix(FASTP_SINGLE.out.versions.first())
     ch_versions = ch_versions.mix(FASTP_PAIRED.out.versions.first())
 
-    ch_processed_reads = ch_fastp_reads_prepped.dump(tag: "ch_fastp_reads_prepped")
+    ch_processed_reads = ch_fastp_reads_prepped
 
     ch_multiqc_files = ch_multiqc_files.mix( FASTP_SINGLE.out.json.collect{it[1]} )
     ch_multiqc_files = ch_multiqc_files.mix( FASTP_PAIRED.out.json.collect{it[1]} )
 
-    ch_multiqc_files.dump(tag: "preprocessing_fastp_mqc_final")
-
     emit:
     reads    = ch_processed_reads   // channel: [ val(meta), [ reads ] ]
     versions = ch_versions          // channel: [ versions.yml ]
diff --git a/subworkflows/local/shortread_preprocessing.nf b/subworkflows/local/shortread_preprocessing.nf
index 7fba0c0..f0a1ed4 100644
--- a/subworkflows/local/shortread_preprocessing.nf
+++ b/subworkflows/local/shortread_preprocessing.nf
@@ -4,6 +4,7 @@
 
 
 include { SHORTREAD_FASTP             } from './shortread_fastp'
+include { SHORTREAD_ADAPTERREMOVAL    } from './shortread_adapterremoval'
 include { FASTQC as FASTQC_PROCESSED       } from '../../modules/nf-core/modules/fastqc/main'
 
 workflow SHORTREAD_PREPROCESSING {
@@ -18,6 +19,10 @@ workflow SHORTREAD_PREPROCESSING {
         ch_processed_reads = SHORTREAD_FASTP ( reads ).reads
         ch_versions        =  ch_versions.mix( SHORTREAD_FASTP.out.versions )
         ch_multiqc_files   =  ch_multiqc_files.mix( SHORTREAD_FASTP.out.mqc )
+    } else if ( params.shortread_clipmerge_tool == "adapterremoval" ) {
+        ch_processed_reads = SHORTREAD_ADAPTERREMOVAL ( reads ).reads
+        ch_versions        =  ch_versions.mix( SHORTREAD_ADAPTERREMOVAL.out.versions )
+        ch_multiqc_files   =  ch_multiqc_files.mix( SHORTREAD_ADAPTERREMOVAL.out.mqc )
     } else {
         ch_processed_reads = reads
     }

From dcda815bfb03697b69f219f26af69708bd2d28b5 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 1 Apr 2022 09:50:08 +0200
Subject: [PATCH 069/789] Add final adapterremoval options to match fastp
 functionality

---
 conf/modules.config                           | 64 +++++++++++++++++--
 nextflow.config                               |  2 +-
 nextflow_schema.json                          | 23 ++-----
 .../local/shortread_adapterremoval.nf         | 10 ++-
 4 files changed, 68 insertions(+), 31 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 71eaa75..dc8b138 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -62,18 +62,34 @@ process {
         ]
     }
 
-    withName: FASTP {
+    withName: FASTP_SINGLE {
+        ext.args   = [
+            // trimming options
+            params.shortread_clipmerge_skipadaptertrim ? "--disable_adapter_trimming" : "",
+            params.shortread_clipmerge_adapter1 ? "--adapter_sequence ${params.shortread_clipmerge_adapter1}" : "",
+            // filtering options
+            "--length_required ${params.shortread_clipmerge_minlength}"
+        ].join(' ').trim()
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
+        publishDir = [
+            path: { "${params.outdir}/fastp" },
+            mode: 'copy',
+            pattern: '*.fastq.gz'
+        ]
+    }
+
+    withName: FASTP_PAIRED {
         ext.args   = [
             // collapsing options - option to retain singletons
             params.shortread_clipmerge_excludeunmerged ? '' : "--include_unmerged",
             // trimming options
             params.shortread_clipmerge_skipadaptertrim ? "--disable_adapter_trimming" : "",
             params.shortread_clipmerge_adapter1 ? "--adapter_sequence ${params.shortread_clipmerge_adapter1}" : "",
-            !{ ${meta.single_end} } && params.shortread_clipmerge_adapter2 ? "--adapter_sequence_r2 ${params.shortread_clipmerge_adapter2}" : !{ ${meta.single_end} } ? "--detect_adapter_for_pe" : "",
+            params.shortread_clipmerge_adapter2 ? "--adapter_sequence_r2 ${params.shortread_clipmerge_adapter2}" : "--detect_adapter_for_pe",
             // filtering options
             "--length_required ${params.shortread_clipmerge_minlength}"
         ].join(' ').trim()
+        ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [
             path: { "${params.outdir}/fastp" },
             mode: 'copy',
@@ -81,6 +97,42 @@ process {
         ]
     }
 
+    withName: ADAPTERREMOVAL_SINGLE {
+        ext.args   = [
+            // trimming options
+            params.shortread_clipmerge_skipadaptertrim ? "--adapter1 '' --adapter2 ''" : "",
+            params.shortread_clipmerge_adapter1 ? "--adapter1 ${params.shortread_clipmerge_adapter1}" : "",
+            // filtering options
+            "--minlength ${params.shortread_clipmerge_minlength}"
+        ].join(' ').trim()
+        ext.prefix = { "${meta.id}_${meta.run_accession}" }
+        publishDir = [
+            path: { "${params.outdir}/adapterremoval" },
+            mode: 'copy',
+            pattern: '*.fastq.gz'
+        ]
+    }
+
+    withName: ADAPTERREMOVAL_PAIRED {
+        ext.args   = [
+            // collapsing options
+            params.shortread_clipmerge_mergepairs ? "--collapse" : "",
+            // trimming options
+            params.shortread_clipmerge_skipadaptertrim ? "--adapter1 '' --adapter2 ''" : "",
+            params.shortread_clipmerge_adapter1 ? "--adapter1 ${params.shortread_clipmerge_adapter1}" : "",
+            params.shortread_clipmerge_adapter2 ? "--adapter2 ${params.shortread_clipmerge_adapter2}" : "",
+            // filtering options
+            "--minlength ${params.shortread_clipmerge_minlength}"
+        ].join(' ').trim()
+        ext.prefix = { "${meta.id}_${meta.run_accession}" }
+        publishDir = [
+            path: { "${params.outdir}/adapterremoval" },
+            mode: 'copy',
+            pattern: '*.fastq.gz'
+        ]
+    }
+
+
     withName: PORECHOP {
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [
@@ -99,23 +151,23 @@ process {
     }
 
     withName: MALT_RUN {
+        ext.args = { "${meta.db_params}" }
+        ext.prefix = { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
             path: { "${params.outdir}/malt/${meta.db_name}" },
             mode: 'copy',
             pattern: '*.{rma6,tab,text,sam,log}'
         ]
-        ext.args = { "${meta.db_params}" }
-        ext.prefix = { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
     }
 
     withName: KRAKEN2_KRAKEN2 {
+        ext.args = { "${meta.db_params}" }
+        ext.prefix = { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
             path: { "${params.outdir}/kraken2/${meta.db_name}" },
             mode: 'copy',
             pattern: '*.{fastq.gz,txt}'
         ]
-        ext.args = { "${meta.db_params}" }
-        ext.prefix = { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
     }
 
     withName: CUSTOM_DUMPSOFTWAREVERSIONS {
diff --git a/nextflow.config b/nextflow.config
index 6fde513..7be36a6 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -59,7 +59,7 @@ params {
     shortread_clipmerge_tool                = 'fastp'
     shortread_clipmerge_skipadaptertrim     = false
     shortread_clipmerge_mergepairs          = false
-    shortread_clipmerge_excludeunmerged     = true
+    shortread_clipmerge_excludeunmerged     = false
     shortread_clipmerge_adapter1            = null
     shortread_clipmerge_adapter2            = null
     shortread_clipmerge_minlength           = 15
diff --git a/nextflow_schema.json b/nextflow_schema.json
index ebb748a..fb2ca31 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,10 +10,7 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": [
-                "input",
-                "outdir"
-            ],
+            "required": ["input", "outdir"],
             "properties": {
                 "input": {
                     "type": "string",
@@ -176,14 +173,7 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": [
-                        "symlink",
-                        "rellink",
-                        "link",
-                        "copy",
-                        "copyNoFollow",
-                        "move"
-                    ],
+                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -277,7 +267,7 @@
         },
         "shortread_clipmerge_excludeunmerged": {
             "type": "boolean",
-            "default": true
+            "default": false
         },
         "longread_clip": {
             "type": "boolean"
@@ -295,10 +285,7 @@
         "shortread_clipmerge_tool": {
             "type": "string",
             "default": "fastp",
-            "enum": [
-                "fastp",
-                "adapterremoval"
-            ]
+            "enum": ["fastp", "adapterremoval"]
         },
         "shortread_clipmerge_skipadaptertrim": {
             "type": "boolean"
@@ -319,4 +306,4 @@
             "default": 15
         }
     }
-}
\ No newline at end of file
+}
diff --git a/subworkflows/local/shortread_adapterremoval.nf b/subworkflows/local/shortread_adapterremoval.nf
index b09356a..b467a64 100644
--- a/subworkflows/local/shortread_adapterremoval.nf
+++ b/subworkflows/local/shortread_adapterremoval.nf
@@ -16,7 +16,6 @@ workflow SHORTREAD_ADAPTERREMOVAL {
     ch_multiqc_files      = Channel.empty()
 
     ch_input_for_adapterremoval = reads
-                                    .dump(tag: "pre_adapterremoval_branch")
                                     .branch{
                                         single: it[0]['single_end'] == true
                                         paired: it[0]['single_end'] == false
@@ -36,11 +35,13 @@ workflow SHORTREAD_ADAPTERREMOVAL {
                                                 .map {
                                                     meta, reads ->
                                                         def meta_new = meta.clone()
-                                                        meta_new['single_end'] = 1
+                                                        meta_new['single_end'] = true
 
                                                         [ meta_new, reads ]
                                                     }
                                                     .groupTuple(by: 0)
+
+
         ch_adapterremoval_reads_prepped_pe = CAT_FASTQ ( ch_adapterremoval_for_cat ).reads
 
         ch_adapterremoval_reads_prepped = ch_adapterremoval_reads_prepped_pe.mix( ADAPTERREMOVAL_SINGLE.out.singles_truncated )
@@ -51,7 +52,7 @@ workflow SHORTREAD_ADAPTERREMOVAL {
                                                     .map {
                                                         meta, reads ->
                                                             def meta_new = meta.clone()
-                                                            meta_new['single_end'] = 1
+                                                            meta_new['single_end'] = true
 
                                                             [ meta_new, reads ]
                                                         }
@@ -65,13 +66,10 @@ workflow SHORTREAD_ADAPTERREMOVAL {
 
         ch_adapterremoval_reads_prepped_pe = ADAPTERREMOVAL_PAIRED.out.pair1_truncated
                                                 .join( ADAPTERREMOVAL_PAIRED.out.pair2_truncated )
-                                                .dump(tag: "pre-group")
                                                 .groupTuple(by: 0)
-                                                .dump(tag: "post-group")
                                                 .map { meta, pair1, pair2 ->
                                                         [ meta, [ pair1, pair2 ].flatten() ]
                                                 }
-                                                .dump(tag: "post-map")
 
 
         ch_adapterremoval_reads_prepped = ch_adapterremoval_reads_prepped_pe

From b04cfec2c2ad651e498bf8b0a21108ccb51a1a0a Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 1 Apr 2022 11:13:36 +0200
Subject: [PATCH 070/789] Prettier linting

---
 CITATIONS.md | 18 +++++++++++++++++-
 modules.json |  2 +-
 2 files changed, 18 insertions(+), 2 deletions(-)

diff --git a/CITATIONS.md b/CITATIONS.md
index 1018ccd..6e43999 100644
--- a/CITATIONS.md
+++ b/CITATIONS.md
@@ -13,9 +13,25 @@
 - [FastQC](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/)
 
 - [MultiQC](https://pubmed.ncbi.nlm.nih.gov/27312411/)
+
   > Ewels P, Magnusson M, Lundin S, Käller M. MultiQC: summarize analysis results for multiple tools and samples in a single report. Bioinformatics. 2016 Oct 1;32(19):3047-8. doi: 10.1093/bioinformatics/btw354. Epub 2016 Jun 16. PubMed PMID: 27312411; PubMed Central PMCID: PMC5039924.
 
-* [Porechop](https://github.com/rrwick/Porechop)
+- [fastp](https://doi.org/10.1093/bioinformatics/bty560)
+
+  > Chen, Shifu, Yanqing Zhou, Yaru Chen, and Jia Gu. 2018. “Fastp: An Ultra-Fast All-in-One FASTQ Preprocessor.” Bioinformatics 34 (17): i884-90. 10.1093/bioinformatics/bty560.
+
+- [AdapterRemoval2](https://doi.org/10.1186/s13104-016-1900-2)
+
+  > Schubert, Mikkel, Stinus Lindgreen, and Ludovic Orlando. 2016. “AdapterRemoval v2: Rapid Adapter Trimming, Identification, and Read Merging.” BMC Research Notes 9 (February): 88. doi:10.1186/s13104-016-1900-2.
+
+- [Porechop](https://github.com/rrwick/Porechop)
+
+- [Kraken2](https://doi.org/10.1186/s13059-019-1891-0)
+
+  > Wood, Derrick E., Jennifer Lu, and Ben Langmead. 2019. “Improved Metagenomic Analysis with Kraken 2.” Genome Biology 20 (1): 257. doi: 10.1186/s13059-019-1891-0.
+
+- [MALT](https://doi.org/10.1038/s41559-017-0446-6)
+  > Vågene, Åshild J., Alexander Herbig, Michael G. Campana, Nelly M. Robles García, Christina Warinner, Susanna Sabin, Maria A. Spyrou, et al. 2018. “Salmonella Enterica Genomes from Victims of a Major Sixteenth-Century Epidemic in Mexico.” Nature Ecology & Evolution 2 (3): 520-28. doi: 10.1038/s41559-017-0446-6.
 
 ## Software packaging/containerisation tools
 
diff --git a/modules.json b/modules.json
index c4b2f12..dcfbd3f 100644
--- a/modules.json
+++ b/modules.json
@@ -35,4 +35,4 @@
             }
         }
     }
-}
\ No newline at end of file
+}

From df4f13319fde9e29d1ed5f0780d60aedccde04e5 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 1 Apr 2022 11:13:57 +0200
Subject: [PATCH 071/789] More linting

---
 CITATIONS.md | 1 +
 1 file changed, 1 insertion(+)

diff --git a/CITATIONS.md b/CITATIONS.md
index 6e43999..8f286b0 100644
--- a/CITATIONS.md
+++ b/CITATIONS.md
@@ -31,6 +31,7 @@
   > Wood, Derrick E., Jennifer Lu, and Ben Langmead. 2019. “Improved Metagenomic Analysis with Kraken 2.” Genome Biology 20 (1): 257. doi: 10.1186/s13059-019-1891-0.
 
 - [MALT](https://doi.org/10.1038/s41559-017-0446-6)
+
   > Vågene, Åshild J., Alexander Herbig, Michael G. Campana, Nelly M. Robles García, Christina Warinner, Susanna Sabin, Maria A. Spyrou, et al. 2018. “Salmonella Enterica Genomes from Victims of a Major Sixteenth-Century Epidemic in Mexico.” Nature Ecology & Evolution 2 (3): 520-28. doi: 10.1038/s41559-017-0446-6.
 
 ## Software packaging/containerisation tools

From 0d0b377dfb00b8ccd48b47be55b9bcba3dcbd582 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 1 Apr 2022 11:19:00 +0200
Subject: [PATCH 072/789] Add additional test

---
 .github/workflows/ci.yml | 6 +++++-
 1 file changed, 5 insertions(+), 1 deletion(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index fb6de77..a8078e5 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -28,6 +28,10 @@ jobs:
           # Test latest edge release of Nextflow
           - NXF_VER: ""
             NXF_EDGE: "1"
+        parameters:
+          - "--shortread_clipmerge_tool fastp"
+          - "--shortread_clipmerge_tool adapterremoval"
+
     steps:
       - name: Check out pipeline code
         uses: actions/checkout@v2
@@ -47,6 +51,6 @@ jobs:
         # For example: adding multiple test runs with different parameters
         # Remember that you can parallelise this by using strategy.matrix
         run: |
-          nextflow run ${GITHUB_WORKSPACE} -profile test,docker --outdir ./results
+          nextflow run ${GITHUB_WORKSPACE} -profile test,docker --outdir ./results ${{ matrix.parameters }}
 
 #

From 14f2b7bd84956a2dadb6c2f69d39baf1c6f3e027 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Fri, 1 Apr 2022 15:34:05 +0200
Subject: [PATCH 073/789] Apply suggestions from code review

Co-authored-by: Moritz E. Beber <midnighter@posteo.net>
---
 subworkflows/local/shortread_adapterremoval.nf | 18 ++++++++----------
 subworkflows/local/shortread_preprocessing.nf  |  4 ++--
 2 files changed, 10 insertions(+), 12 deletions(-)

diff --git a/subworkflows/local/shortread_adapterremoval.nf b/subworkflows/local/shortread_adapterremoval.nf
index b467a64..3701f7e 100644
--- a/subworkflows/local/shortread_adapterremoval.nf
+++ b/subworkflows/local/shortread_adapterremoval.nf
@@ -17,14 +17,16 @@ workflow SHORTREAD_ADAPTERREMOVAL {
 
     ch_input_for_adapterremoval = reads
                                     .branch{
-                                        single: it[0]['single_end'] == true
-                                        paired: it[0]['single_end'] == false
+                                        single: it[0].single_end
+                                        paired: !it[0].single_end
                                     }
 
     ADAPTERREMOVAL_SINGLE ( ch_input_for_adapterremoval.single, [] )
     ADAPTERREMOVAL_PAIRED ( ch_input_for_adapterremoval.paired, [] )
 
     if ( params.shortread_clipmerge_mergepairs && !params.shortread_clipmerge_excludeunmerged ) {
+        // due to the slightly ugly output implementation of the current AdapterRemoval2 module, each file
+        // has to be exported in a separate channel, and we must manually recombine when necessary
         ch_adapterremoval_for_cat = ADAPTERREMOVAL_PAIRED.out.collapsed
                                                 .mix(
                                                     ADAPTERREMOVAL_PAIRED.out.collapsed_truncated,
@@ -35,16 +37,14 @@ workflow SHORTREAD_ADAPTERREMOVAL {
                                                 .map {
                                                     meta, reads ->
                                                         def meta_new = meta.clone()
-                                                        meta_new['single_end'] = true
+                                                        meta_new.single_end = true
 
                                                         [ meta_new, reads ]
                                                     }
-                                                    .groupTuple(by: 0)
+                                                    .groupTuple()
 
 
-        ch_adapterremoval_reads_prepped_pe = CAT_FASTQ ( ch_adapterremoval_for_cat ).reads
-
-        ch_adapterremoval_reads_prepped = ch_adapterremoval_reads_prepped_pe.mix( ADAPTERREMOVAL_SINGLE.out.singles_truncated )
+        ch_adapterremoval_reads_prepped = CAT_FASTQ ( ch_adapterremoval_for_cat ).reads.mix( ADAPTERREMOVAL_SINGLE.out.singles_truncated )
 
     } else if ( params.shortread_clipmerge_mergepairs && params.shortread_clipmerge_excludeunmerged ) {
             ch_adapterremoval_for_cat = ADAPTERREMOVAL_PAIRED.out.collapsed
@@ -58,9 +58,7 @@ workflow SHORTREAD_ADAPTERREMOVAL {
                                                         }
                                                         .groupTuple(by: 0)
 
-            ch_adapterremoval_reads_prepped_pe = CAT_FASTQ ( ch_adapterremoval_for_cat ).reads
-
-            ch_adapterremoval_reads_prepped = ch_adapterremoval_reads_prepped_pe.mix( ADAPTERREMOVAL_SINGLE.out.singles_truncated )
+            ch_adapterremoval_reads_prepped = CAT_FASTQ ( ch_adapterremoval_for_cat ).reads.mix( ADAPTERREMOVAL_SINGLE.out.singles_truncated )
 
     } else {
 
diff --git a/subworkflows/local/shortread_preprocessing.nf b/subworkflows/local/shortread_preprocessing.nf
index f0a1ed4..1d0caac 100644
--- a/subworkflows/local/shortread_preprocessing.nf
+++ b/subworkflows/local/shortread_preprocessing.nf
@@ -21,8 +21,8 @@ workflow SHORTREAD_PREPROCESSING {
         ch_multiqc_files   =  ch_multiqc_files.mix( SHORTREAD_FASTP.out.mqc )
     } else if ( params.shortread_clipmerge_tool == "adapterremoval" ) {
         ch_processed_reads = SHORTREAD_ADAPTERREMOVAL ( reads ).reads
-        ch_versions        =  ch_versions.mix( SHORTREAD_ADAPTERREMOVAL.out.versions )
-        ch_multiqc_files   =  ch_multiqc_files.mix( SHORTREAD_ADAPTERREMOVAL.out.mqc )
+        ch_versions        = ch_versions.mix( SHORTREAD_ADAPTERREMOVAL.out.versions )
+        ch_multiqc_files   = ch_multiqc_files.mix( SHORTREAD_ADAPTERREMOVAL.out.mqc )
     } else {
         ch_processed_reads = reads
     }

From 03e832954f89e43a641033dcae059c1870c08b2e Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Fri, 1 Apr 2022 20:55:33 +0200
Subject: [PATCH 074/789] Update subworkflows/local/shortread_adapterremoval.nf

Co-authored-by: Moritz E. Beber <midnighter@posteo.net>
---
 subworkflows/local/shortread_adapterremoval.nf | 7 ++-----
 1 file changed, 2 insertions(+), 5 deletions(-)

diff --git a/subworkflows/local/shortread_adapterremoval.nf b/subworkflows/local/shortread_adapterremoval.nf
index 3701f7e..ac8ff0f 100644
--- a/subworkflows/local/shortread_adapterremoval.nf
+++ b/subworkflows/local/shortread_adapterremoval.nf
@@ -62,15 +62,12 @@ workflow SHORTREAD_ADAPTERREMOVAL {
 
     } else {
 
-        ch_adapterremoval_reads_prepped_pe = ADAPTERREMOVAL_PAIRED.out.pair1_truncated
+        ch_adapterremoval_reads_prepped = ADAPTERREMOVAL_PAIRED.out.pair1_truncated
                                                 .join( ADAPTERREMOVAL_PAIRED.out.pair2_truncated )
-                                                .groupTuple(by: 0)
+                                                .groupTuple()
                                                 .map { meta, pair1, pair2 ->
                                                         [ meta, [ pair1, pair2 ].flatten() ]
                                                 }
-
-
-        ch_adapterremoval_reads_prepped = ch_adapterremoval_reads_prepped_pe
                                     .mix( ADAPTERREMOVAL_SINGLE.out.singles_truncated )
     }
 

From 93aaa9eeacbf6211646853be0f4e18a94574e2f1 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 1 Apr 2022 21:36:22 +0200
Subject: [PATCH 075/789] Clean up AdapterRemoval and remove all debugging
 dumps

---
 subworkflows/local/db_check.nf                |  2 --
 subworkflows/local/input_check.nf             |  4 ---
 subworkflows/local/longread_preprocessing.nf  |  1 -
 .../local/shortread_adapterremoval.nf         | 32 ++++++++++---------
 workflows/taxprofiler.nf                      |  6 +---
 5 files changed, 18 insertions(+), 27 deletions(-)

diff --git a/subworkflows/local/db_check.nf b/subworkflows/local/db_check.nf
index bda5cfe..356915a 100644
--- a/subworkflows/local/db_check.nf
+++ b/subworkflows/local/db_check.nf
@@ -18,9 +18,7 @@ workflow DB_CHECK {
     parsed_samplesheet = DATABASE_CHECK ( dbsheet )
         .csv
         .splitCsv ( header:true, sep:',' )
-        .dump(tag: "db_split_csv_out")
         .map { create_db_channels(it) }
-        .dump(tag: "db_channel_prepped")
 
     ch_dbs_for_untar = parsed_samplesheet
         .branch {
diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index 4501386..ec404c2 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -12,7 +12,6 @@ workflow INPUT_CHECK {
     parsed_samplesheet = SAMPLESHEET_CHECK ( samplesheet )
         .csv
         .splitCsv ( header:true, sep:',' )
-        .dump(tag: "input_split_csv_out")
         .branch {
             fasta: it['fasta'] != ''
             nanopore: it['instrument_platform'] == 'OXFORD_NANOPORE'
@@ -21,17 +20,14 @@ workflow INPUT_CHECK {
 
     parsed_samplesheet.fastq
         .map { create_fastq_channel(it) }
-        .dump(tag: "fastq_channel_init")
         .set { fastq }
 
     parsed_samplesheet.nanopore
         .map { create_fastq_channel(it) }
-        .dump(tag: "fastq_nanopore_channel_init")
         .set { nanopore }
 
     parsed_samplesheet.fasta
         .map { create_fasta_channel(it) }
-        .dump(tag: "fasta_channel_init")
         .set { fasta }
 
     emit:
diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf
index 7c7c24b..a1515c7 100644
--- a/subworkflows/local/longread_preprocessing.nf
+++ b/subworkflows/local/longread_preprocessing.nf
@@ -16,7 +16,6 @@ workflow LONGREAD_PREPROCESSING {
     PORECHOP ( reads )
 
     ch_processed_reads = PORECHOP.out.reads
-                                .dump(tag: "pre_fastqc_check")
                                 .map {
                                         meta, reads ->
                                         def meta_new = meta.clone()
diff --git a/subworkflows/local/shortread_adapterremoval.nf b/subworkflows/local/shortread_adapterremoval.nf
index ac8ff0f..5e005db 100644
--- a/subworkflows/local/shortread_adapterremoval.nf
+++ b/subworkflows/local/shortread_adapterremoval.nf
@@ -24,9 +24,10 @@ workflow SHORTREAD_ADAPTERREMOVAL {
     ADAPTERREMOVAL_SINGLE ( ch_input_for_adapterremoval.single, [] )
     ADAPTERREMOVAL_PAIRED ( ch_input_for_adapterremoval.paired, [] )
 
+    // due to the slightly ugly output implementation of the current AdapterRemoval2 version, each file
+    // has to be exported in a separate channel, and we must manually recombine when necessary
+
     if ( params.shortread_clipmerge_mergepairs && !params.shortread_clipmerge_excludeunmerged ) {
-        // due to the slightly ugly output implementation of the current AdapterRemoval2 module, each file
-        // has to be exported in a separate channel, and we must manually recombine when necessary
         ch_adapterremoval_for_cat = ADAPTERREMOVAL_PAIRED.out.collapsed
                                                 .mix(
                                                     ADAPTERREMOVAL_PAIRED.out.collapsed_truncated,
@@ -43,22 +44,23 @@ workflow SHORTREAD_ADAPTERREMOVAL {
                                                     }
                                                     .groupTuple()
 
-
-        ch_adapterremoval_reads_prepped = CAT_FASTQ ( ch_adapterremoval_for_cat ).reads.mix( ADAPTERREMOVAL_SINGLE.out.singles_truncated )
+        ch_adapterremoval_reads_prepped = CAT_FASTQ ( ch_adapterremoval_for_cat ).reads
+                                            .mix( ADAPTERREMOVAL_SINGLE.out.singles_truncated )
 
     } else if ( params.shortread_clipmerge_mergepairs && params.shortread_clipmerge_excludeunmerged ) {
-            ch_adapterremoval_for_cat = ADAPTERREMOVAL_PAIRED.out.collapsed
-                                                    .mix( ADAPTERREMOVAL_PAIRED.out.collapsed_truncated )
-                                                    .map {
-                                                        meta, reads ->
-                                                            def meta_new = meta.clone()
-                                                            meta_new['single_end'] = true
+        ch_adapterremoval_for_cat = ADAPTERREMOVAL_PAIRED.out.collapsed
+                                                .mix( ADAPTERREMOVAL_PAIRED.out.collapsed_truncated )
+                                                .map {
+                                                    meta, reads ->
+                                                        def meta_new = meta.clone()
+                                                        meta_new['single_end'] = true
 
-                                                            [ meta_new, reads ]
-                                                        }
-                                                        .groupTuple(by: 0)
+                                                        [ meta_new, reads ]
+                                                    }
+                                                    .groupTuple(by: 0)
 
-            ch_adapterremoval_reads_prepped = CAT_FASTQ ( ch_adapterremoval_for_cat ).reads.mix( ADAPTERREMOVAL_SINGLE.out.singles_truncated )
+        ch_adapterremoval_reads_prepped = CAT_FASTQ ( ch_adapterremoval_for_cat ).reads
+                                            .mix( ADAPTERREMOVAL_SINGLE.out.singles_truncated )
 
     } else {
 
@@ -68,7 +70,7 @@ workflow SHORTREAD_ADAPTERREMOVAL {
                                                 .map { meta, pair1, pair2 ->
                                                         [ meta, [ pair1, pair2 ].flatten() ]
                                                 }
-                                    .mix( ADAPTERREMOVAL_SINGLE.out.singles_truncated )
+                                            .mix( ADAPTERREMOVAL_SINGLE.out.singles_truncated )
     }
 
     ch_processed_reads = ch_adapterremoval_reads_prepped
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index af5c54d..ce89a91 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -18,6 +18,7 @@ for (param in checkPathParamList) { if (param) { file(param, checkIfExists: true
 if (params.input    ) { ch_input     = file(params.input)     } else { exit 1, 'Input samplesheet not specified!' }
 if (params.databases) { ch_databases = file(params.databases) } else { exit 1, 'Input database sheet not specified!' }
 if (params.shortread_clipmerge_mergepairs && params.run_malt ) log.warn "[nf-core/taxprofiler] warning: MALT does not except uncollapsed paired-reads. Pairs will be profiled as separate files."
+if (params.shortread_clipmerge_excludeunmerged && !params.shortread_clipmerge_mergepairs) exit 1, "[nf-core/taxprofiler] error: cannot include unmerged reads when merging not turned on. Please specify --shortread_clipmerge_mergepairs"
 
 /*
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
@@ -126,7 +127,6 @@ workflow TAXPROFILER {
     ch_input_for_profiling = ch_shortreads_preprocessed
             .mix( ch_longreads_preprocessed )
             .combine(DB_CHECK.out.dbs)
-            .dump(tag: "reads_plus_db_clean")
             .branch {
                 malt:    it[2]['tool'] == 'malt'
                 kraken2: it[2]['tool'] == 'kraken2'
@@ -141,9 +141,7 @@ workflow TAXPROFILER {
     // loading takes a long time, so we only want to run it once per database
     // TODO document somewhere we only accept illumina short reads for MALT?
     ch_input_for_malt =  ch_input_for_profiling.malt
-                            .dump(tag: "input_to_malt_prefilter")
                             .filter { it[0]['instrument_platform'] == 'ILLUMINA' }
-                            .dump(tag: "input_to_malt_postfilter")
                             .map {
                                 it ->
                                     def temp_meta =  [ id: it[2]['db_name']]  + it[2]
@@ -151,7 +149,6 @@ workflow TAXPROFILER {
                                     [ temp_meta, it[1], db ]
                             }
                             .groupTuple(by: [0,2])
-                            .dump(tag: "input_to_malt")
                             .multiMap {
                                 it ->
                                     reads: [ it[0], it[1].flatten() ]
@@ -160,7 +157,6 @@ workflow TAXPROFILER {
 
     // We can run Kraken2 one-by-one sample-wise
     ch_input_for_kraken2 =  ch_input_for_profiling.kraken2
-                            .dump(tag: "input_to_kraken")
                             .multiMap {
                                 it ->
                                     reads: [ it[0] + it[2], it[1] ]

From 4d2960c06fedfb052ce38b70c90197ea8ae8f9fc Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Fri, 18 Mar 2022 15:38:19 +0100
Subject: [PATCH 076/789] chore: add metaphlan3 module

---
 modules.json                                |  3 ++
 modules/nf-core/modules/metaphlan3/main.nf  | 45 ++++++++++++++++++
 modules/nf-core/modules/metaphlan3/meta.yml | 52 +++++++++++++++++++++
 3 files changed, 100 insertions(+)
 create mode 100644 modules/nf-core/modules/metaphlan3/main.nf
 create mode 100644 modules/nf-core/modules/metaphlan3/meta.yml

diff --git a/modules.json b/modules.json
index dcfbd3f..9953edb 100644
--- a/modules.json
+++ b/modules.json
@@ -24,6 +24,9 @@
             "malt/run": {
                 "git_sha": "72b96f4e504eef673f2b5c13560a9d90b669129b"
             },
+            "metaphlan3": {
+                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
+            },
             "multiqc": {
                 "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
             },
diff --git a/modules/nf-core/modules/metaphlan3/main.nf b/modules/nf-core/modules/metaphlan3/main.nf
new file mode 100644
index 0000000..3fc6b27
--- /dev/null
+++ b/modules/nf-core/modules/metaphlan3/main.nf
@@ -0,0 +1,45 @@
+process METAPHLAN3 {
+    tag "$meta.id"
+    label 'process_high'
+
+    conda (params.enable_conda ? 'bioconda::metaphlan=3.0.12' : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/metaphlan:3.0.12--pyhb7b1952_0' :
+        'quay.io/biocontainers/metaphlan:3.0.12--pyhb7b1952_0' }"
+
+    input:
+    tuple val(meta), path(input)
+    path metaphlan_db
+
+    output:
+    tuple val(meta), path("*_profile.txt")   ,                emit: profile
+    tuple val(meta), path("*.biom")          ,                emit: biom
+    tuple val(meta), path('*.bowtie2out.txt'), optional:true, emit: bt2out
+    path "versions.yml"                      ,                emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    def input_type  = ("$input".endsWith(".fastq.gz")) ? "--input_type fastq" :  ("$input".contains(".fasta")) ? "--input_type fasta" : ("$input".endsWith(".bowtie2out.txt")) ? "--input_type bowtie2out" : "--input_type sam"
+    def input_data  = ("$input_type".contains("fastq")) && !meta.single_end ? "${input[0]},${input[1]}" : "$input"
+    def bowtie2_out = "$input_type" == "--input_type bowtie2out" || "$input_type" == "--input_type sam" ? '' : "--bowtie2out ${prefix}.bowtie2out.txt"
+
+    """
+    metaphlan \\
+        --nproc $task.cpus \\
+        $input_type \\
+        $input_data \\
+        $args \\
+        $bowtie2_out \\
+        --bowtie2db ${metaphlan_db} \\
+        --biom ${prefix}.biom \\
+        --output_file ${prefix}_profile.txt
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        metaphlan3: \$(metaphlan --version 2>&1 | awk '{print \$3}')
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/modules/metaphlan3/meta.yml b/modules/nf-core/modules/metaphlan3/meta.yml
new file mode 100644
index 0000000..d10a27d
--- /dev/null
+++ b/modules/nf-core/modules/metaphlan3/meta.yml
@@ -0,0 +1,52 @@
+name: metaphlan3
+description: MetaPhlAn is a tool for profiling the composition of microbial communities from metagenomic shotgun sequencing data.
+keywords:
+  - metagenomics
+  - classification
+  - fastq
+  - bam
+  - fasta
+tools:
+  - metaphlan3:
+      description: Identify clades (phyla to species) present in the metagenome obtained from a microbiome sample and their relative abundance
+      homepage: https://huttenhower.sph.harvard.edu/metaphlan/
+      documentation: https://github.com/biobakery/MetaPhlAn
+      doi: "10.7554/eLife.65088"
+      licence: ["MIT License"]
+
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - input:
+      type: file
+      description: Metaphlan 3.0 can classify the metagenome from a variety of input data types, including FASTQ files (single-end and paired-end), FASTA, bowtie2-produced SAM files (produced from alignments to the MetaPHlAn marker database) and intermediate bowtie2 alignment files (bowtie2out)
+      pattern: "*.{fastq.gz, fasta, fasta.gz, sam, bowtie2out.txt}"
+
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+  - profile:
+      type: file
+      description: Tab-separated output file of the predicted taxon relative abundances
+      pattern: "*.{txt}"
+  - biom:
+      type: file
+      description: General-use format for representing biological sample by observation contingency tables
+      pattern: "*.{biom}"
+  - bowtie2out:
+      type: file
+      description: Intermediate Bowtie2 output produced from mapping the metagenome against the MetaPHlAn marker database ( not compatible with `bowtie2out` files generated with MetaPhlAn versions below 3 )
+      pattern: "*.{bowtie2out.txt}"
+
+authors:
+  - "@MGordon09"

From 69db9206108c7926a25b45aba7401e406e36b4c3 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Fri, 18 Mar 2022 16:01:33 +0100
Subject: [PATCH 077/789] feat: include metaphlan3 in workflow

---
 workflows/taxprofiler.nf | 14 +++++++++++++-
 1 file changed, 13 insertions(+), 1 deletion(-)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index ce89a91..a61580c 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -60,7 +60,7 @@ include { CUSTOM_DUMPSOFTWAREVERSIONS } from '../modules/nf-core/modules/custom/
 include { CAT_FASTQ                   } from '../modules/nf-core/modules/cat/fastq/main'
 include { MALT_RUN                    } from '../modules/nf-core/modules/malt/run/main'
 include { KRAKEN2_KRAKEN2             } from '../modules/nf-core/modules/kraken2/kraken2/main'
-
+include { METAPHLAN3                  } from '../modules/nf-core/modules/metaphlan3/main'
 
 /*
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
@@ -130,6 +130,7 @@ workflow TAXPROFILER {
             .branch {
                 malt:    it[2]['tool'] == 'malt'
                 kraken2: it[2]['tool'] == 'kraken2'
+                metaphlan3: it[2]['tool'] == 'metaphlan3'
                 unknown: true
             }
 
@@ -163,6 +164,13 @@ workflow TAXPROFILER {
                                     db: it[3]
                             }
 
+    ch_input_for_metaphlan3 = ch_input_for_profiling.metaphlan3
+                            .multiMap {
+                                it ->
+                                    reads: [ it[0] + it[2], it[1] ]
+                                    db: it[3]
+                            }
+
     /*
         MODULE: RUN PROFILING
     */
@@ -174,6 +182,10 @@ workflow TAXPROFILER {
         KRAKEN2_KRAKEN2 ( ch_input_for_kraken2.reads, ch_input_for_kraken2.db  )
     }
 
+    if ( params.run_metaphlan3 ) {
+        METAPHLAN3 ( ch_input_for_metaphlan3.reads, ch_input_for_metaphlan3.db )
+    }
+
     /*
         MODULE: MultiQC
     */

From a425a322f294f49f0588123a555533e292bacfc7 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Fri, 18 Mar 2022 20:50:18 +0100
Subject: [PATCH 078/789] refactor: make metaphlan3 run in workflow

---
 nextflow.config                   | 3 +++
 subworkflows/local/input_check.nf | 6 +++---
 workflows/taxprofiler.nf          | 3 ++-
 3 files changed, 8 insertions(+), 4 deletions(-)

diff --git a/nextflow.config b/nextflow.config
index 7be36a6..9f3b103 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -71,6 +71,9 @@ params {
 
     // kraken2
     run_kraken2                = false
+
+    // metaphlan3
+    run_metaphlan3             = false
 }
 
 // Load base.config by default for all pipelines
diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index ec404c2..e8669b3 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -31,9 +31,9 @@ workflow INPUT_CHECK {
         .set { fasta }
 
     emit:
-    fastq                                     // channel: [ val(meta), [ reads ] ]
-    nanopore                                  // channel: [ val(meta), [ reads ] ]
-    fasta                                     // channel: [ val(meta), fasta ]
+    fastq = fastq ?: []                       // channel: [ val(meta), [ reads ] ]
+    nanopore = nanopore ?: []                 // channel: [ val(meta), [ reads ] ]
+    fasta = fasta ?: []                       // channel: [ val(meta), fasta ]
     versions = SAMPLESHEET_CHECK.out.versions // channel: [ versions.yml ]
 }
 
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index a61580c..99a1685 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -165,9 +165,10 @@ workflow TAXPROFILER {
                             }
 
     ch_input_for_metaphlan3 = ch_input_for_profiling.metaphlan3
+                            .dump(tag: "input_metaphlan3")
                             .multiMap {
                                 it ->
-                                    reads: [ it[0] + it[2], it[1] ]
+                                    reads: [it[0] + it[2], it[1][0]]
                                     db: it[3]
                             }
 

From fb9afa013afa33c08554a740b73bd18ee6a1d57e Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Fri, 1 Apr 2022 16:33:22 +0200
Subject: [PATCH 079/789] fix: add metaphlan parameter to schema

---
 nextflow_schema.json | 20 +++++++++++++++++---
 1 file changed, 17 insertions(+), 3 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index fb2ca31..358ba64 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,7 +10,10 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["input", "outdir"],
+            "required": [
+                "input",
+                "outdir"
+            ],
             "properties": {
                 "input": {
                     "type": "string",
@@ -173,7 +176,14 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
+                    "enum": [
+                        "symlink",
+                        "rellink",
+                        "link",
+                        "copy",
+                        "copyNoFollow",
+                        "move"
+                    ],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -282,6 +292,10 @@
         "run_kraken2": {
             "type": "boolean"
         },
+        "run_metaphlan3": {
+            "type": "boolean",
+            "description": "Enable MetaPhlAn for taxonomic profiling"
+        },
         "shortread_clipmerge_tool": {
             "type": "string",
             "default": "fastp",
@@ -306,4 +320,4 @@
             "default": 15
         }
     }
-}
+}
\ No newline at end of file

From e579f9f5f33899336ea449eea41302ec0e8657f0 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Sat, 2 Apr 2022 00:28:54 +0200
Subject: [PATCH 080/789] style: apply prettier

---
 nextflow_schema.json | 16 +++-------------
 1 file changed, 3 insertions(+), 13 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 358ba64..1efdea8 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,10 +10,7 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": [
-                "input",
-                "outdir"
-            ],
+            "required": ["input", "outdir"],
             "properties": {
                 "input": {
                     "type": "string",
@@ -176,14 +173,7 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": [
-                        "symlink",
-                        "rellink",
-                        "link",
-                        "copy",
-                        "copyNoFollow",
-                        "move"
-                    ],
+                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -320,4 +310,4 @@
             "default": 15
         }
     }
-}
\ No newline at end of file
+}

From 95ed86516b445b42e1703cd2c7c020c45fabbfb3 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Sat, 2 Apr 2022 13:59:10 +0200
Subject: [PATCH 081/789] chore: add citation

---
 CITATIONS.md | 6 ++++++
 1 file changed, 6 insertions(+)

diff --git a/CITATIONS.md b/CITATIONS.md
index 8f286b0..0b35cce 100644
--- a/CITATIONS.md
+++ b/CITATIONS.md
@@ -34,6 +34,12 @@
 
   > Vågene, Åshild J., Alexander Herbig, Michael G. Campana, Nelly M. Robles García, Christina Warinner, Susanna Sabin, Maria A. Spyrou, et al. 2018. “Salmonella Enterica Genomes from Victims of a Major Sixteenth-Century Epidemic in Mexico.” Nature Ecology & Evolution 2 (3): 520-28. doi: 10.1038/s41559-017-0446-6.
 
+- [Porechop](https://github.com/rrwick/Porechop)
+
+- [MetaPhlAn3](https://doi.org/10.7554/eLife.65088)
+
+  > Beghini, Francesco, Lauren J McIver, Aitor Blanco-Míguez, Leonard Dubois, Francesco Asnicar, Sagun Maharjan, Ana Mailyan, et al. 2021. “Integrating Taxonomic, Functional, and Strain-Level Profiling of Diverse Microbial Communities with BioBakery 3.” Edited by Peter Turnbaugh, Eduardo Franco, and C Titus Brown. ELife 10 (May): e65088.
+
 ## Software packaging/containerisation tools
 
 - [Anaconda](https://anaconda.com)

From b0b5936fe847fd416d4f223f9f1051425fddac73 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Sat, 2 Apr 2022 14:44:27 +0200
Subject: [PATCH 082/789] chore: configure output for metaphlan3

---
 conf/modules.config | 9 +++++++++
 1 file changed, 9 insertions(+)

diff --git a/conf/modules.config b/conf/modules.config
index dc8b138..5dfaa82 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -170,6 +170,15 @@ process {
         ]
     }
 
+    withName: METAPHLAN3 {
+        publishDir = [
+            path: { "${params.outdir}/metaphlan3/${metaphlan_db.simpleName}" },
+            mode: params.publish_dir_mode,
+            pattern: '*.{biom,txt}'
+        ]
+        ext.prefix = { "${meta.id}-${meta.run_accession}-${metaphlan_db.simpleName}" }
+    }
+
     withName: CUSTOM_DUMPSOFTWAREVERSIONS {
         publishDir = [
             path: { "${params.outdir}/pipeline_info" },

From 996b3f49126b68e273dbc94dd46302f0490a8168 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Sat, 2 Apr 2022 14:44:48 +0200
Subject: [PATCH 083/789] fix: correct the input shape to metaphlan3

---
 workflows/taxprofiler.nf | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 99a1685..54ede13 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -168,7 +168,7 @@ workflow TAXPROFILER {
                             .dump(tag: "input_metaphlan3")
                             .multiMap {
                                 it ->
-                                    reads: [it[0] + it[2], it[1][0]]
+                                    reads: [it[0] + it[2], it[1]]
                                     db: it[3]
                             }
 
@@ -217,6 +217,7 @@ workflow TAXPROFILER {
 
     // TODO MALT results overwriting per database?
     // TODO Versions for Karken/MALT not report?
+    // TODO create multiQC module for metaphlan
     MULTIQC (
         ch_multiqc_files.collect()
     )

From 817678d870389a5b88b99bcf4dc7290c71dd416b Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Sat, 2 Apr 2022 14:45:07 +0200
Subject: [PATCH 084/789] chore: add metaphlan3 run to test profile

---
 conf/test.config | 1 +
 1 file changed, 1 insertion(+)

diff --git a/conf/test.config b/conf/test.config
index 92a10e4..b8cd47c 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -26,6 +26,7 @@ params {
     databases           = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
     run_kraken2         = true
     run_malt            = true
+    run_metaphlan3      = true
     shortread_clipmerge = true
 
 }

From 70862570e0334e0af3a039fe790158f57c88b86d Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Sat, 2 Apr 2022 14:58:07 +0200
Subject: [PATCH 085/789] fix: use same naming scheme

---
 conf/modules.config | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 5dfaa82..37b1f2f 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -172,11 +172,11 @@ process {
 
     withName: METAPHLAN3 {
         publishDir = [
-            path: { "${params.outdir}/metaphlan3/${metaphlan_db.simpleName}" },
+            path: { "${params.outdir}/metaphlan3/${meta.db_name}" },
             mode: params.publish_dir_mode,
             pattern: '*.{biom,txt}'
         ]
-        ext.prefix = { "${meta.id}-${meta.run_accession}-${metaphlan_db.simpleName}" }
+        ext.prefix = { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
     }
 
     withName: CUSTOM_DUMPSOFTWAREVERSIONS {

From 562fa426962da46946bf9411ac3b6f68b4ae8d96 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Sat, 2 Apr 2022 15:00:55 +0200
Subject: [PATCH 086/789] fix: remove duplicate porechop entry

---
 CITATIONS.md | 2 --
 1 file changed, 2 deletions(-)

diff --git a/CITATIONS.md b/CITATIONS.md
index 0b35cce..b18f841 100644
--- a/CITATIONS.md
+++ b/CITATIONS.md
@@ -34,8 +34,6 @@
 
   > Vågene, Åshild J., Alexander Herbig, Michael G. Campana, Nelly M. Robles García, Christina Warinner, Susanna Sabin, Maria A. Spyrou, et al. 2018. “Salmonella Enterica Genomes from Victims of a Major Sixteenth-Century Epidemic in Mexico.” Nature Ecology & Evolution 2 (3): 520-28. doi: 10.1038/s41559-017-0446-6.
 
-- [Porechop](https://github.com/rrwick/Porechop)
-
 - [MetaPhlAn3](https://doi.org/10.7554/eLife.65088)
 
   > Beghini, Francesco, Lauren J McIver, Aitor Blanco-Míguez, Leonard Dubois, Francesco Asnicar, Sagun Maharjan, Ana Mailyan, et al. 2021. “Integrating Taxonomic, Functional, and Strain-Level Profiling of Diverse Microbial Communities with BioBakery 3.” Edited by Peter Turnbaugh, Eduardo Franco, and C Titus Brown. ELife 10 (May): e65088.

From 4e22bc961084688ce9a0c6f8d1d564b70b7af912 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Sat, 2 Apr 2022 15:20:36 +0200
Subject: [PATCH 087/789] fix: force UTF-8 in different locale?

---
 nextflow.config | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/nextflow.config b/nextflow.config
index 9f3b103..588c0cf 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -158,7 +158,8 @@ if (!params.igenomes_ignore) {
 // See https://apeltzer.github.io/post/03-julia-lang-nextflow/ for details on that. Once we have a common agreement on where to keep Julia packages, this is adjustable.
 
 env {
-    PYTHONNOUSERSITE = 1
+    PYTHONNOUSERSITE = '1'
+    PYTHONUTF8       = '1'  // MetaPhlAn3 may fail with a UnicodeDecodeError if the locale is not set appropriately.
     R_PROFILE_USER   = "/.Rprofile"
     R_ENVIRON_USER   = "/.Renviron"
     JULIA_DEPOT_PATH = "/usr/local/share/julia"

From 41526e8a64bdbf40cc28a941e1aaa2430aa66a5d Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Sat, 2 Apr 2022 15:44:39 +0200
Subject: [PATCH 088/789] try to fix locale

---
 .github/workflows/ci.yml | 8 ++++++++
 nextflow.config          | 2 +-
 2 files changed, 9 insertions(+), 1 deletion(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index a8078e5..b8975b5 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -46,6 +46,14 @@ jobs:
           wget -qO- get.nextflow.io | bash
           sudo mv nextflow /usr/local/bin/
 
+      - name: Show current locale
+        run: locale
+
+      - name: Set UTF-8 enabled locale
+        run: |
+          sudo locale-gen en_US.UTF-8
+          sudo update-locale LANG=en_US.UTF-8
+
       - name: Run pipeline with test data
         # TODO nf-core: You can customise CI pipeline run tests as required
         # For example: adding multiple test runs with different parameters
diff --git a/nextflow.config b/nextflow.config
index 588c0cf..cd6de9c 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -159,7 +159,7 @@ if (!params.igenomes_ignore) {
 
 env {
     PYTHONNOUSERSITE = '1'
-    PYTHONUTF8       = '1'  // MetaPhlAn3 may fail with a UnicodeDecodeError if the locale is not set appropriately.
+    // PYTHONUTF8       = '1'  // MetaPhlAn3 may fail with a UnicodeDecodeError if the locale is not set appropriately.
     R_PROFILE_USER   = "/.Rprofile"
     R_ENVIRON_USER   = "/.Renviron"
     JULIA_DEPOT_PATH = "/usr/local/share/julia"

From b055df5ea076e2d82071eba9e3e692ce9d43e976 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sat, 2 Apr 2022 17:02:05 +0200
Subject: [PATCH 089/789] Add bbduk complexity (entropy-based) filtering

---
 CITATIONS.md                                  |  2 +
 conf/modules.config                           | 15 ++++--
 modules.json                                  |  3 ++
 modules/nf-core/modules/bbmap/bbduk/main.nf   | 43 +++++++++++++++
 modules/nf-core/modules/bbmap/bbduk/meta.yml  | 52 ++++++++++++++++++
 nextflow.config                               |  7 +++
 nextflow_schema.json                          | 21 +++++++-
 subworkflows/local/longread_preprocessing.nf  |  8 +--
 .../local/shortread_adapterremoval.nf         |  6 +--
 .../local/shortread_complexityfiltering.nf    | 28 ++++++++++
 subworkflows/local/shortread_fastp.nf         | 10 ++--
 subworkflows/local/shortread_preprocessing.nf |  6 +--
 workflows/taxprofiler.nf                      | 54 +++++++++++++------
 13 files changed, 216 insertions(+), 39 deletions(-)
 create mode 100644 modules/nf-core/modules/bbmap/bbduk/main.nf
 create mode 100644 modules/nf-core/modules/bbmap/bbduk/meta.yml
 create mode 100644 subworkflows/local/shortread_complexityfiltering.nf

diff --git a/CITATIONS.md b/CITATIONS.md
index 8f286b0..0eb8141 100644
--- a/CITATIONS.md
+++ b/CITATIONS.md
@@ -26,6 +26,8 @@
 
 - [Porechop](https://github.com/rrwick/Porechop)
 
+- [BBTools](http://sourceforge.net/projects/bbmap/)
+
 - [Kraken2](https://doi.org/10.1186/s13059-019-1891-0)
 
   > Wood, Derrick E., Jennifer Lu, and Ben Langmead. 2019. “Improved Metagenomic Analysis with Kraken 2.” Genome Biology 20 (1): 257. doi: 10.1186/s13059-019-1891-0.
diff --git a/conf/modules.config b/conf/modules.config
index dc8b138..601f915 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -132,7 +132,6 @@ process {
         ]
     }
 
-
     withName: PORECHOP {
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [
@@ -142,11 +141,17 @@ process {
         ]
     }
 
-    withName: CAT_FASTQ {
+    withName: BBMAP_BBDUK {
+        ext.args =  [
+                "entropy=${params.shortread_complexityfilter_bbduk_entropy}",
+                "entropywindow=${params.shortread_complexityfilter_bbduk_windowsize}",
+                params.shortread_complexityfilter_bbduk_mask ?  "entropymask=t" : "entropymask=f"
+            ].join(' ').trim()
+        ext.prefix = { "${meta.id}-${meta.run_accession}" }
         publishDir = [
-            path: { "${params.outdir}/prepared_sequences" },
-            mode: 'copy',
-            pattern: '*.fastq.gz'
+            path: { "${params.outdir}/bbduk/" },
+            mode: params.publish_dir_mode,
+            pattern: '*.{fastq.gz,log}'
         ]
     }
 
diff --git a/modules.json b/modules.json
index dcfbd3f..64e6c3c 100644
--- a/modules.json
+++ b/modules.json
@@ -6,6 +6,9 @@
             "adapterremoval": {
                 "git_sha": "f0800157544a82ae222931764483331a81812012"
             },
+            "bbmap/bbduk": {
+                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
+            },
             "cat/fastq": {
                 "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
             },
diff --git a/modules/nf-core/modules/bbmap/bbduk/main.nf b/modules/nf-core/modules/bbmap/bbduk/main.nf
new file mode 100644
index 0000000..0ae005e
--- /dev/null
+++ b/modules/nf-core/modules/bbmap/bbduk/main.nf
@@ -0,0 +1,43 @@
+process BBMAP_BBDUK {
+    tag "$meta.id"
+    label 'process_medium'
+
+    conda (params.enable_conda ? "bioconda::bbmap=38.90" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/bbmap:38.90--he522d1c_1' :
+        'quay.io/biocontainers/bbmap:38.90--he522d1c_1' }"
+
+    input:
+    tuple val(meta), path(reads)
+    path contaminants
+
+    output:
+    tuple val(meta), path('*.fastq.gz'), emit: reads
+    tuple val(meta), path('*.log')     , emit: log
+    path "versions.yml"                , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    def raw      = meta.single_end ? "in=${reads[0]}" : "in1=${reads[0]} in2=${reads[1]}"
+    def trimmed  = meta.single_end ? "out=${prefix}.fastq.gz" : "out1=${prefix}_1.fastq.gz out2=${prefix}_2.fastq.gz"
+    def contaminants_fa = contaminants ? "ref=$contaminants" : ''
+    """
+    maxmem=\$(echo \"$task.memory\"| sed 's/ GB/g/g')
+    bbduk.sh \\
+        -Xmx\$maxmem \\
+        $raw \\
+        $trimmed \\
+        threads=$task.cpus \\
+        $args \\
+        $contaminants_fa \\
+        &> ${prefix}.bbduk.log
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        bbmap: \$(bbversion.sh)
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/modules/bbmap/bbduk/meta.yml b/modules/nf-core/modules/bbmap/bbduk/meta.yml
new file mode 100644
index 0000000..6abd3d9
--- /dev/null
+++ b/modules/nf-core/modules/bbmap/bbduk/meta.yml
@@ -0,0 +1,52 @@
+name: bbmap_bbduk
+description: Adapter and quality trimming of sequencing reads
+keywords:
+  - trimming
+  - adapter trimming
+  - quality trimming
+tools:
+  - bbmap:
+      description: BBMap is a short read aligner, as well as various other bioinformatic tools.
+      homepage: https://jgi.doe.gov/data-and-tools/bbtools/bb-tools-user-guide/
+      documentation: https://jgi.doe.gov/data-and-tools/bbtools/bb-tools-user-guide/
+      tool_dev_url: None
+      doi: ""
+      licence: ["UC-LBL license (see package)"]
+
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - reads:
+      type: file
+      description: |
+        List of input FastQ files of size 1 and 2 for single-end and paired-end data,
+        respectively.
+  - contaminants:
+      type: file
+      description: |
+        Reference files containing adapter and/or contaminant sequences for sequence kmer matching
+
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - reads:
+      type: file
+      description: The trimmed/modified fastq reads
+      pattern: "*fastq.gz"
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+  - log:
+      type: file
+      description: Bbduk log file
+      pattern: "*bbduk.log"
+
+authors:
+  - "@MGordon09"
diff --git a/nextflow.config b/nextflow.config
index 7be36a6..d57743a 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -65,6 +65,13 @@ params {
     shortread_clipmerge_minlength           = 15
     longread_clip                           = false
 
+    // Complexity filtering
+    shortread_complexityfilter                  = false
+    shortread_complexityfilter_tool             = 'bbduk'
+    shortread_complexityfilter_bbduk_entropy    = 0.3
+    shortread_complexityfilter_bbduk_windowsize = 50
+    shortread_complexityfilter_bbduk_mask       = false
+
     // MALT
     run_malt                   = false
     malt_mode                  = 'BlastN'
diff --git a/nextflow_schema.json b/nextflow_schema.json
index fb2ca31..bd8b438 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -266,8 +266,7 @@
             "type": "boolean"
         },
         "shortread_clipmerge_excludeunmerged": {
-            "type": "boolean",
-            "default": false
+            "type": "boolean"
         },
         "longread_clip": {
             "type": "boolean"
@@ -304,6 +303,24 @@
         "shortread_clipmerge_minlength": {
             "type": "integer",
             "default": 15
+        },
+        "shortread_complexityfilter_tool": {
+            "type": "string",
+            "default": "bbduk"
+        },
+        "shortread_complexityfilter_bbduk_entropy": {
+            "type": "number",
+            "default": 0.3
+        },
+        "shortread_complexityfilter_bbduk_windowsize": {
+            "type": "integer",
+            "default": 50
+        },
+        "shortread_complexityfilter_bbduk_mask": {
+            "type": "boolean"
+        },
+        "shortread_complexityfilter": {
+            "type": "boolean"
         }
     }
 }
diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf
index a1515c7..2fa5f3b 100644
--- a/subworkflows/local/longread_preprocessing.nf
+++ b/subworkflows/local/longread_preprocessing.nf
@@ -1,6 +1,6 @@
-/*
-Process long raw reads with porechop
-*/
+//
+// Process long raw reads with porechop
+//
 
 include { FASTQC as FASTQC_PROCESSED } from '../../modules/nf-core/modules/fastqc/main'
 include { PORECHOP                   } from '../../modules/nf-core/modules/porechop/main'
@@ -25,7 +25,7 @@ workflow LONGREAD_PREPROCESSING {
 
     FASTQC_PROCESSED ( PORECHOP.out.reads )
     ch_versions = ch_versions.mix(PORECHOP.out.versions.first())
-    ch_multiqc_files = ch_multiqc_files.mix( FASTQC_PROCESSED.out.zip.collect{it[1]} )
+    ch_multiqc_files = ch_multiqc_files.mix( FASTQC_PROCESSED.out.zip )
 
 
     emit:
diff --git a/subworkflows/local/shortread_adapterremoval.nf b/subworkflows/local/shortread_adapterremoval.nf
index 5e005db..b173e4c 100644
--- a/subworkflows/local/shortread_adapterremoval.nf
+++ b/subworkflows/local/shortread_adapterremoval.nf
@@ -1,6 +1,6 @@
-/*
-Process short raw reads with AdapterRemoval
-*/
+//
+// Process short raw reads with AdapterRemoval
+//
 
 include { ADAPTERREMOVAL as ADAPTERREMOVAL_SINGLE       } from '../../modules/nf-core/modules/adapterremoval/main'
 include { ADAPTERREMOVAL as ADAPTERREMOVAL_PAIRED       } from '../../modules/nf-core/modules/adapterremoval/main'
diff --git a/subworkflows/local/shortread_complexityfiltering.nf b/subworkflows/local/shortread_complexityfiltering.nf
new file mode 100644
index 0000000..3d69ed6
--- /dev/null
+++ b/subworkflows/local/shortread_complexityfiltering.nf
@@ -0,0 +1,28 @@
+//
+// Check input samplesheet and get read channels
+//
+
+include { BBMAP_BBDUK } from '../../modules/nf-core/modules/bbmap/bbduk/main'
+
+workflow SHORTREAD_COMPLEXITYFILTERING {
+    take:
+    reads // [ [ meta ], [ reads ] ]
+
+    main:
+    ch_versions       = Channel.empty()
+    ch_multiqc_files  = Channel.empty()
+
+    if ( params.shortread_complexityfilter_tool == 'bbduk' ) {
+        ch_filtered_reads = BBMAP_BBDUK ( reads, [] ).reads
+        ch_versions        =  ch_versions.mix( BBMAP_BBDUK.out.versions.first() )
+        ch_multiqc_files   =  ch_multiqc_files.mix( BBMAP_BBDUK.out.log )
+    } else {
+        ch_filtered_reads = reads
+    }
+
+    emit:
+    reads    = ch_filtered_reads    // channel: [ val(meta), [ reads ] ]
+    versions = ch_versions          // channel: [ versions.yml ]
+    mqc      = ch_multiqc_files
+}
+
diff --git a/subworkflows/local/shortread_fastp.nf b/subworkflows/local/shortread_fastp.nf
index 48817db..18baf17 100644
--- a/subworkflows/local/shortread_fastp.nf
+++ b/subworkflows/local/shortread_fastp.nf
@@ -1,6 +1,6 @@
-/*
-Process short raw reads with FastP
-*/
+//
+// Process short raw reads with FastP
+//
 
 include { FASTP as FASTP_SINGLE       } from '../../modules/nf-core/modules/fastp/main'
 include { FASTP as FASTP_PAIRED       } from '../../modules/nf-core/modules/fastp/main'
@@ -44,8 +44,8 @@ workflow SHORTREAD_FASTP {
 
     ch_processed_reads = ch_fastp_reads_prepped
 
-    ch_multiqc_files = ch_multiqc_files.mix( FASTP_SINGLE.out.json.collect{it[1]} )
-    ch_multiqc_files = ch_multiqc_files.mix( FASTP_PAIRED.out.json.collect{it[1]} )
+    ch_multiqc_files = ch_multiqc_files.mix( FASTP_SINGLE.out.json )
+    ch_multiqc_files = ch_multiqc_files.mix( FASTP_PAIRED.out.json )
 
     emit:
     reads    = ch_processed_reads   // channel: [ val(meta), [ reads ] ]
diff --git a/subworkflows/local/shortread_preprocessing.nf b/subworkflows/local/shortread_preprocessing.nf
index 1d0caac..b0ac25e 100644
--- a/subworkflows/local/shortread_preprocessing.nf
+++ b/subworkflows/local/shortread_preprocessing.nf
@@ -1,5 +1,5 @@
 //
-// Check input samplesheet and get read channels
+// Perform read trimming and merging
 //
 
 
@@ -9,7 +9,7 @@ include { FASTQC as FASTQC_PROCESSED       } from '../../modules/nf-core/modules
 
 workflow SHORTREAD_PREPROCESSING {
     take:
-    reads // file: /path/to/samplesheet.csv
+    reads //  [ [ meta ], [ reads ] ]
 
     main:
     ch_versions       = Channel.empty()
@@ -29,7 +29,7 @@ workflow SHORTREAD_PREPROCESSING {
 
     FASTQC_PROCESSED ( ch_processed_reads )
     ch_versions = ch_versions.mix( FASTQC_PROCESSED.out.versions )
-    ch_multiqc_files = ch_multiqc_files.mix( FASTQC_PROCESSED.out.zip.collect{it[1]} )
+    ch_multiqc_files = ch_multiqc_files.mix( FASTQC_PROCESSED.out.zip )
 
     emit:
     reads    = ch_processed_reads   // channel: [ val(meta), [ reads ] ]
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index ce89a91..a403589 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -40,9 +40,10 @@ ch_multiqc_custom_config = params.multiqc_config ? Channel.fromPath(params.multi
 //
 include { INPUT_CHECK             } from '../subworkflows/local/input_check'
 
-include { DB_CHECK                } from '../subworkflows/local/db_check'
-include { SHORTREAD_PREPROCESSING } from '../subworkflows/local/shortread_preprocessing'
-include { LONGREAD_PREPROCESSING  } from '../subworkflows/local/longread_preprocessing'
+include { DB_CHECK                      } from '../subworkflows/local/db_check'
+include { SHORTREAD_PREPROCESSING       } from '../subworkflows/local/shortread_preprocessing'
+include { LONGREAD_PREPROCESSING        } from '../subworkflows/local/longread_preprocessing'
+include { SHORTREAD_COMPLEXITYFILTERING } from '../subworkflows/local/shortread_complexityfiltering'
 
 /*
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
@@ -61,7 +62,6 @@ include { CAT_FASTQ                   } from '../modules/nf-core/modules/cat/fas
 include { MALT_RUN                    } from '../modules/nf-core/modules/malt/run/main'
 include { KRAKEN2_KRAKEN2             } from '../modules/nf-core/modules/kraken2/kraken2/main'
 
-
 /*
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
     RUN MAIN WORKFLOW
@@ -98,10 +98,6 @@ workflow TAXPROFILER {
 
     ch_versions = ch_versions.mix(FASTQC.out.versions.first())
 
-    CUSTOM_DUMPSOFTWAREVERSIONS (
-        ch_versions.unique().collectFile(name: 'collated_versions.yml')
-    )
-
     /*
         SUBWORKFLOW: PERFORM PREPROCESSING
     */
@@ -114,17 +110,26 @@ workflow TAXPROFILER {
     if ( params.longread_clip ) {
         ch_longreads_preprocessed = LONGREAD_PREPROCESSING ( INPUT_CHECK.out.nanopore ).reads
                                         .map { it -> [ it[0], [it[1]] ] }
-    ch_versions = ch_versions.mix(LONGREAD_PREPROCESSING.out.versions.first())
     } else {
         ch_longreads_preprocessed = INPUT_CHECK.out.nanopore
     }
 
+    /*
+        SUBWORKFLOW: COMPLEXITY FILTERING
+    */
+
+    if ( params.shortread_complexityfilter ) {
+        ch_shortreads_filtered = SHORTREAD_COMPLEXITYFILTERING ( ch_shortreads_preprocessed ).reads
+    } else {
+        ch_shortreads_filtered = ch_shortreads_preprocessed
+    }
+
     /*
         COMBINE READS WITH POSSIBLE DATABASES
     */
 
     // e.g. output [DUMP: reads_plus_db] [['id':'2612', 'run_accession':'combined', 'instrument_platform':'ILLUMINA', 'single_end':1], <reads_path>/2612.merged.fastq.gz, ['tool':'malt', 'db_name':'mal95', 'db_params':'"-id 90"'], <db_path>/malt90]
-    ch_input_for_profiling = ch_shortreads_preprocessed
+    ch_input_for_profiling = ch_shortreads_filtered
             .mix( ch_longreads_preprocessed )
             .combine(DB_CHECK.out.dbs)
             .branch {
@@ -177,6 +182,12 @@ workflow TAXPROFILER {
     /*
         MODULE: MultiQC
     */
+
+    CUSTOM_DUMPSOFTWAREVERSIONS (
+        ch_versions.unique().collectFile(name: 'collated_versions.yml')
+    )
+
+
     workflow_summary    = WorkflowTaxprofiler.paramsSummaryMultiqc(workflow, summary_params)
     ch_workflow_summary = Channel.value(workflow_summary)
 
@@ -188,21 +199,30 @@ workflow TAXPROFILER {
     ch_multiqc_files = ch_multiqc_files.mix(FASTQC.out.zip.collect{it[1]}.ifEmpty([]))
 
     if (params.shortread_clipmerge) {
-        ch_multiqc_files = ch_multiqc_files.mix(SHORTREAD_PREPROCESSING.out.mqc)
+        ch_multiqc_files = ch_multiqc_files.mix( SHORTREAD_PREPROCESSING.out.mqc.collect{it[1]}.ifEmpty([]) ).dump(tag: "mqc_shortclipmerge")
+        ch_versions = ch_versions.mix( SHORTREAD_PREPROCESSING.out.versions )
     }
+
     if (params.longread_clip) {
-        ch_multiqc_files = ch_multiqc_files.mix(LONGREAD_PREPROCESSING.out.mqc)
+        ch_multiqc_files = ch_multiqc_files.mix( LONGREAD_PREPROCESSING.out.mqc.collect{it[1]}.ifEmpty([]) ).dump(tag: "mqc_longclipmerge")
+        ch_versions = ch_versions.mix( LONGREAD_PREPROCESSING.out.versions )
+    }
+
+    if (params.shortread_complexityfilter){
+        ch_multiqc_files = ch_multiqc_files.mix( SHORTREAD_COMPLEXITYFILTERING.out.mqc.collect{it[1]}.ifEmpty([]) ).dump(tag: "mqc_compelxity")
+        ch_versions = ch_versions.mix( SHORTREAD_COMPLEXITYFILTERING.out.versions )
     }
+
     if (params.run_kraken2) {
-        ch_multiqc_files = ch_multiqc_files.mix(KRAKEN2_KRAKEN2.out.txt.collect{it[1]}.ifEmpty([]))
-        ch_versions = ch_versions.mix(KRAKEN2_KRAKEN2.out.versions.first())
+        ch_multiqc_files = ch_multiqc_files.mix( KRAKEN2_KRAKEN2.out.txt.collect{it[1]}.ifEmpty([]) ).dump(tag: "mqc_kraken")
+        ch_versions = ch_versions.mix( KRAKEN2_KRAKEN2.out.versions.first() )
     }
+
     if (params.run_malt) {
-        ch_multiqc_files = ch_multiqc_files.mix(MALT_RUN.out.log.collect{it[1]}.ifEmpty([]))
-        ch_versions = ch_versions.mix(MALT_RUN.out.versions.first())
+        ch_multiqc_files = ch_multiqc_files.mix( MALT_RUN.out.log.collect{it[1]}.ifEmpty([]) ).dump(tag: "mqc_malt")
+        ch_versions = ch_versions.mix( MALT_RUN.out.versions.first() )
     }
 
-    // TODO MALT results overwriting per database?
     // TODO Versions for Karken/MALT not report?
     MULTIQC (
         ch_multiqc_files.collect()

From 4eab257d68a36b333bc1c5e087e6a79721b5b87e Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Sat, 2 Apr 2022 17:05:46 +0200
Subject: [PATCH 090/789] style: prettify comment

---
 subworkflows/local/shortread_adapterremoval.nf | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/subworkflows/local/shortread_adapterremoval.nf b/subworkflows/local/shortread_adapterremoval.nf
index 5e005db..3598e3e 100644
--- a/subworkflows/local/shortread_adapterremoval.nf
+++ b/subworkflows/local/shortread_adapterremoval.nf
@@ -24,8 +24,10 @@ workflow SHORTREAD_ADAPTERREMOVAL {
     ADAPTERREMOVAL_SINGLE ( ch_input_for_adapterremoval.single, [] )
     ADAPTERREMOVAL_PAIRED ( ch_input_for_adapterremoval.paired, [] )
 
-    // due to the slightly ugly output implementation of the current AdapterRemoval2 version, each file
-    // has to be exported in a separate channel, and we must manually recombine when necessary
+    /*
+     * Due to the ~slightly~ very ugly output implementation of the current AdapterRemoval2 version, each file
+     * has to be exported in a separate channel and we must manually recombine when necessary.
+     */
 
     if ( params.shortread_clipmerge_mergepairs && !params.shortread_clipmerge_excludeunmerged ) {
         ch_adapterremoval_for_cat = ADAPTERREMOVAL_PAIRED.out.collapsed

From 7f1a7fb4e7be661e3a01ab0ffb0a61fe5de314ae Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sat, 2 Apr 2022 17:05:54 +0200
Subject: [PATCH 091/789] Add complexity filtering to test profile

---
 conf/test.config | 7 ++++---
 1 file changed, 4 insertions(+), 3 deletions(-)

diff --git a/conf/test.config b/conf/test.config
index 92a10e4..bce5918 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -24,8 +24,9 @@ params {
     // TODO nf-core: Give any required params for the test so that command line flags are not needed
     input               = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
     databases           = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
-    run_kraken2         = true
-    run_malt            = true
-    shortread_clipmerge = true
+    run_kraken2                   = true
+    run_malt                      = true
+    shortread_clipmerge           = true
+    shortread_complexityfiltering = true
 
 }

From 469e4f36825d86bf83a341d8c95bb4768f682bfd Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sat, 2 Apr 2022 17:07:30 +0200
Subject: [PATCH 092/789] Remove remaining debugging .dumps(

---
 workflows/taxprofiler.nf | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index a403589..1c86edb 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -90,7 +90,7 @@ workflow TAXPROFILER {
     /*
         MODULE: Run FastQC
     */
-    ch_input_for_fastqc = INPUT_CHECK.out.fastq.mix( INPUT_CHECK.out.nanopore ).dump(tag: "input_to_fastq")
+    ch_input_for_fastqc = INPUT_CHECK.out.fastq.mix( INPUT_CHECK.out.nanopore )
 
     FASTQC (
         ch_input_for_fastqc
@@ -199,27 +199,27 @@ workflow TAXPROFILER {
     ch_multiqc_files = ch_multiqc_files.mix(FASTQC.out.zip.collect{it[1]}.ifEmpty([]))
 
     if (params.shortread_clipmerge) {
-        ch_multiqc_files = ch_multiqc_files.mix( SHORTREAD_PREPROCESSING.out.mqc.collect{it[1]}.ifEmpty([]) ).dump(tag: "mqc_shortclipmerge")
+        ch_multiqc_files = ch_multiqc_files.mix( SHORTREAD_PREPROCESSING.out.mqc.collect{it[1]}.ifEmpty([]) )
         ch_versions = ch_versions.mix( SHORTREAD_PREPROCESSING.out.versions )
     }
 
     if (params.longread_clip) {
-        ch_multiqc_files = ch_multiqc_files.mix( LONGREAD_PREPROCESSING.out.mqc.collect{it[1]}.ifEmpty([]) ).dump(tag: "mqc_longclipmerge")
+        ch_multiqc_files = ch_multiqc_files.mix( LONGREAD_PREPROCESSING.out.mqc.collect{it[1]}.ifEmpty([]) )
         ch_versions = ch_versions.mix( LONGREAD_PREPROCESSING.out.versions )
     }
 
     if (params.shortread_complexityfilter){
-        ch_multiqc_files = ch_multiqc_files.mix( SHORTREAD_COMPLEXITYFILTERING.out.mqc.collect{it[1]}.ifEmpty([]) ).dump(tag: "mqc_compelxity")
+        ch_multiqc_files = ch_multiqc_files.mix( SHORTREAD_COMPLEXITYFILTERING.out.mqc.collect{it[1]}.ifEmpty([]) )
         ch_versions = ch_versions.mix( SHORTREAD_COMPLEXITYFILTERING.out.versions )
     }
 
     if (params.run_kraken2) {
-        ch_multiqc_files = ch_multiqc_files.mix( KRAKEN2_KRAKEN2.out.txt.collect{it[1]}.ifEmpty([]) ).dump(tag: "mqc_kraken")
+        ch_multiqc_files = ch_multiqc_files.mix( KRAKEN2_KRAKEN2.out.txt.collect{it[1]}.ifEmpty([]) )
         ch_versions = ch_versions.mix( KRAKEN2_KRAKEN2.out.versions.first() )
     }
 
     if (params.run_malt) {
-        ch_multiqc_files = ch_multiqc_files.mix( MALT_RUN.out.log.collect{it[1]}.ifEmpty([]) ).dump(tag: "mqc_malt")
+        ch_multiqc_files = ch_multiqc_files.mix( MALT_RUN.out.log.collect{it[1]}.ifEmpty([]) )
         ch_versions = ch_versions.mix( MALT_RUN.out.versions.first() )
     }
 

From 02d950c58c84f4e6c571cdb055154016fc78a22d Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sat, 2 Apr 2022 17:18:20 +0200
Subject: [PATCH 093/789] Fix test so complexity filter actually executes

---
 conf/test.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/conf/test.config b/conf/test.config
index bce5918..3e7530c 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -27,6 +27,6 @@ params {
     run_kraken2                   = true
     run_malt                      = true
     shortread_clipmerge           = true
-    shortread_complexityfiltering = true
+    shortread_complexityfilter    = true
 
 }

From be93eae64057d21c7c5da34162ac2bc51fd86922 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Sat, 2 Apr 2022 21:50:13 +0200
Subject: [PATCH 094/789] fix: insert `.fastq` file extension

The MetaPhlAn3 module computes the input type from the file extension
without the possibility to configure an override. Since AdapterRemoval2
creates files without `.fastq` extensions, MetaPhlAn3 input was determined
to be SAM.
---
 modules/local/ensure_fastq_extension.nf       |  31 +++++
 .../local/shortread_adapterremoval.nf         | 130 ++++++++++++------
 2 files changed, 120 insertions(+), 41 deletions(-)
 create mode 100644 modules/local/ensure_fastq_extension.nf

diff --git a/modules/local/ensure_fastq_extension.nf b/modules/local/ensure_fastq_extension.nf
new file mode 100644
index 0000000..6de223b
--- /dev/null
+++ b/modules/local/ensure_fastq_extension.nf
@@ -0,0 +1,31 @@
+process ENSURE_FASTQ_EXTENSION {
+    tag "$meta.id"
+    label 'process_low'
+
+    conda (params.enable_conda ? "conda-forge::bash=5.0" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://containers.biocontainers.pro/s3/SingImgsRepo/biocontainers/v1.2.0_cv2/biocontainers_v1.2.0_cv2.img' :
+        'biocontainers/biocontainers:v1.2.0_cv2' }"
+
+
+    input:
+    tuple val(meta), path(reads)
+
+    output:
+    tuple val(meta), path('*.fastq.gz'), emit: reads
+
+    script:
+    if (meta.single_end) {
+        fastq = "${reads.baseName}.fastq.gz"
+        """
+        ln -s '${reads}' '${fastq}'
+        """
+    } else {
+        first = "${reads[0].baseName}.fastq.gz"
+        second = "${reads[1].baseName}.fastq.gz"
+        """
+        ln -s '${reads[0]}' '${first}'
+        ln -s '${reads[1]}' '${second}'
+        """
+    }
+}
diff --git a/subworkflows/local/shortread_adapterremoval.nf b/subworkflows/local/shortread_adapterremoval.nf
index 3598e3e..661062d 100644
--- a/subworkflows/local/shortread_adapterremoval.nf
+++ b/subworkflows/local/shortread_adapterremoval.nf
@@ -5,6 +5,11 @@ Process short raw reads with AdapterRemoval
 include { ADAPTERREMOVAL as ADAPTERREMOVAL_SINGLE       } from '../../modules/nf-core/modules/adapterremoval/main'
 include { ADAPTERREMOVAL as ADAPTERREMOVAL_PAIRED       } from '../../modules/nf-core/modules/adapterremoval/main'
 include { CAT_FASTQ                                     } from '../../modules/nf-core/modules/cat/fastq/main'
+include {
+    ENSURE_FASTQ_EXTENSION as ENSURE_FASTQ_EXTENSION1;
+    ENSURE_FASTQ_EXTENSION as ENSURE_FASTQ_EXTENSION2;
+    ENSURE_FASTQ_EXTENSION as ENSURE_FASTQ_EXTENSION3;
+} from '../../modules/local/ensure_fastq_extension'
 
 workflow SHORTREAD_ADAPTERREMOVAL {
 
@@ -30,59 +35,102 @@ workflow SHORTREAD_ADAPTERREMOVAL {
      */
 
     if ( params.shortread_clipmerge_mergepairs && !params.shortread_clipmerge_excludeunmerged ) {
-        ch_adapterremoval_for_cat = ADAPTERREMOVAL_PAIRED.out.collapsed
-                                                .mix(
-                                                    ADAPTERREMOVAL_PAIRED.out.collapsed_truncated,
-                                                    ADAPTERREMOVAL_PAIRED.out.singles_truncated,
-                                                    ADAPTERREMOVAL_PAIRED.out.pair1_truncated,
-                                                    ADAPTERREMOVAL_PAIRED.out.pair2_truncated
-                                                    )
-                                                .map {
-                                                    meta, reads ->
-                                                        def meta_new = meta.clone()
-                                                        meta_new.single_end = true
-
-                                                        [ meta_new, reads ]
-                                                    }
-                                                    .groupTuple()
-
-        ch_adapterremoval_reads_prepped = CAT_FASTQ ( ch_adapterremoval_for_cat ).reads
-                                            .mix( ADAPTERREMOVAL_SINGLE.out.singles_truncated )
+
+        ENSURE_FASTQ_EXTENSION1(
+            Channel.empty().mix(
+                ADAPTERREMOVAL_PAIRED.out.collapsed,
+                ADAPTERREMOVAL_PAIRED.out.collapsed_truncated,
+                ADAPTERREMOVAL_PAIRED.out.singles_truncated,
+                ADAPTERREMOVAL_PAIRED.out.pair1_truncated,
+                ADAPTERREMOVAL_PAIRED.out.pair2_truncated
+            )
+            .map { meta, reads ->
+                meta.single_end = true
+                [meta, reads]
+            }
+        )
+
+        CAT_FASTQ(
+            ENSURE_FASTQ_EXTENSION1.out.reads
+                .groupTuple()
+        )
+
+        ENSURE_FASTQ_EXTENSION2(ADAPTERREMOVAL_SINGLE.out.singles_truncated)
+
+        ch_adapterremoval_reads_prepped = CAT_FASTQ.out.reads
+            .mix(ENSURE_FASTQ_EXTENSION2.out.reads)
 
     } else if ( params.shortread_clipmerge_mergepairs && params.shortread_clipmerge_excludeunmerged ) {
-        ch_adapterremoval_for_cat = ADAPTERREMOVAL_PAIRED.out.collapsed
-                                                .mix( ADAPTERREMOVAL_PAIRED.out.collapsed_truncated )
-                                                .map {
-                                                    meta, reads ->
-                                                        def meta_new = meta.clone()
-                                                        meta_new['single_end'] = true
 
-                                                        [ meta_new, reads ]
-                                                    }
-                                                    .groupTuple(by: 0)
+        ENSURE_FASTQ_EXTENSION1(
+            Channel.empty().mix(
+                ADAPTERREMOVAL_PAIRED.out.collapsed,
+                ADAPTERREMOVAL_PAIRED.out.collapsed_truncated
+            )
+            .map { meta, reads ->
+                meta.single_end = true
+                [meta, reads]
+            }
+        )
+
+        CAT_FASTQ(
+            ENSURE_FASTQ_EXTENSION1.out.reads
+                .groupTuple()
+        )
 
-        ch_adapterremoval_reads_prepped = CAT_FASTQ ( ch_adapterremoval_for_cat ).reads
-                                            .mix( ADAPTERREMOVAL_SINGLE.out.singles_truncated )
+        ENSURE_FASTQ_EXTENSION2(ADAPTERREMOVAL_SINGLE.out.singles_truncated)
+
+        ch_adapterremoval_reads_prepped = CAT_FASTQ.out.reads
+            .mix(ENSURE_FASTQ_EXTENSION2.out.reads)
 
     } else {
 
-        ch_adapterremoval_reads_prepped = ADAPTERREMOVAL_PAIRED.out.pair1_truncated
-                                                .join( ADAPTERREMOVAL_PAIRED.out.pair2_truncated )
-                                                .groupTuple()
-                                                .map { meta, pair1, pair2 ->
-                                                        [ meta, [ pair1, pair2 ].flatten() ]
-                                                }
-                                            .mix( ADAPTERREMOVAL_SINGLE.out.singles_truncated )
-    }
+        ENSURE_FASTQ_EXTENSION1(
+            ADAPTERREMOVAL_PAIRED.out.pair1_truncated
+            .map { meta, reads ->
+                meta.single_end = true
+                [meta, reads]
+            }
+        )
+
+        ENSURE_FASTQ_EXTENSION2(
+            ADAPTERREMOVAL_PAIRED.out.pair2_truncated
+            .map { meta, reads ->
+                meta.single_end = true
+                [meta, reads]
+            }
+        )
+
+        ENSURE_FASTQ_EXTENSION3(ADAPTERREMOVAL_SINGLE.out.singles_truncated)
+
+        ch_adapterremoval_reads_prepped = ENSURE_FASTQ_EXTENSION1.out.reads
+            .join(ENSURE_FASTQ_EXTENSION2.out.reads)
+            .groupTuple()
+            .map { meta, pair1, pair2 ->
+                meta.single_end = false
+                [ meta, [ pair1, pair2 ].flatten() ]
+            }
+            .mix(ENSURE_FASTQ_EXTENSION3.out.reads)
 
-    ch_processed_reads = ch_adapterremoval_reads_prepped
+    }
 
     ch_versions = ch_versions.mix( ADAPTERREMOVAL_SINGLE.out.versions.first() )
     ch_versions = ch_versions.mix( ADAPTERREMOVAL_PAIRED.out.versions.first() )
-    ch_multiqc_files = ch_multiqc_files.mix( ADAPTERREMOVAL_PAIRED.out.log.collect{it[1]}, ADAPTERREMOVAL_SINGLE.out.log.collect{it[1]} )
+    ch_multiqc_files = ch_multiqc_files.mix(
+        ADAPTERREMOVAL_PAIRED.out.log.collect{it[1]},
+        ADAPTERREMOVAL_SINGLE.out.log.collect{it[1]}
+    )
 
     emit:
-    reads    = ch_processed_reads   // channel: [ val(meta), [ reads ] ]
-    versions = ch_versions          // channel: [ versions.yml ]
+    reads    = ch_adapterremoval_reads_prepped  // channel: [ val(meta), [ reads ] ]
+    versions = ch_versions  // channel: [ versions.yml ]
     mqc      = ch_multiqc_files
 }
+
+def ensureFastQExtension(row) {
+    def (meta, read) = row
+    def filename = file(read.parent).resolve("${read.baseName}.fastq.gz")
+
+    read.renameTo(filename.toString())
+    return [meta, read]
+}

From f5baf910be4a7a6207c6070fef407873201d3ce4 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Sun, 3 Apr 2022 00:21:09 +0200
Subject: [PATCH 095/789] Apply suggestions from code review

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 nextflow.config                                | 1 -
 subworkflows/local/shortread_adapterremoval.nf | 7 -------
 2 files changed, 8 deletions(-)

diff --git a/nextflow.config b/nextflow.config
index cd6de9c..bc66734 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -159,7 +159,6 @@ if (!params.igenomes_ignore) {
 
 env {
     PYTHONNOUSERSITE = '1'
-    // PYTHONUTF8       = '1'  // MetaPhlAn3 may fail with a UnicodeDecodeError if the locale is not set appropriately.
     R_PROFILE_USER   = "/.Rprofile"
     R_ENVIRON_USER   = "/.Renviron"
     JULIA_DEPOT_PATH = "/usr/local/share/julia"
diff --git a/subworkflows/local/shortread_adapterremoval.nf b/subworkflows/local/shortread_adapterremoval.nf
index 661062d..e522a1a 100644
--- a/subworkflows/local/shortread_adapterremoval.nf
+++ b/subworkflows/local/shortread_adapterremoval.nf
@@ -127,10 +127,3 @@ workflow SHORTREAD_ADAPTERREMOVAL {
     mqc      = ch_multiqc_files
 }
 
-def ensureFastQExtension(row) {
-    def (meta, read) = row
-    def filename = file(read.parent).resolve("${read.baseName}.fastq.gz")
-
-    read.renameTo(filename.toString())
-    return [meta, read]
-}

From d3572e18787eee40ed4e856bd6caf2f573246094 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sun, 3 Apr 2022 07:28:01 +0200
Subject: [PATCH 096/789] Final MQC fix for AR2 (remove too-early collect)

---
 subworkflows/local/shortread_adapterremoval.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/shortread_adapterremoval.nf b/subworkflows/local/shortread_adapterremoval.nf
index b173e4c..bbb108e 100644
--- a/subworkflows/local/shortread_adapterremoval.nf
+++ b/subworkflows/local/shortread_adapterremoval.nf
@@ -77,7 +77,7 @@ workflow SHORTREAD_ADAPTERREMOVAL {
 
     ch_versions = ch_versions.mix( ADAPTERREMOVAL_SINGLE.out.versions.first() )
     ch_versions = ch_versions.mix( ADAPTERREMOVAL_PAIRED.out.versions.first() )
-    ch_multiqc_files = ch_multiqc_files.mix( ADAPTERREMOVAL_PAIRED.out.log.collect{it[1]}, ADAPTERREMOVAL_SINGLE.out.log.collect{it[1]} )
+    ch_multiqc_files = ch_multiqc_files.mix( ADAPTERREMOVAL_PAIRED.out.log, ADAPTERREMOVAL_SINGLE.out.log )
 
     emit:
     reads    = ch_processed_reads   // channel: [ val(meta), [ reads ] ]

From 482112bb42ddd314de8e92b6a3c1a94e530828f7 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sun, 3 Apr 2022 07:58:40 +0200
Subject: [PATCH 097/789] Start work on host removal

---
 modules.json                                  | 11 ++-
 modules/nf-core/modules/bowtie2/align/main.nf | 77 +++++++++++++++++++
 .../nf-core/modules/bowtie2/align/meta.yml    | 51 ++++++++++++
 modules/nf-core/modules/bowtie2/build/main.nf | 30 ++++++++
 .../nf-core/modules/bowtie2/build/meta.yml    | 33 ++++++++
 .../nf-core/modules/samtools/flagstat/main.nf | 34 ++++++++
 .../modules/samtools/flagstat/meta.yml        | 49 ++++++++++++
 nextflow.config                               |  4 +
 subworkflows/local/shortread_hostremoval.nf   | 39 ++++++++++
 workflows/taxprofiler.nf                      | 12 ++-
 10 files changed, 336 insertions(+), 4 deletions(-)
 create mode 100644 modules/nf-core/modules/bowtie2/align/main.nf
 create mode 100644 modules/nf-core/modules/bowtie2/align/meta.yml
 create mode 100644 modules/nf-core/modules/bowtie2/build/main.nf
 create mode 100644 modules/nf-core/modules/bowtie2/build/meta.yml
 create mode 100644 modules/nf-core/modules/samtools/flagstat/main.nf
 create mode 100644 modules/nf-core/modules/samtools/flagstat/meta.yml
 create mode 100644 subworkflows/local/shortread_hostremoval.nf

diff --git a/modules.json b/modules.json
index dcfbd3f..7c3facc 100644
--- a/modules.json
+++ b/modules.json
@@ -6,6 +6,12 @@
             "adapterremoval": {
                 "git_sha": "f0800157544a82ae222931764483331a81812012"
             },
+            "bowtie2/align": {
+                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
+            },
+            "bowtie2/build": {
+                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
+            },
             "cat/fastq": {
                 "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
             },
@@ -30,9 +36,12 @@
             "porechop": {
                 "git_sha": "e20e57f90b6787ac9a010a980cf6ea98bd990046"
             },
+            "samtools/flagstat": {
+                "git_sha": "1ad73f1b2abdea9398680d6d20014838135c9a35"
+            },
             "untar": {
                 "git_sha": "e080f4c8acf5760039ed12ec1f206170f3f9a918"
             }
         }
     }
-}
+}
\ No newline at end of file
diff --git a/modules/nf-core/modules/bowtie2/align/main.nf b/modules/nf-core/modules/bowtie2/align/main.nf
new file mode 100644
index 0000000..7e8a965
--- /dev/null
+++ b/modules/nf-core/modules/bowtie2/align/main.nf
@@ -0,0 +1,77 @@
+process BOWTIE2_ALIGN {
+    tag "$meta.id"
+    label 'process_high'
+
+    conda (params.enable_conda ? 'bioconda::bowtie2=2.4.4 bioconda::samtools=1.14 conda-forge::pigz=2.6' : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/mulled-v2-ac74a7f02cebcfcc07d8e8d1d750af9c83b4d45a:4d235f41348a00533f18e47c9669f1ecb327f629-0' :
+        'quay.io/biocontainers/mulled-v2-ac74a7f02cebcfcc07d8e8d1d750af9c83b4d45a:4d235f41348a00533f18e47c9669f1ecb327f629-0' }"
+
+    input:
+    tuple val(meta), path(reads)
+    path  index
+    val   save_unaligned
+
+    output:
+    tuple val(meta), path('*.bam')    , emit: bam
+    tuple val(meta), path('*.log')    , emit: log
+    tuple val(meta), path('*fastq.gz'), emit: fastq, optional:true
+    path  "versions.yml"              , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def args2 = task.ext.args2 ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    if (meta.single_end) {
+        def unaligned = save_unaligned ? "--un-gz ${prefix}.unmapped.fastq.gz" : ''
+        """
+        INDEX=`find -L ./ -name "*.rev.1.bt2" | sed 's/.rev.1.bt2//'`
+        bowtie2 \\
+            -x \$INDEX \\
+            -U $reads \\
+            --threads $task.cpus \\
+            $unaligned \\
+            $args \\
+            2> ${prefix}.bowtie2.log \\
+            | samtools view -@ $task.cpus $args2 -bhS -o ${prefix}.bam -
+
+        cat <<-END_VERSIONS > versions.yml
+        "${task.process}":
+            bowtie2: \$(echo \$(bowtie2 --version 2>&1) | sed 's/^.*bowtie2-align-s version //; s/ .*\$//')
+            samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//')
+            pigz: \$( pigz --version 2>&1 | sed 's/pigz //g' )
+        END_VERSIONS
+        """
+    } else {
+        def unaligned = save_unaligned ? "--un-conc-gz ${prefix}.unmapped.fastq.gz" : ''
+        """
+        INDEX=`find -L ./ -name "*.rev.1.bt2" | sed 's/.rev.1.bt2//'`
+        bowtie2 \\
+            -x \$INDEX \\
+            -1 ${reads[0]} \\
+            -2 ${reads[1]} \\
+            --threads $task.cpus \\
+            $unaligned \\
+            $args \\
+            2> ${prefix}.bowtie2.log \\
+            | samtools view -@ $task.cpus $args2 -bhS -o ${prefix}.bam -
+
+        if [ -f ${prefix}.unmapped.fastq.1.gz ]; then
+            mv ${prefix}.unmapped.fastq.1.gz ${prefix}.unmapped_1.fastq.gz
+        fi
+        if [ -f ${prefix}.unmapped.fastq.2.gz ]; then
+            mv ${prefix}.unmapped.fastq.2.gz ${prefix}.unmapped_2.fastq.gz
+        fi
+
+        cat <<-END_VERSIONS > versions.yml
+        "${task.process}":
+            bowtie2: \$(echo \$(bowtie2 --version 2>&1) | sed 's/^.*bowtie2-align-s version //; s/ .*\$//')
+            samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//')
+            pigz: \$( pigz --version 2>&1 | sed 's/pigz //g' )
+        END_VERSIONS
+        """
+    }
+}
diff --git a/modules/nf-core/modules/bowtie2/align/meta.yml b/modules/nf-core/modules/bowtie2/align/meta.yml
new file mode 100644
index 0000000..f80421e
--- /dev/null
+++ b/modules/nf-core/modules/bowtie2/align/meta.yml
@@ -0,0 +1,51 @@
+name: bowtie2_align
+description: Align reads to a reference genome using bowtie2
+keywords:
+  - align
+  - fasta
+  - genome
+  - reference
+tools:
+  - bowtie2:
+      description: |
+        Bowtie 2 is an ultrafast and memory-efficient tool for aligning
+        sequencing reads to long reference sequences.
+      homepage: http://bowtie-bio.sourceforge.net/bowtie2/index.shtml
+      documentation: http://bowtie-bio.sourceforge.net/bowtie2/manual.shtml
+      doi: 10.1038/nmeth.1923
+      licence: ["GPL-3.0-or-later"]
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - reads:
+      type: file
+      description: |
+        List of input FastQ files of size 1 and 2 for single-end and paired-end data,
+        respectively.
+  - index:
+      type: file
+      description: Bowtie2 genome index files
+      pattern: "*.ebwt"
+output:
+  - bam:
+      type: file
+      description: Output BAM file containing read alignments
+      pattern: "*.{bam}"
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+  - fastq:
+      type: file
+      description: Unaligned FastQ files
+      pattern: "*.fastq.gz"
+  - log:
+      type: file
+      description: Aligment log
+      pattern: "*.log"
+authors:
+  - "@joseespinosa"
+  - "@drpatelh"
diff --git a/modules/nf-core/modules/bowtie2/build/main.nf b/modules/nf-core/modules/bowtie2/build/main.nf
new file mode 100644
index 0000000..a4da62d
--- /dev/null
+++ b/modules/nf-core/modules/bowtie2/build/main.nf
@@ -0,0 +1,30 @@
+process BOWTIE2_BUILD {
+    tag "$fasta"
+    label 'process_high'
+
+    conda (params.enable_conda ? 'bioconda::bowtie2=2.4.4' : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/bowtie2:2.4.4--py39hbb4e92a_0' :
+        'quay.io/biocontainers/bowtie2:2.4.4--py39hbb4e92a_0' }"
+
+    input:
+    path fasta
+
+    output:
+    path 'bowtie2'      , emit: index
+    path "versions.yml" , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    """
+    mkdir bowtie2
+    bowtie2-build $args --threads $task.cpus $fasta bowtie2/${fasta.baseName}
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        bowtie2: \$(echo \$(bowtie2 --version 2>&1) | sed 's/^.*bowtie2-align-s version //; s/ .*\$//')
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/modules/bowtie2/build/meta.yml b/modules/nf-core/modules/bowtie2/build/meta.yml
new file mode 100644
index 0000000..2da9a21
--- /dev/null
+++ b/modules/nf-core/modules/bowtie2/build/meta.yml
@@ -0,0 +1,33 @@
+name: bowtie2_build
+description: Builds bowtie index for reference genome
+keywords:
+  - build
+  - index
+  - fasta
+  - genome
+  - reference
+tools:
+  - bowtie2:
+      description: |
+        Bowtie 2 is an ultrafast and memory-efficient tool for aligning
+        sequencing reads to long reference sequences.
+      homepage: http://bowtie-bio.sourceforge.net/bowtie2/index.shtml
+      documentation: http://bowtie-bio.sourceforge.net/bowtie2/manual.shtml
+      doi: 10.1038/nmeth.1923
+      licence: ["GPL-3.0-or-later"]
+input:
+  - fasta:
+      type: file
+      description: Input genome fasta file
+output:
+  - index:
+      type: file
+      description: Bowtie2 genome index files
+      pattern: "*.bt2"
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+authors:
+  - "@joseespinosa"
+  - "@drpatelh"
diff --git a/modules/nf-core/modules/samtools/flagstat/main.nf b/modules/nf-core/modules/samtools/flagstat/main.nf
new file mode 100644
index 0000000..9e3440a
--- /dev/null
+++ b/modules/nf-core/modules/samtools/flagstat/main.nf
@@ -0,0 +1,34 @@
+process SAMTOOLS_FLAGSTAT {
+    tag "$meta.id"
+    label 'process_low'
+
+    conda (params.enable_conda ? "bioconda::samtools=1.15" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/samtools:1.15--h1170115_1' :
+        'quay.io/biocontainers/samtools:1.15--h1170115_1' }"
+
+    input:
+    tuple val(meta), path(bam), path(bai)
+
+    output:
+    tuple val(meta), path("*.flagstat"), emit: flagstat
+    path  "versions.yml"               , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    """
+    samtools \\
+        flagstat \\
+        --threads ${task.cpus-1} \\
+        $bam \\
+        > ${bam}.flagstat
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//')
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/modules/samtools/flagstat/meta.yml b/modules/nf-core/modules/samtools/flagstat/meta.yml
new file mode 100644
index 0000000..9526906
--- /dev/null
+++ b/modules/nf-core/modules/samtools/flagstat/meta.yml
@@ -0,0 +1,49 @@
+name: samtools_flagstat
+description: Counts the number of alignments in a BAM/CRAM/SAM file for each FLAG type
+keywords:
+  - stats
+  - mapping
+  - counts
+  - bam
+  - sam
+  - cram
+tools:
+  - samtools:
+      description: |
+        SAMtools is a set of utilities for interacting with and post-processing
+        short DNA sequence read alignments in the SAM, BAM and CRAM formats, written by Heng Li.
+        These files are generated as output by short read aligners like BWA.
+      homepage: http://www.htslib.org/
+      documentation: hhttp://www.htslib.org/doc/samtools.html
+      doi: 10.1093/bioinformatics/btp352
+      licence: ["MIT"]
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - bam:
+      type: file
+      description: BAM/CRAM/SAM file
+      pattern: "*.{bam,cram,sam}"
+  - bai:
+      type: file
+      description: Index for BAM/CRAM/SAM file
+      pattern: "*.{bai,crai,sai}"
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - flagstat:
+      type: file
+      description: File containing samtools flagstat output
+      pattern: "*.{flagstat}"
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+authors:
+  - "@drpatelh"
diff --git a/nextflow.config b/nextflow.config
index 7be36a6..8aa8722 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -65,6 +65,10 @@ params {
     shortread_clipmerge_minlength           = 15
     longread_clip                           = false
 
+    // Host Removal
+    shortread_hostremoval_reference = null
+    shortread_hostremoval_index     = null
+
     // MALT
     run_malt                   = false
     malt_mode                  = 'BlastN'
diff --git a/subworkflows/local/shortread_hostremoval.nf b/subworkflows/local/shortread_hostremoval.nf
new file mode 100644
index 0000000..4b0861c
--- /dev/null
+++ b/subworkflows/local/shortread_hostremoval.nf
@@ -0,0 +1,39 @@
+//
+// Remove host reads via alignment and export off-target reads
+//
+
+include { BOWTIE2_ALIGN             } from '../../../modules/nf-core/modules/bowtie2/align/main'
+include { BOWTIE2_BUILD             } from '../../../modules/nf-core/modules/bowtie2/build/main'
+include { SAMTOOLS_VIEW             } from '../../../modules/nf-core/modules/samtools/view/main'
+include { SAMTOOLS_FASTQ            } from '../../../modules/nf-core/modules/samtools/fastq/main'
+include { SAMTOOLS_FLAGSTAT         } from '../../../modules/nf-core/modules/samtools/flagstat/main'
+
+workflow SHORTREAD_PREPROCESSING {
+    take:
+    reads     // [ [ meta ], [ reads ] ]
+    reference // /path/to/fasta
+
+    main:
+    ch_versions       = Channel.empty()
+    ch_multiqc_files  = Channel.empty()
+
+    if ( !params.shortread_hostremoval_index ) {
+        file( , checkIfExists: true )
+        BOWTIE2_BUILD ( reference )
+        ch_versions = ch_versions.mix( BOWTIE2_BUILD.out.versions )
+    }
+
+    BOWTIE2_ALIGN ( reads, BOWTIE2_BUILD.out.index )
+    ch_versions = ch_versions.mix( BOWTIE2_BUILD.out.versions )
+    ch_multiqc_files = ch_multiqc_files.mix( SAMTOOLS_FLAGSTAT.out.log )
+
+    SAMTOOLS_FLAGSTAT ( BOWTIE2_ALIGN.out.bam )
+    ch_versions = ch_versions.mix( SAMTOOLS_FLAGSTAT.out.versions )
+    ch_multiqc_files = ch_multiqc_files.mix( SAMTOOLS_FLAGSTAT.out.flagstat )
+
+    emit:
+    reads    = BOWTIE2_ALIGN.out.fastq   // channel: [ val(meta), [ reads ] ]
+    versions = ch_versions          // channel: [ versions.yml ]
+    mqc      = ch_multiqc_files
+}
+
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index ce89a91..c5678f1 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -11,15 +11,21 @@ WorkflowTaxprofiler.initialise(params, log)
 
 // TODO nf-core: Add all file path parameters for the pipeline to the list below
 // Check input path parameters to see if they exist
-def checkPathParamList = [ params.input, params.databases, params.multiqc_config ]
+def checkPathParamList = [ params.input, params.databases, params.shortread_hostremoval_reference,
+                            params.shortread_hostremoval_index, params.multiqc_config
+                        ]
 for (param in checkPathParamList) { if (param) { file(param, checkIfExists: true) } }
 
 // Check mandatory parameters
-if (params.input    ) { ch_input     = file(params.input)     } else { exit 1, 'Input samplesheet not specified!' }
-if (params.databases) { ch_databases = file(params.databases) } else { exit 1, 'Input database sheet not specified!' }
+if (params.input                      ) { ch_input     = file(params.input)     } else { exit 1, 'Input samplesheet not specified!' }
+if (params.databases                  ) { ch_databases = file(params.databases) } else { exit 1, 'Input database sheet not specified!' }
 if (params.shortread_clipmerge_mergepairs && params.run_malt ) log.warn "[nf-core/taxprofiler] warning: MALT does not except uncollapsed paired-reads. Pairs will be profiled as separate files."
 if (params.shortread_clipmerge_excludeunmerged && !params.shortread_clipmerge_mergepairs) exit 1, "[nf-core/taxprofiler] error: cannot include unmerged reads when merging not turned on. Please specify --shortread_clipmerge_mergepairs"
 
+// TODO Add check if index but no reference exit 1
+if (params.shortread_hostremoval_reference   ) { ch_reference       = file(params.shortread_hostremoval_reference) } else {    }
+if (params.shortread_hostremoval_index)        { ch_reference_index = file(params.shortread_hostremoval_index    ) } else { ch_reference_index = [] }
+
 /*
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
     CONFIG FILES

From 066ceb2bcaeb21c0a2a07fd1a5359e30277869ce Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sun, 3 Apr 2022 17:23:14 +0200
Subject: [PATCH 098/789] Remove flagstat as bowtie2 reports this itself

---
 conf/modules.config                           | 19 ++++++-
 conf/test.config                              | 12 +++--
 modules.json                                  |  3 --
 .../nf-core/modules/samtools/flagstat/main.nf | 34 -------------
 .../modules/samtools/flagstat/meta.yml        | 49 -------------------
 nextflow.config                               |  1 +
 nextflow_schema.json                          | 14 +++++-
 subworkflows/local/shortread_hostremoval.nf   | 29 +++++------
 workflows/taxprofiler.nf                      | 27 ++++++++--
 9 files changed, 72 insertions(+), 116 deletions(-)
 delete mode 100644 modules/nf-core/modules/samtools/flagstat/main.nf
 delete mode 100644 modules/nf-core/modules/samtools/flagstat/meta.yml

diff --git a/conf/modules.config b/conf/modules.config
index dc8b138..41faa62 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -132,7 +132,6 @@ process {
         ]
     }
 
-
     withName: PORECHOP {
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [
@@ -142,6 +141,24 @@ process {
         ]
     }
 
+    withName: BOWTIE2_BUILD {
+        ext.prefix = { "${meta.id}_${meta.run_accession}" }
+        publishDir = [
+            path: { "${params.outdir}/bowtie2/build" },
+            mode: 'copy',
+            pattern: '*.bt2'
+        ]
+    }
+
+    withName: BOWTIE2_ALIGN {
+        ext.prefix = { "${meta.id}_${meta.run_accession}" }
+        publishDir = [
+            path: { "${params.outdir}/bowtie2/align" },
+            mode: 'copy',
+            pattern: '*.{fastq.gz,bam}'
+        ]
+    }
+
     withName: CAT_FASTQ {
         publishDir = [
             path: { "${params.outdir}/prepared_sequences" },
diff --git a/conf/test.config b/conf/test.config
index 92a10e4..90ea241 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -22,10 +22,12 @@ params {
     // Input data
     // TODO nf-core: Specify the paths to your test data on nf-core/test-datasets
     // TODO nf-core: Give any required params for the test so that command line flags are not needed
-    input               = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
-    databases           = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
-    run_kraken2         = true
-    run_malt            = true
-    shortread_clipmerge = true
+    input                           = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
+    databases                       = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
+    run_kraken2                     = true
+    run_malt                        = true
+    shortread_clipmerge             = true
+    shortread_hostremoval           = true
+    shortread_hostremoval_reference = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/homo_sapiens/genome/genome.fasta'
 
 }
diff --git a/modules.json b/modules.json
index 7c3facc..7395d68 100644
--- a/modules.json
+++ b/modules.json
@@ -36,9 +36,6 @@
             "porechop": {
                 "git_sha": "e20e57f90b6787ac9a010a980cf6ea98bd990046"
             },
-            "samtools/flagstat": {
-                "git_sha": "1ad73f1b2abdea9398680d6d20014838135c9a35"
-            },
             "untar": {
                 "git_sha": "e080f4c8acf5760039ed12ec1f206170f3f9a918"
             }
diff --git a/modules/nf-core/modules/samtools/flagstat/main.nf b/modules/nf-core/modules/samtools/flagstat/main.nf
deleted file mode 100644
index 9e3440a..0000000
--- a/modules/nf-core/modules/samtools/flagstat/main.nf
+++ /dev/null
@@ -1,34 +0,0 @@
-process SAMTOOLS_FLAGSTAT {
-    tag "$meta.id"
-    label 'process_low'
-
-    conda (params.enable_conda ? "bioconda::samtools=1.15" : null)
-    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/samtools:1.15--h1170115_1' :
-        'quay.io/biocontainers/samtools:1.15--h1170115_1' }"
-
-    input:
-    tuple val(meta), path(bam), path(bai)
-
-    output:
-    tuple val(meta), path("*.flagstat"), emit: flagstat
-    path  "versions.yml"               , emit: versions
-
-    when:
-    task.ext.when == null || task.ext.when
-
-    script:
-    def args = task.ext.args ?: ''
-    """
-    samtools \\
-        flagstat \\
-        --threads ${task.cpus-1} \\
-        $bam \\
-        > ${bam}.flagstat
-
-    cat <<-END_VERSIONS > versions.yml
-    "${task.process}":
-        samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//')
-    END_VERSIONS
-    """
-}
diff --git a/modules/nf-core/modules/samtools/flagstat/meta.yml b/modules/nf-core/modules/samtools/flagstat/meta.yml
deleted file mode 100644
index 9526906..0000000
--- a/modules/nf-core/modules/samtools/flagstat/meta.yml
+++ /dev/null
@@ -1,49 +0,0 @@
-name: samtools_flagstat
-description: Counts the number of alignments in a BAM/CRAM/SAM file for each FLAG type
-keywords:
-  - stats
-  - mapping
-  - counts
-  - bam
-  - sam
-  - cram
-tools:
-  - samtools:
-      description: |
-        SAMtools is a set of utilities for interacting with and post-processing
-        short DNA sequence read alignments in the SAM, BAM and CRAM formats, written by Heng Li.
-        These files are generated as output by short read aligners like BWA.
-      homepage: http://www.htslib.org/
-      documentation: hhttp://www.htslib.org/doc/samtools.html
-      doi: 10.1093/bioinformatics/btp352
-      licence: ["MIT"]
-input:
-  - meta:
-      type: map
-      description: |
-        Groovy Map containing sample information
-        e.g. [ id:'test', single_end:false ]
-  - bam:
-      type: file
-      description: BAM/CRAM/SAM file
-      pattern: "*.{bam,cram,sam}"
-  - bai:
-      type: file
-      description: Index for BAM/CRAM/SAM file
-      pattern: "*.{bai,crai,sai}"
-output:
-  - meta:
-      type: map
-      description: |
-        Groovy Map containing sample information
-        e.g. [ id:'test', single_end:false ]
-  - flagstat:
-      type: file
-      description: File containing samtools flagstat output
-      pattern: "*.{flagstat}"
-  - versions:
-      type: file
-      description: File containing software versions
-      pattern: "versions.yml"
-authors:
-  - "@drpatelh"
diff --git a/nextflow.config b/nextflow.config
index 8aa8722..e559a85 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -66,6 +66,7 @@ params {
     longread_clip                           = false
 
     // Host Removal
+    shortread_hostremoval           = false
     shortread_hostremoval_reference = null
     shortread_hostremoval_index     = null
 
diff --git a/nextflow_schema.json b/nextflow_schema.json
index fb2ca31..0b5162b 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -266,8 +266,7 @@
             "type": "boolean"
         },
         "shortread_clipmerge_excludeunmerged": {
-            "type": "boolean",
-            "default": false
+            "type": "boolean"
         },
         "longread_clip": {
             "type": "boolean"
@@ -304,6 +303,17 @@
         "shortread_clipmerge_minlength": {
             "type": "integer",
             "default": 15
+        },
+        "shortread_hostremoval": {
+            "type": "boolean"
+        },
+        "shortread_hostremoval_reference": {
+            "type": "string",
+            "default": null
+        },
+        "shortread_hostremoval_index": {
+            "type": "string",
+            "default": null
         }
     }
 }
diff --git a/subworkflows/local/shortread_hostremoval.nf b/subworkflows/local/shortread_hostremoval.nf
index 4b0861c..505f989 100644
--- a/subworkflows/local/shortread_hostremoval.nf
+++ b/subworkflows/local/shortread_hostremoval.nf
@@ -2,38 +2,33 @@
 // Remove host reads via alignment and export off-target reads
 //
 
-include { BOWTIE2_ALIGN             } from '../../../modules/nf-core/modules/bowtie2/align/main'
-include { BOWTIE2_BUILD             } from '../../../modules/nf-core/modules/bowtie2/build/main'
-include { SAMTOOLS_VIEW             } from '../../../modules/nf-core/modules/samtools/view/main'
-include { SAMTOOLS_FASTQ            } from '../../../modules/nf-core/modules/samtools/fastq/main'
-include { SAMTOOLS_FLAGSTAT         } from '../../../modules/nf-core/modules/samtools/flagstat/main'
+include { BOWTIE2_BUILD             } from '../../modules/nf-core/modules/bowtie2/build/main'
+include { BOWTIE2_ALIGN             } from '../../modules/nf-core/modules/bowtie2/align/main'
 
-workflow SHORTREAD_PREPROCESSING {
+workflow SHORTREAD_HOSTREMOVAL {
     take:
     reads     // [ [ meta ], [ reads ] ]
     reference // /path/to/fasta
+    index     // /path/to/index
 
     main:
     ch_versions       = Channel.empty()
     ch_multiqc_files  = Channel.empty()
 
     if ( !params.shortread_hostremoval_index ) {
-        file( , checkIfExists: true )
-        BOWTIE2_BUILD ( reference )
-        ch_versions = ch_versions.mix( BOWTIE2_BUILD.out.versions )
+        ch_bowtie2_index = BOWTIE2_BUILD ( reference ).index
+        ch_versions      = ch_versions.mix( BOWTIE2_BUILD.out.versions )
+    } else {
+        ch_bowtie2_index = index.first()
     }
 
-    BOWTIE2_ALIGN ( reads, BOWTIE2_BUILD.out.index )
-    ch_versions = ch_versions.mix( BOWTIE2_BUILD.out.versions )
-    ch_multiqc_files = ch_multiqc_files.mix( SAMTOOLS_FLAGSTAT.out.log )
-
-    SAMTOOLS_FLAGSTAT ( BOWTIE2_ALIGN.out.bam )
-    ch_versions = ch_versions.mix( SAMTOOLS_FLAGSTAT.out.versions )
-    ch_multiqc_files = ch_multiqc_files.mix( SAMTOOLS_FLAGSTAT.out.flagstat )
+    BOWTIE2_ALIGN ( reads, ch_bowtie2_index, true )
+    ch_versions      = ch_versions.mix( BOWTIE2_ALIGN.out.versions.first() )
+    ch_multiqc_files = ch_multiqc_files.mix( BOWTIE2_ALIGN.out.log )
 
     emit:
     reads    = BOWTIE2_ALIGN.out.fastq   // channel: [ val(meta), [ reads ] ]
-    versions = ch_versions          // channel: [ versions.yml ]
+    versions = ch_versions               // channel: [ versions.yml ]
     mqc      = ch_multiqc_files
 }
 
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index c5678f1..631aee6 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -23,8 +23,11 @@ if (params.shortread_clipmerge_mergepairs && params.run_malt ) log.warn "[nf-cor
 if (params.shortread_clipmerge_excludeunmerged && !params.shortread_clipmerge_mergepairs) exit 1, "[nf-core/taxprofiler] error: cannot include unmerged reads when merging not turned on. Please specify --shortread_clipmerge_mergepairs"
 
 // TODO Add check if index but no reference exit 1
-if (params.shortread_hostremoval_reference   ) { ch_reference       = file(params.shortread_hostremoval_reference) } else {    }
-if (params.shortread_hostremoval_index)        { ch_reference_index = file(params.shortread_hostremoval_index    ) } else { ch_reference_index = [] }
+if (params.shortread_hostremoval && !params.shortread_hostremoval_reference) { exit 1, "[nf-core/taxprofiler] error: --shortread_hostremoval requested but no --shortread_hostremoval_reference FASTA supplied. Check input." }
+if (!params.shortread_hostremoval_reference && params.shortread_hostremoval_reference_index) { exit 1, "[nf-core/taxprofiler] error: --shortread_hostremoval_index provided but no --shortread_hostremoval_reference FASTA supplied. Check input." }
+
+if (params.shortread_hostremoval_reference ) { ch_reference       = file(params.shortread_hostremoval_reference) } else { ch_reference       = [] }
+if (params.shortread_hostremoval_index     ) { ch_reference_index = file(params.shortread_hostremoval_index    ) } else { ch_reference_index = [] }
 
 /*
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
@@ -49,6 +52,7 @@ include { INPUT_CHECK             } from '../subworkflows/local/input_check'
 include { DB_CHECK                } from '../subworkflows/local/db_check'
 include { SHORTREAD_PREPROCESSING } from '../subworkflows/local/shortread_preprocessing'
 include { LONGREAD_PREPROCESSING  } from '../subworkflows/local/longread_preprocessing'
+include { SHORTREAD_HOSTREMOVAL   } from '../subworkflows/local/shortread_hostremoval'
 
 /*
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
@@ -120,17 +124,24 @@ workflow TAXPROFILER {
     if ( params.longread_clip ) {
         ch_longreads_preprocessed = LONGREAD_PREPROCESSING ( INPUT_CHECK.out.nanopore ).reads
                                         .map { it -> [ it[0], [it[1]] ] }
-    ch_versions = ch_versions.mix(LONGREAD_PREPROCESSING.out.versions.first())
-    } else {
+        ch_versions = ch_versions.mix(LONGREAD_PREPROCESSING.out.versions.first())
+    } else {SHORTREAD_HOSTREMOVAL
         ch_longreads_preprocessed = INPUT_CHECK.out.nanopore
     }
 
+    if ( params.shortread_hostremoval ) {
+        ch_shortreads_hostremoved = SHORTREAD_HOSTREMOVAL ( ch_shortreads_preprocessed, ch_reference, ch_reference_index ).reads
+        ch_versions = ch_versions.mix(SHORTREAD_HOSTREMOVAL.out.versions.first())
+    } else {
+        ch_shortreads_hostremoved = ch_shortreads_preprocessed
+    }
+
     /*
         COMBINE READS WITH POSSIBLE DATABASES
     */
 
     // e.g. output [DUMP: reads_plus_db] [['id':'2612', 'run_accession':'combined', 'instrument_platform':'ILLUMINA', 'single_end':1], <reads_path>/2612.merged.fastq.gz, ['tool':'malt', 'db_name':'mal95', 'db_params':'"-id 90"'], <db_path>/malt90]
-    ch_input_for_profiling = ch_shortreads_preprocessed
+    ch_input_for_profiling = ch_shortreads_hostremoved
             .mix( ch_longreads_preprocessed )
             .combine(DB_CHECK.out.dbs)
             .branch {
@@ -196,9 +207,15 @@ workflow TAXPROFILER {
     if (params.shortread_clipmerge) {
         ch_multiqc_files = ch_multiqc_files.mix(SHORTREAD_PREPROCESSING.out.mqc)
     }
+
+    if (params.shortread_hostremoval) {
+        ch_multiqc_files = ch_multiqc_files.mix(SHORTREAD_HOSTREMOVAL.out.mqc.collect{it[1]}.ifEmpty([]))
+    }
+
     if (params.longread_clip) {
         ch_multiqc_files = ch_multiqc_files.mix(LONGREAD_PREPROCESSING.out.mqc)
     }
+
     if (params.run_kraken2) {
         ch_multiqc_files = ch_multiqc_files.mix(KRAKEN2_KRAKEN2.out.txt.collect{it[1]}.ifEmpty([]))
         ch_versions = ch_versions.mix(KRAKEN2_KRAKEN2.out.versions.first())

From a76576c16b44be09548f8f8c6bede81aef2a4d99 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sun, 3 Apr 2022 17:24:50 +0200
Subject: [PATCH 099/789] Prettier

---
 modules.json | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules.json b/modules.json
index 398c351..cd1a0a9 100644
--- a/modules.json
+++ b/modules.json
@@ -44,4 +44,4 @@
             }
         }
     }
-}
\ No newline at end of file
+}

From 3a562065138a4ef9035e43b558c844f58a36611d Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Mon, 4 Apr 2022 16:55:48 +0200
Subject: [PATCH 100/789] Centrifuge classification

---
 nextflow.config      | 2 +-
 nextflow_schema.json | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/nextflow.config b/nextflow.config
index 725f892..a99481c 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -74,7 +74,7 @@ params {
 
     // centrifuge
     run_centrifuge             = false
-    centrifuge_db_name         = false
+    centrifuge_db_name         = 'minigut_cf'
     centrifuge_save_unaligned  = false
     centrifuge_save_aligned    = false
     centrifuge_sam_format      = false
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 3ec2aae..777b82f 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -336,7 +336,7 @@
         },
         "centrifuge_db_name": {
             "type": "string",
-            "default": "false"
+            "default": null
         }
     }
 }
\ No newline at end of file

From a384162810cb1fe1d800d7c3f2053f01c25083da Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 4 Apr 2022 21:16:51 +0200
Subject: [PATCH 101/789] Add prinseq as alternative complexity filtering

---
 CITATIONS.md                                  | 12 ++--
 conf/modules.config                           | 15 ++++-
 modules.json                                  |  5 +-
 .../nf-core/modules/prinseqplusplus/main.nf   | 61 +++++++++++++++++++
 .../nf-core/modules/prinseqplusplus/meta.yml  | 60 ++++++++++++++++++
 nextflow.config                               | 13 ++--
 nextflow_schema.json                          | 37 ++++++++---
 .../local/shortread_complexityfiltering.nf    |  6 +-
 8 files changed, 189 insertions(+), 20 deletions(-)
 create mode 100644 modules/nf-core/modules/prinseqplusplus/main.nf
 create mode 100644 modules/nf-core/modules/prinseqplusplus/meta.yml

diff --git a/CITATIONS.md b/CITATIONS.md
index 0eb8141..ec424b1 100644
--- a/CITATIONS.md
+++ b/CITATIONS.md
@@ -18,23 +18,27 @@
 
 - [fastp](https://doi.org/10.1093/bioinformatics/bty560)
 
-  > Chen, Shifu, Yanqing Zhou, Yaru Chen, and Jia Gu. 2018. “Fastp: An Ultra-Fast All-in-One FASTQ Preprocessor.” Bioinformatics 34 (17): i884-90. 10.1093/bioinformatics/bty560.
+  > Chen, Shifu, Yanqing Zhou, Yaru Chen, and Jia Gu. 2018. Fastp: An Ultra-Fast All-in-One FASTQ Preprocessor. Bioinformatics 34 (17): i884-90. 10.1093/bioinformatics/bty560.
 
 - [AdapterRemoval2](https://doi.org/10.1186/s13104-016-1900-2)
 
-  > Schubert, Mikkel, Stinus Lindgreen, and Ludovic Orlando. 2016. “AdapterRemoval v2: Rapid Adapter Trimming, Identification, and Read Merging.” BMC Research Notes 9 (February): 88. doi:10.1186/s13104-016-1900-2.
+  > Schubert, Mikkel, Stinus Lindgreen, and Ludovic Orlando. 2016. AdapterRemoval v2: Rapid Adapter Trimming, Identification, and Read Merging. BMC Research Notes 9 (February): 88. doi:10.1186/s13104-016-1900-2.
 
 - [Porechop](https://github.com/rrwick/Porechop)
 
 - [BBTools](http://sourceforge.net/projects/bbmap/)
 
+- [PRINSEQ++](https://doi.org/10.7287/peerj.preprints.27553v1)
+
+  > Cantu, Vito Adrian, Jeffrey Sadural, and Robert Edwards. 2019. PRINSEQ++, a Multi-Threaded Tool for Fast and Efficient Quality Control and Preprocessing of Sequencing Datasets. e27553v1. PeerJ Preprints. doi: 10.7287/peerj.preprints.27553v1.
+
 - [Kraken2](https://doi.org/10.1186/s13059-019-1891-0)
 
-  > Wood, Derrick E., Jennifer Lu, and Ben Langmead. 2019. “Improved Metagenomic Analysis with Kraken 2.” Genome Biology 20 (1): 257. doi: 10.1186/s13059-019-1891-0.
+  > Wood, Derrick E., Jennifer Lu, and Ben Langmead. 2019. Improved Metagenomic Analysis with Kraken 2. Genome Biology 20 (1): 257. doi: 10.1186/s13059-019-1891-0.
 
 - [MALT](https://doi.org/10.1038/s41559-017-0446-6)
 
-  > Vågene, Åshild J., Alexander Herbig, Michael G. Campana, Nelly M. Robles García, Christina Warinner, Susanna Sabin, Maria A. Spyrou, et al. 2018. “Salmonella Enterica Genomes from Victims of a Major Sixteenth-Century Epidemic in Mexico.” Nature Ecology & Evolution 2 (3): 520-28. doi: 10.1038/s41559-017-0446-6.
+  > Vågene, Åshild J., Alexander Herbig, Michael G. Campana, Nelly M. Robles García, Christina Warinner, Susanna Sabin, Maria A. Spyrou, et al. 2018. Salmonella Enterica Genomes from Victims of a Major Sixteenth-Century Epidemic in Mexico. Nature Ecology & Evolution 2 (3): 520-28. doi: 10.1038/s41559-017-0446-6.
 
 ## Software packaging/containerisation tools
 
diff --git a/conf/modules.config b/conf/modules.config
index 601f915..9d2edc3 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -143,7 +143,7 @@ process {
 
     withName: BBMAP_BBDUK {
         ext.args =  [
-                "entropy=${params.shortread_complexityfilter_bbduk_entropy}",
+                "entropy=${params.shortread_complexityfilter_entropy}",
                 "entropywindow=${params.shortread_complexityfilter_bbduk_windowsize}",
                 params.shortread_complexityfilter_bbduk_mask ?  "entropymask=t" : "entropymask=f"
             ].join(' ').trim()
@@ -155,6 +155,19 @@ process {
         ]
     }
 
+    withName: PRINSEQPLUSPLUS {
+        ext.args =  [
+                params.shortread_complexityfilter_prinseqplusplus_mode == 'dust' ? "-lc_dust=${params.shortread_complexityfilter_prinseqplusplus_dustscore}" : "-lc_entropy=${params.shortread_complexityfilter_entropy}",
+                "-trim_qual_left=0 -trim_qual_left=0 -trim_qual_window=0 -trim_qual_step=0"
+            ].join(' ').trim()
+        ext.prefix = { "${meta.id}-${meta.run_accession}" }
+        publishDir = [
+            path: { "${params.outdir}/prinseqplusplus/" },
+            mode: params.publish_dir_mode,
+            pattern: '*{_good_out.fastq.gz,_good_out_R1.fastq.gz,_good_out_R2.fastq.gz,log}'
+        ]
+    }
+
     withName: MALT_RUN {
         ext.args = { "${meta.db_params}" }
         ext.prefix = { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
diff --git a/modules.json b/modules.json
index 64e6c3c..355dc9e 100644
--- a/modules.json
+++ b/modules.json
@@ -33,9 +33,12 @@
             "porechop": {
                 "git_sha": "e20e57f90b6787ac9a010a980cf6ea98bd990046"
             },
+            "prinseqplusplus": {
+                "git_sha": "f1c5384c31e985591716afdd732cf8c2ae29d05b"
+            },
             "untar": {
                 "git_sha": "e080f4c8acf5760039ed12ec1f206170f3f9a918"
             }
         }
     }
-}
+}
\ No newline at end of file
diff --git a/modules/nf-core/modules/prinseqplusplus/main.nf b/modules/nf-core/modules/prinseqplusplus/main.nf
new file mode 100644
index 0000000..ebd8c58
--- /dev/null
+++ b/modules/nf-core/modules/prinseqplusplus/main.nf
@@ -0,0 +1,61 @@
+process PRINSEQPLUSPLUS {
+    tag "$meta.id"
+    label 'process_low'
+
+    conda (params.enable_conda ? "bioconda::prinseq-plus-plus=1.2.3" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/prinseq-plus-plus:1.2.3--hc90279e_1':
+        'quay.io/biocontainers/prinseq-plus-plus:1.2.3--hc90279e_1' }"
+
+    input:
+    tuple val(meta), path(reads)
+
+    output:
+    tuple val(meta), path("*_good_out*.fastq.gz")                  , emit: good_reads
+    tuple val(meta), path("*_single_out*.fastq.gz"), optional: true, emit: single_reads
+    tuple val(meta), path("*_bad_out*.fastq.gz")   , optional: true, emit: bad_reads
+    tuple val(meta), path("*.log")                                 , emit: log
+    path "versions.yml"                                            , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
+
+    if (meta.single_end) {
+        """
+        prinseq++ \\
+            -threads $task.cpus \\
+            -fastq ${reads} \\
+            -out_name ${prefix} \\
+            -out_gz \\
+            -VERBOSE 1 \\
+            $args \\
+            | tee ${prefix}.log
+
+        cat <<-END_VERSIONS > versions.yml
+        "${task.process}":
+            prinseqplusplus: \$(echo \$(prinseq++ --version | cut -f 2 -d ' ' ))
+        END_VERSIONS
+        """
+    } else {
+        """
+        prinseq++ \\
+            -threads $task.cpus \\
+            -fastq ${reads[0]} \\
+            -fastq2 ${reads[1]} \\
+            -out_name ${prefix} \\
+            -out_gz \\
+            -VERBOSE 1 \\
+            $args \\
+            | tee ${prefix}.log
+
+        cat <<-END_VERSIONS > versions.yml
+        "${task.process}":
+            prinseqplusplus: \$(echo \$(prinseq++ --version | cut -f 2 -d ' ' ))
+        END_VERSIONS
+        """
+    }
+}
diff --git a/modules/nf-core/modules/prinseqplusplus/meta.yml b/modules/nf-core/modules/prinseqplusplus/meta.yml
new file mode 100644
index 0000000..8155df9
--- /dev/null
+++ b/modules/nf-core/modules/prinseqplusplus/meta.yml
@@ -0,0 +1,60 @@
+name: "prinseqplusplus"
+description: PRINSEQ++ is a C++ implementation of the prinseq-lite.pl program. It can be used to filter, reformat or trim genomic and metagenomic sequence data
+keywords:
+  - fastq
+  - fasta
+  - filter
+  - trim
+tools:
+  - "prinseqplusplus":
+      description: "PRINSEQ++ - Multi-threaded C++ sequence cleaning"
+      homepage: "https://github.com/Adrian-Cantu/PRINSEQ-plus-plus"
+      documentation: "https://github.com/Adrian-Cantu/PRINSEQ-plus-plus"
+      tool_dev_url: "https://github.com/Adrian-Cantu/PRINSEQ-plus-plus"
+      doi: "10.7287/peerj.preprints.27553v1"
+      licence: "['GPL v2']"
+
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - reads:
+      type: file
+      description: |
+        List of input FastQ files of size 1 and 2 for single-end and paired-end
+        data, respectively.
+
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+  - good_reads:
+      type: file
+      description: Reads passing filter(s) in gzipped FASTQ format
+      pattern: "*_good_out_{R1,R2}.fastq.gz"
+  - single_reads:
+      type: file
+      description: |
+        Single reads without the pair passing filter(s) in gzipped FASTQ format
+      pattern: "*_single_out_{R1,R2}.fastq.gz"
+  - bad_reads:
+      type: file
+      description: |
+        Reads without not passing filter(s) in gzipped FASTQ format
+      pattern: "*_bad_out_{R1,R2}.fastq.gz"
+  - log:
+      type: file
+      description: |
+        Verbose level 2 STDOUT information in a log file
+      pattern: "*.log"
+
+authors:
+  - "@jfy133"
diff --git a/nextflow.config b/nextflow.config
index d57743a..03dfbb9 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -66,11 +66,14 @@ params {
     longread_clip                           = false
 
     // Complexity filtering
-    shortread_complexityfilter                  = false
-    shortread_complexityfilter_tool             = 'bbduk'
-    shortread_complexityfilter_bbduk_entropy    = 0.3
-    shortread_complexityfilter_bbduk_windowsize = 50
-    shortread_complexityfilter_bbduk_mask       = false
+    shortread_complexityfilter                           = false
+    shortread_complexityfilter_tool                      = 'bbduk'
+    shortread_complexityfilter_entropy                   = 0.3
+    shortread_complexityfilter_bbduk_windowsize          = 50
+    shortread_complexityfilter_bbduk_mask                = false
+    shortread_complexityfilter_prinseqplusplus_mode      = 'entropy'
+    shortread_complexityfilter_prinseqplusplus_dustscore = 0.5
+
 
     // MALT
     run_malt                   = false
diff --git a/nextflow_schema.json b/nextflow_schema.json
index bd8b438..6dee045 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,7 +10,10 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["input", "outdir"],
+            "required": [
+                "input",
+                "outdir"
+            ],
             "properties": {
                 "input": {
                     "type": "string",
@@ -173,7 +176,14 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
+                    "enum": [
+                        "symlink",
+                        "rellink",
+                        "link",
+                        "copy",
+                        "copyNoFollow",
+                        "move"
+                    ],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -284,7 +294,10 @@
         "shortread_clipmerge_tool": {
             "type": "string",
             "default": "fastp",
-            "enum": ["fastp", "adapterremoval"]
+            "enum": [
+                "fastp",
+                "adapterremoval"
+            ]
         },
         "shortread_clipmerge_skipadaptertrim": {
             "type": "boolean"
@@ -308,10 +321,6 @@
             "type": "string",
             "default": "bbduk"
         },
-        "shortread_complexityfilter_bbduk_entropy": {
-            "type": "number",
-            "default": 0.3
-        },
         "shortread_complexityfilter_bbduk_windowsize": {
             "type": "integer",
             "default": 50
@@ -321,6 +330,18 @@
         },
         "shortread_complexityfilter": {
             "type": "boolean"
+        },
+        "shortread_complexityfilter_entropy": {
+            "type": "number",
+            "default": 0.3
+        },
+        "shortread_complexityfilter_prinseqplusplus_mode": {
+            "type": "string",
+            "default": "entropy"
+        },
+        "shortread_complexityfilter_prinseqplusplus_dustscore": {
+            "type": "number",
+            "default": 0.5
         }
     }
-}
+}
\ No newline at end of file
diff --git a/subworkflows/local/shortread_complexityfiltering.nf b/subworkflows/local/shortread_complexityfiltering.nf
index 3d69ed6..12686d7 100644
--- a/subworkflows/local/shortread_complexityfiltering.nf
+++ b/subworkflows/local/shortread_complexityfiltering.nf
@@ -2,7 +2,8 @@
 // Check input samplesheet and get read channels
 //
 
-include { BBMAP_BBDUK } from '../../modules/nf-core/modules/bbmap/bbduk/main'
+include { BBMAP_BBDUK     } from '../../modules/nf-core/modules/bbmap/bbduk/main'
+include { PRINSEQPLUSPLUS } from '../../modules/nf-core/modules/prinseqplusplus/main'
 
 workflow SHORTREAD_COMPLEXITYFILTERING {
     take:
@@ -16,6 +17,9 @@ workflow SHORTREAD_COMPLEXITYFILTERING {
         ch_filtered_reads = BBMAP_BBDUK ( reads, [] ).reads
         ch_versions        =  ch_versions.mix( BBMAP_BBDUK.out.versions.first() )
         ch_multiqc_files   =  ch_multiqc_files.mix( BBMAP_BBDUK.out.log )
+    } else if ( params.shortread_complexityfilter_tool == 'prinseqplusplus' ) {
+        ch_filtered_reads = PRINSEQPLUSPLUS ( reads ).good_reads
+        ch_versions        =  ch_versions.mix( PRINSEQPLUSPLUS.out.versions.first() )
     } else {
         ch_filtered_reads = reads
     }

From 613f6a5565dbaaf6bef06ba980a6b017506490f7 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 4 Apr 2022 21:21:29 +0200
Subject: [PATCH 102/789] Prettier

---
 modules.json         |  2 +-
 nextflow_schema.json | 21 ++++-----------------
 2 files changed, 5 insertions(+), 18 deletions(-)

diff --git a/modules.json b/modules.json
index 355dc9e..d8ac3db 100644
--- a/modules.json
+++ b/modules.json
@@ -41,4 +41,4 @@
             }
         }
     }
-}
\ No newline at end of file
+}
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 6dee045..75e1abe 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,10 +10,7 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": [
-                "input",
-                "outdir"
-            ],
+            "required": ["input", "outdir"],
             "properties": {
                 "input": {
                     "type": "string",
@@ -176,14 +173,7 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": [
-                        "symlink",
-                        "rellink",
-                        "link",
-                        "copy",
-                        "copyNoFollow",
-                        "move"
-                    ],
+                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -294,10 +284,7 @@
         "shortread_clipmerge_tool": {
             "type": "string",
             "default": "fastp",
-            "enum": [
-                "fastp",
-                "adapterremoval"
-            ]
+            "enum": ["fastp", "adapterremoval"]
         },
         "shortread_clipmerge_skipadaptertrim": {
             "type": "boolean"
@@ -344,4 +331,4 @@
             "default": 0.5
         }
     }
-}
\ No newline at end of file
+}

From c54c32c4947df993231c364ac3fe19f2abb85eed Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Tue, 5 Apr 2022 10:18:34 +0200
Subject: [PATCH 103/789] chore: update adapterremoval

---
 modules.json                                  |  4 +-
 .../nf-core/modules/adapterremoval/main.nf    | 44 ++++++++++++++-----
 .../nf-core/modules/adapterremoval/meta.yml   | 14 +++---
 3 files changed, 42 insertions(+), 20 deletions(-)

diff --git a/modules.json b/modules.json
index 9953edb..51f13ea 100644
--- a/modules.json
+++ b/modules.json
@@ -4,7 +4,7 @@
     "repos": {
         "nf-core/modules": {
             "adapterremoval": {
-                "git_sha": "f0800157544a82ae222931764483331a81812012"
+                "git_sha": "879d42c5e28661fe0a5e744c9e2c515868f9e08a"
             },
             "cat/fastq": {
                 "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
@@ -38,4 +38,4 @@
             }
         }
     }
-}
+}
\ No newline at end of file
diff --git a/modules/nf-core/modules/adapterremoval/main.nf b/modules/nf-core/modules/adapterremoval/main.nf
index 9d16b9c..0e17c05 100644
--- a/modules/nf-core/modules/adapterremoval/main.nf
+++ b/modules/nf-core/modules/adapterremoval/main.nf
@@ -12,15 +12,14 @@ process ADAPTERREMOVAL {
     path(adapterlist)
 
     output:
-    tuple val(meta), path("${prefix}.truncated.gz")            , optional: true, emit: singles_truncated
-    tuple val(meta), path("${prefix}.discarded.gz")            , optional: true, emit: discarded
-    tuple val(meta), path("${prefix}.pair1.truncated.gz")      , optional: true, emit: pair1_truncated
-    tuple val(meta), path("${prefix}.pair2.truncated.gz")      , optional: true, emit: pair2_truncated
-    tuple val(meta), path("${prefix}.collapsed.gz")            , optional: true, emit: collapsed
-    tuple val(meta), path("${prefix}.collapsed.truncated.gz")  , optional: true, emit: collapsed_truncated
-    tuple val(meta), path("${prefix}.paired.gz")               , optional: true, emit: paired_interleaved
-    tuple val(meta), path('*.log')                             , emit: log
-    path "versions.yml"                                        , emit: versions
+    tuple val(meta), path("${prefix}.truncated.fastq.gz")            , optional: true, emit: singles_truncated
+    tuple val(meta), path("${prefix}.discarded.fastq.gz")            , optional: true, emit: discarded
+    tuple val(meta), path("${prefix}.pair{1,2}.truncated.fastq.gz")  , optional: true, emit: paired_truncated
+    tuple val(meta), path("${prefix}.collapsed.fastq.gz")            , optional: true, emit: collapsed
+    tuple val(meta), path("${prefix}.collapsed.truncated.fastq.gz")  , optional: true, emit: collapsed_truncated
+    tuple val(meta), path("${prefix}.paired.fastq.gz")               , optional: true, emit: paired_interleaved
+    tuple val(meta), path('*.settings')                              , emit: settings
+    path "versions.yml"                                              , emit: versions
 
     when:
     task.ext.when == null || task.ext.when
@@ -38,10 +37,19 @@ process ADAPTERREMOVAL {
             $adapterlist \\
             --basename ${prefix} \\
             --threads ${task.cpus} \\
-            --settings ${prefix}.log \\
             --seed 42 \\
             --gzip
 
+        ensure_fastq() {
+            if [ -f "\${1}" ]; then
+                mv "\${1}" "\${1::-3}.fastq.gz"
+            fi
+
+        }
+
+        ensure_fastq '${prefix}.truncated.gz'
+        ensure_fastq '${prefix}.discarded.gz'
+
         cat <<-END_VERSIONS > versions.yml
         "${task.process}":
             adapterremoval: \$(AdapterRemoval --version 2>&1 | sed -e "s/AdapterRemoval ver. //g")
@@ -56,10 +64,24 @@ process ADAPTERREMOVAL {
             $adapterlist \\
             --basename ${prefix} \\
             --threads $task.cpus \\
-            --settings ${prefix}.log \\
             --seed 42 \\
             --gzip
 
+        ensure_fastq() {
+            if [ -f "\${1}" ]; then
+                mv "\${1}" "\${1::-3}.fastq.gz"
+            fi
+
+        }
+
+        ensure_fastq '${prefix}.truncated.gz'
+        ensure_fastq '${prefix}.discarded.gz'
+        ensure_fastq '${prefix}.pair1.truncated.gz'
+        ensure_fastq '${prefix}.pair2.truncated.gz'
+        ensure_fastq '${prefix}.collapsed.gz'
+        ensure_fastq '${prefix}.collapsed.truncated.gz'
+        ensure_fastq '${prefix}.paired.gz'
+
         cat <<-END_VERSIONS > versions.yml
         "${task.process}":
             adapterremoval: \$(AdapterRemoval --version 2>&1 | sed -e "s/AdapterRemoval ver. //g")
diff --git a/modules/nf-core/modules/adapterremoval/meta.yml b/modules/nf-core/modules/adapterremoval/meta.yml
index 5faad04..77273f6 100644
--- a/modules/nf-core/modules/adapterremoval/meta.yml
+++ b/modules/nf-core/modules/adapterremoval/meta.yml
@@ -43,43 +43,43 @@ output:
         Adapter trimmed FastQ files of either single-end reads, or singleton
         'orphaned' reads from merging of paired-end data (i.e., one of the pair
         was lost due to filtering thresholds).
-      pattern: "*.truncated.gz"
+      pattern: "*.truncated.fastq.gz"
   - discarded:
       type: file
       description: |
         Adapter trimmed FastQ files of reads that did not pass filtering
         thresholds.
-      pattern: "*.discarded.gz"
+      pattern: "*.discarded.fastq.gz"
   - pair1_truncated:
       type: file
       description: |
         Adapter trimmed R1 FastQ files of paired-end reads that did not merge
         with their respective R2 pair due to long templates. The respective pair
         is stored in 'pair2_truncated'.
-      pattern: "*.pair1.truncated.gz"
+      pattern: "*.pair1.truncated.fastq.gz"
   - pair2_truncated:
       type: file
       description: |
         Adapter trimmed R2 FastQ files of paired-end reads that did not merge
         with their respective R1 pair due to long templates. The respective pair
         is stored in 'pair1_truncated'.
-      pattern: "*.pair2.truncated.gz"
+      pattern: "*.pair2.truncated.fastq.gz"
   - collapsed:
       type: file
       description: |
         Collapsed FastQ of paired-end reads that successfully merged with their
         respective R1 pair but were not trimmed.
-      pattern: "*.collapsed.gz"
+      pattern: "*.collapsed.fastq.gz"
   - collapsed_truncated:
       type: file
       description: |
         Collapsed FastQ of paired-end reads that successfully merged with their
         respective R1 pair and were trimmed of adapter due to sufficient overlap.
-      pattern: "*.collapsed.truncated.gz"
+      pattern: "*.collapsed.truncated.fastq.gz"
   - log:
       type: file
       description: AdapterRemoval log file
-      pattern: "*.log"
+      pattern: "*.settings"
   - versions:
       type: file
       description: File containing software versions

From 0e9b2989e3fd59b6e05a77a8faf6ed89d6ddea03 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Tue, 5 Apr 2022 10:53:04 +0200
Subject: [PATCH 104/789] refactor: remove superfluous ENSURE_FASTQ_EXTENSION

---
 .../local/shortread_adapterremoval.nf         | 75 ++++---------------
 1 file changed, 16 insertions(+), 59 deletions(-)

diff --git a/subworkflows/local/shortread_adapterremoval.nf b/subworkflows/local/shortread_adapterremoval.nf
index e522a1a..8c02f6f 100644
--- a/subworkflows/local/shortread_adapterremoval.nf
+++ b/subworkflows/local/shortread_adapterremoval.nf
@@ -5,11 +5,6 @@ Process short raw reads with AdapterRemoval
 include { ADAPTERREMOVAL as ADAPTERREMOVAL_SINGLE       } from '../../modules/nf-core/modules/adapterremoval/main'
 include { ADAPTERREMOVAL as ADAPTERREMOVAL_PAIRED       } from '../../modules/nf-core/modules/adapterremoval/main'
 include { CAT_FASTQ                                     } from '../../modules/nf-core/modules/cat/fastq/main'
-include {
-    ENSURE_FASTQ_EXTENSION as ENSURE_FASTQ_EXTENSION1;
-    ENSURE_FASTQ_EXTENSION as ENSURE_FASTQ_EXTENSION2;
-    ENSURE_FASTQ_EXTENSION as ENSURE_FASTQ_EXTENSION3;
-} from '../../modules/local/ensure_fastq_extension'
 
 workflow SHORTREAD_ADAPTERREMOVAL {
 
@@ -36,34 +31,25 @@ workflow SHORTREAD_ADAPTERREMOVAL {
 
     if ( params.shortread_clipmerge_mergepairs && !params.shortread_clipmerge_excludeunmerged ) {
 
-        ENSURE_FASTQ_EXTENSION1(
-            Channel.empty().mix(
+        ch_concat_fastq = Channel.empty()
+            .mix(
                 ADAPTERREMOVAL_PAIRED.out.collapsed,
                 ADAPTERREMOVAL_PAIRED.out.collapsed_truncated,
                 ADAPTERREMOVAL_PAIRED.out.singles_truncated,
-                ADAPTERREMOVAL_PAIRED.out.pair1_truncated,
-                ADAPTERREMOVAL_PAIRED.out.pair2_truncated
+                ADAPTERREMOVAL_PAIRED.out.paired_truncated
             )
-            .map { meta, reads ->
-                meta.single_end = true
-                [meta, reads]
-            }
-        )
-
-        CAT_FASTQ(
-            ENSURE_FASTQ_EXTENSION1.out.reads
-                .groupTuple()
-        )
+            .groupTuple()
+            .map { [it.head(), it.tail().flatten()] }
 
-        ENSURE_FASTQ_EXTENSION2(ADAPTERREMOVAL_SINGLE.out.singles_truncated)
+        CAT_FASTQ(ch_concat_fastq)
 
         ch_adapterremoval_reads_prepped = CAT_FASTQ.out.reads
-            .mix(ENSURE_FASTQ_EXTENSION2.out.reads)
+            .mix(ADAPTERREMOVAL_SINGLE.out.singles_truncated)
 
     } else if ( params.shortread_clipmerge_mergepairs && params.shortread_clipmerge_excludeunmerged ) {
 
-        ENSURE_FASTQ_EXTENSION1(
-            Channel.empty().mix(
+        ch_concat_fastq = Channel.empty()
+            .mix(
                 ADAPTERREMOVAL_PAIRED.out.collapsed,
                 ADAPTERREMOVAL_PAIRED.out.collapsed_truncated
             )
@@ -71,54 +57,25 @@ workflow SHORTREAD_ADAPTERREMOVAL {
                 meta.single_end = true
                 [meta, reads]
             }
-        )
-
-        CAT_FASTQ(
-            ENSURE_FASTQ_EXTENSION1.out.reads
-                .groupTuple()
-        )
+            .groupTuple()
 
-        ENSURE_FASTQ_EXTENSION2(ADAPTERREMOVAL_SINGLE.out.singles_truncated)
+        CAT_FASTQ(ch_concat_fastq)
 
         ch_adapterremoval_reads_prepped = CAT_FASTQ.out.reads
-            .mix(ENSURE_FASTQ_EXTENSION2.out.reads)
+            .mix(ADAPTERREMOVAL_SINGLE.out.singles_truncated)
 
     } else {
 
-        ENSURE_FASTQ_EXTENSION1(
-            ADAPTERREMOVAL_PAIRED.out.pair1_truncated
-            .map { meta, reads ->
-                meta.single_end = true
-                [meta, reads]
-            }
-        )
-
-        ENSURE_FASTQ_EXTENSION2(
-            ADAPTERREMOVAL_PAIRED.out.pair2_truncated
-            .map { meta, reads ->
-                meta.single_end = true
-                [meta, reads]
-            }
-        )
-
-        ENSURE_FASTQ_EXTENSION3(ADAPTERREMOVAL_SINGLE.out.singles_truncated)
-
-        ch_adapterremoval_reads_prepped = ENSURE_FASTQ_EXTENSION1.out.reads
-            .join(ENSURE_FASTQ_EXTENSION2.out.reads)
-            .groupTuple()
-            .map { meta, pair1, pair2 ->
-                meta.single_end = false
-                [ meta, [ pair1, pair2 ].flatten() ]
-            }
-            .mix(ENSURE_FASTQ_EXTENSION3.out.reads)
+        ch_adapterremoval_reads_prepped = ADAPTERREMOVAL_PAIRED.out.paired_truncated
+            .mix(ADAPTERREMOVAL_SINGLE.out.singles_truncated)
 
     }
 
     ch_versions = ch_versions.mix( ADAPTERREMOVAL_SINGLE.out.versions.first() )
     ch_versions = ch_versions.mix( ADAPTERREMOVAL_PAIRED.out.versions.first() )
     ch_multiqc_files = ch_multiqc_files.mix(
-        ADAPTERREMOVAL_PAIRED.out.log.collect{it[1]},
-        ADAPTERREMOVAL_SINGLE.out.log.collect{it[1]}
+        ADAPTERREMOVAL_PAIRED.out.settings.collect{it[1]},
+        ADAPTERREMOVAL_SINGLE.out.settings.collect{it[1]}
     )
 
     emit:

From d46ddd972c2fc2c3ce0e7fe03b3ad42a4821332a Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 5 Apr 2022 11:04:30 +0200
Subject: [PATCH 105/789] Expand tests and fix schema after review

---
 .github/workflows/ci.yml |  8 ++++++++
 conf/test.config         | 13 +++++++------
 nextflow.config          |  2 +-
 nextflow_schema.json     |  3 ++-
 4 files changed, 18 insertions(+), 8 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index b8975b5..79148f0 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -29,8 +29,16 @@ jobs:
           - NXF_VER: ""
             NXF_EDGE: "1"
         parameters:
+          - "--longread_clip false"
+          - "--shortread_clip false"
           - "--shortread_clipmerge_tool fastp"
+          - "--shortread_clipmerge_tool fastp --shortread_clipmerge_mergepairs --shortread_clipmerge_excludeunmerged"
+          - "--shortread_clipmerge_tool fastp --shortread_clipmerge_mergepairs"
           - "--shortread_clipmerge_tool adapterremoval"
+          - "--shortread_clipmerge_tool adapterremoval --shortread_clipmerge_mergepairs --shortread_clipmerge_excludeunmerged"
+          - "--shortread_clipmerge_tool adapterremoval --shortread_clipmerge_mergepairs"
+          - "--shortread_complexityfilter_tool bbduk"
+          - "--shortread_complexityfilter_tool prinseq"
 
     steps:
       - name: Check out pipeline code
diff --git a/conf/test.config b/conf/test.config
index ff92fe7..bdad2c1 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -22,11 +22,12 @@ params {
     // Input data
     // TODO nf-core: Specify the paths to your test data on nf-core/test-datasets
     // TODO nf-core: Give any required params for the test so that command line flags are not needed
-    input               = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
-    databases           = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
-    run_kraken2         = true
-    run_malt            = true
-    run_metaphlan3      = true
-    shortread_clipmerge = true
+    input                         = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
+    databases                     = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
+    run_kraken2                   = true
+    run_malt                      = true
+    run_metaphlan3                = true
+    shortread_clipmerge           = true
+    longread_clip                 = false
     shortread_complexityfilter    = true
 }
diff --git a/nextflow.config b/nextflow.config
index cd81f08..e6d6307 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -51,7 +51,7 @@ params {
     max_cpus                   = 16
     max_time                   = '240.h'
 
-    // Databaess
+    // Databases
     databases = null
 
     // FASTQ preprocessing
diff --git a/nextflow_schema.json b/nextflow_schema.json
index bec9ea4..6f6125e 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -328,7 +328,8 @@
         },
         "shortread_complexityfilter_prinseqplusplus_mode": {
             "type": "string",
-            "default": "entropy"
+            "default": "entropy",
+            "enum": ["entropy", "dust"]
         },
         "shortread_complexityfilter_prinseqplusplus_dustscore": {
             "type": "number",

From 59b2088aa183a58523f712ec5ee85cbdab8e1647 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Tue, 5 Apr 2022 11:16:43 +0200
Subject: [PATCH 106/789] style: apply prettier

---
 modules.json | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules.json b/modules.json
index 51f13ea..becb501 100644
--- a/modules.json
+++ b/modules.json
@@ -38,4 +38,4 @@
             }
         }
     }
-}
\ No newline at end of file
+}

From 39e5e802c7af4e7e36927afa471801ff3b8aab6e Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Tue, 5 Apr 2022 11:29:39 +0200
Subject: [PATCH 107/789] refactor: make code more explicit, add comment

---
 subworkflows/local/shortread_adapterremoval.nf | 4 +++-
 1 file changed, 3 insertions(+), 1 deletion(-)

diff --git a/subworkflows/local/shortread_adapterremoval.nf b/subworkflows/local/shortread_adapterremoval.nf
index 8c02f6f..906a33f 100644
--- a/subworkflows/local/shortread_adapterremoval.nf
+++ b/subworkflows/local/shortread_adapterremoval.nf
@@ -39,7 +39,9 @@ workflow SHORTREAD_ADAPTERREMOVAL {
                 ADAPTERREMOVAL_PAIRED.out.paired_truncated
             )
             .groupTuple()
-            .map { [it.head(), it.tail().flatten()] }
+            // Paired-end reads cause a nested tuple during grouping.
+            // We want to present a flat list of files to `CAT_FASTQ`.
+            .map { meta, fastq -> [meta, fastq.flatten()] }
 
         CAT_FASTQ(ch_concat_fastq)
 

From 245a4d1f5dae7e29ec76aa1265154edbbe3eb3db Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 5 Apr 2022 13:08:44 +0200
Subject: [PATCH 108/789] Fix MQC staging and remove debugging dump

---
 subworkflows/local/shortread_adapterremoval.nf |  4 ++--
 workflows/taxprofiler.nf                       | 13 ++++++-------
 2 files changed, 8 insertions(+), 9 deletions(-)

diff --git a/subworkflows/local/shortread_adapterremoval.nf b/subworkflows/local/shortread_adapterremoval.nf
index 9d49b10..473a05f 100644
--- a/subworkflows/local/shortread_adapterremoval.nf
+++ b/subworkflows/local/shortread_adapterremoval.nf
@@ -117,8 +117,8 @@ workflow SHORTREAD_ADAPTERREMOVAL {
     ch_versions = ch_versions.mix( ADAPTERREMOVAL_SINGLE.out.versions.first() )
     ch_versions = ch_versions.mix( ADAPTERREMOVAL_PAIRED.out.versions.first() )
     ch_multiqc_files = ch_multiqc_files.mix(
-        ADAPTERREMOVAL_PAIRED.out.log.collect{it[1]},
-        ADAPTERREMOVAL_SINGLE.out.log.collect{it[1]}
+        ADAPTERREMOVAL_PAIRED.out.log,
+        ADAPTERREMOVAL_SINGLE.out.log
     )
 
     emit:
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index ddd5914..eb2b461 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -171,7 +171,6 @@ workflow TAXPROFILER {
                             }
 
     ch_input_for_metaphlan3 = ch_input_for_profiling.metaphlan3
-                            .dump(tag: "input_metaphlan3")
                             .multiMap {
                                 it ->
                                     reads: [it[0] + it[2], it[1]]
@@ -213,34 +212,34 @@ workflow TAXPROFILER {
     ch_multiqc_files = ch_multiqc_files.mix(FASTQC.out.zip.collect{it[1]}.ifEmpty([]))
 
     if (params.shortread_clipmerge) {
-        ch_multiqc_files = ch_multiqc_files.mix( SHORTREAD_PREPROCESSING.out.mqc.collect{it[1]}.ifEmpty([]) )
+        ch_multiqc_files = ch_multiqc_files.mix( SHORTREAD_PREPROCESSING.out.mqc.collect{it[1]}.ifEmpty([]).dump(tag: "clipmerge") )
         ch_versions = ch_versions.mix( SHORTREAD_PREPROCESSING.out.versions )
     }
 
     if (params.longread_clip) {
-        ch_multiqc_files = ch_multiqc_files.mix( LONGREAD_PREPROCESSING.out.mqc.collect{it[1]}.ifEmpty([]) )
+        ch_multiqc_files = ch_multiqc_files.mix( LONGREAD_PREPROCESSING.out.mqc.collect{it[1]}.ifEmpty([]).dump(tag: "clip") )
         ch_versions = ch_versions.mix( LONGREAD_PREPROCESSING.out.versions )
     }
 
     if (params.shortread_complexityfilter){
-        ch_multiqc_files = ch_multiqc_files.mix( SHORTREAD_COMPLEXITYFILTERING.out.mqc.collect{it[1]}.ifEmpty([]) )
+        ch_multiqc_files = ch_multiqc_files.mix( SHORTREAD_COMPLEXITYFILTERING.out.mqc.collect{it[1]}.ifEmpty([]).dump(tag: "complex") )
         ch_versions = ch_versions.mix( SHORTREAD_COMPLEXITYFILTERING.out.versions )
     }
 
     if (params.run_kraken2) {
-        ch_multiqc_files = ch_multiqc_files.mix( KRAKEN2_KRAKEN2.out.txt.collect{it[1]}.ifEmpty([]) )
+        ch_multiqc_files = ch_multiqc_files.mix( KRAKEN2_KRAKEN2.out.txt.collect{it[1]}.ifEmpty([]).dump(tag: "kraken") )
         ch_versions = ch_versions.mix( KRAKEN2_KRAKEN2.out.versions.first() )
     }
 
     if (params.run_malt) {
-        ch_multiqc_files = ch_multiqc_files.mix( MALT_RUN.out.log.collect{it[1]}.ifEmpty([]) )
+        ch_multiqc_files = ch_multiqc_files.mix( MALT_RUN.out.log.collect{it[1]}.ifEmpty([]).dump(tag: "malt") )
         ch_versions = ch_versions.mix( MALT_RUN.out.versions.first() )
     }
 
     // TODO Versions for Karken/MALT not report?
     // TODO create multiQC module for metaphlan
     MULTIQC (
-        ch_multiqc_files.collect()
+        ch_multiqc_files.collect().dump(tag: "input_to_mqc")
     )
     multiqc_report = MULTIQC.out.report.toList()
     ch_versions    = ch_versions.mix(MULTIQC.out.versions)

From 5b9355725dea7af56745a28e6807ae5768798e8b Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 5 Apr 2022 13:14:06 +0200
Subject: [PATCH 109/789] Whoops

---
 workflows/taxprofiler.nf | 14 +++++++-------
 1 file changed, 7 insertions(+), 7 deletions(-)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index eb2b461..8dfe996 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -17,7 +17,7 @@ for (param in checkPathParamList) { if (param) { file(param, checkIfExists: true
 // Check mandatory parameters
 if (params.input    ) { ch_input     = file(params.input)     } else { exit 1, 'Input samplesheet not specified!' }
 if (params.databases) { ch_databases = file(params.databases) } else { exit 1, 'Input database sheet not specified!' }
-if (params.shortread_clipmerge_mergepairs && params.run_malt ) log.warn "[nf-core/taxprofiler] warning: MALT does not except uncollapsed paired-reads. Pairs will be profiled as separate files."
+if (params.shortread_clipmerge_mergepairs && params.run_malt ) log.warn "[nf-core/taxprofiler] warning: MALT does not accept uncollapsed paired-reads. Pairs will be profiled as separate files."
 if (params.shortread_clipmerge_excludeunmerged && !params.shortread_clipmerge_mergepairs) exit 1, "[nf-core/taxprofiler] error: cannot include unmerged reads when merging not turned on. Please specify --shortread_clipmerge_mergepairs"
 
 /*
@@ -212,34 +212,34 @@ workflow TAXPROFILER {
     ch_multiqc_files = ch_multiqc_files.mix(FASTQC.out.zip.collect{it[1]}.ifEmpty([]))
 
     if (params.shortread_clipmerge) {
-        ch_multiqc_files = ch_multiqc_files.mix( SHORTREAD_PREPROCESSING.out.mqc.collect{it[1]}.ifEmpty([]).dump(tag: "clipmerge") )
+        ch_multiqc_files = ch_multiqc_files.mix( SHORTREAD_PREPROCESSING.out.mqc.collect{it[1]}.ifEmpty([]) )
         ch_versions = ch_versions.mix( SHORTREAD_PREPROCESSING.out.versions )
     }
 
     if (params.longread_clip) {
-        ch_multiqc_files = ch_multiqc_files.mix( LONGREAD_PREPROCESSING.out.mqc.collect{it[1]}.ifEmpty([]).dump(tag: "clip") )
+        ch_multiqc_files = ch_multiqc_files.mix( LONGREAD_PREPROCESSING.out.mqc.collect{it[1]}.ifEmpty([]) )
         ch_versions = ch_versions.mix( LONGREAD_PREPROCESSING.out.versions )
     }
 
     if (params.shortread_complexityfilter){
-        ch_multiqc_files = ch_multiqc_files.mix( SHORTREAD_COMPLEXITYFILTERING.out.mqc.collect{it[1]}.ifEmpty([]).dump(tag: "complex") )
+        ch_multiqc_files = ch_multiqc_files.mix( SHORTREAD_COMPLEXITYFILTERING.out.mqc.collect{it[1]}.ifEmpty([])  )
         ch_versions = ch_versions.mix( SHORTREAD_COMPLEXITYFILTERING.out.versions )
     }
 
     if (params.run_kraken2) {
-        ch_multiqc_files = ch_multiqc_files.mix( KRAKEN2_KRAKEN2.out.txt.collect{it[1]}.ifEmpty([]).dump(tag: "kraken") )
+        ch_multiqc_files = ch_multiqc_files.mix( KRAKEN2_KRAKEN2.out.txt.collect{it[1]}.ifEmpty([])  )
         ch_versions = ch_versions.mix( KRAKEN2_KRAKEN2.out.versions.first() )
     }
 
     if (params.run_malt) {
-        ch_multiqc_files = ch_multiqc_files.mix( MALT_RUN.out.log.collect{it[1]}.ifEmpty([]).dump(tag: "malt") )
+        ch_multiqc_files = ch_multiqc_files.mix( MALT_RUN.out.log.collect{it[1]}.ifEmpty([])  )
         ch_versions = ch_versions.mix( MALT_RUN.out.versions.first() )
     }
 
     // TODO Versions for Karken/MALT not report?
     // TODO create multiQC module for metaphlan
     MULTIQC (
-        ch_multiqc_files.collect().dump(tag: "input_to_mqc")
+        ch_multiqc_files.collect()
     )
     multiqc_report = MULTIQC.out.report.toList()
     ch_versions    = ch_versions.mix(MULTIQC.out.versions)

From 98f082d7b6df9e7ef8da41b98bafab63770d3582 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 5 Apr 2022 13:17:54 +0200
Subject: [PATCH 110/789] Fix mistake in previous upstream merge with AR2
 output channel for settings file

---
 subworkflows/local/shortread_adapterremoval.nf | 5 +++--
 workflows/taxprofiler.nf                       | 2 +-
 2 files changed, 4 insertions(+), 3 deletions(-)

diff --git a/subworkflows/local/shortread_adapterremoval.nf b/subworkflows/local/shortread_adapterremoval.nf
index 6512596..bfed76a 100644
--- a/subworkflows/local/shortread_adapterremoval.nf
+++ b/subworkflows/local/shortread_adapterremoval.nf
@@ -75,9 +75,10 @@ workflow SHORTREAD_ADAPTERREMOVAL {
 
     ch_versions = ch_versions.mix( ADAPTERREMOVAL_SINGLE.out.versions.first() )
     ch_versions = ch_versions.mix( ADAPTERREMOVAL_PAIRED.out.versions.first() )
+
     ch_multiqc_files = ch_multiqc_files.mix(
-        ADAPTERREMOVAL_PAIRED.out.log,
-        ADAPTERREMOVAL_SINGLE.out.log
+        ADAPTERREMOVAL_PAIRED.out.settings,
+        ADAPTERREMOVAL_SINGLE.out.settings
     )
 
     emit:
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 8dfe996..3b08402 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -222,7 +222,7 @@ workflow TAXPROFILER {
     }
 
     if (params.shortread_complexityfilter){
-        ch_multiqc_files = ch_multiqc_files.mix( SHORTREAD_COMPLEXITYFILTERING.out.mqc.collect{it[1]}.ifEmpty([])  )
+        ch_multiqc_files = ch_multiqc_files.mix( SHORTREAD_COMPLEXITYFILTERING.out.mqc.collect{it[1]}.ifEmpty([]) )
         ch_versions = ch_versions.mix( SHORTREAD_COMPLEXITYFILTERING.out.versions )
     }
 

From 82aa89ad63d8769989b533da4695dc9387d81355 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 5 Apr 2022 13:55:11 +0200
Subject: [PATCH 111/789] re add missing switch meta of merged reads to true

---
 subworkflows/local/shortread_adapterremoval.nf | 13 +++++++++++--
 1 file changed, 11 insertions(+), 2 deletions(-)

diff --git a/subworkflows/local/shortread_adapterremoval.nf b/subworkflows/local/shortread_adapterremoval.nf
index bfed76a..b573be9 100644
--- a/subworkflows/local/shortread_adapterremoval.nf
+++ b/subworkflows/local/shortread_adapterremoval.nf
@@ -38,11 +38,17 @@ workflow SHORTREAD_ADAPTERREMOVAL {
                 ADAPTERREMOVAL_PAIRED.out.singles_truncated,
                 ADAPTERREMOVAL_PAIRED.out.paired_truncated
             )
+            .map { meta, reads ->
+                def meta_new = meta.clone()
+                meta_new.single_end = true
+                [meta_new, reads]
+            }
             .groupTuple()
             // Paired-end reads cause a nested tuple during grouping.
             // We want to present a flat list of files to `CAT_FASTQ`.
             .map { meta, fastq -> [meta, fastq.flatten()] }
 
+
         CAT_FASTQ(ch_concat_fastq)
 
         ch_adapterremoval_reads_prepped = CAT_FASTQ.out.reads
@@ -56,10 +62,13 @@ workflow SHORTREAD_ADAPTERREMOVAL {
                 ADAPTERREMOVAL_PAIRED.out.collapsed_truncated
             )
             .map { meta, reads ->
-                meta.single_end = true
-                [meta, reads]
+                def meta_new = meta.clone()
+                meta_new.single_end = true
+                [meta_new, reads]
             }
             .groupTuple()
+            .map { meta, fastq -> [meta, fastq.flatten()] }
+
 
         CAT_FASTQ(ch_concat_fastq)
 

From c40a9a00113c3e178bf20a4f1e0870d0994d9383 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Tue, 5 Apr 2022 12:13:45 +0200
Subject: [PATCH 112/789] refactor: avoid publishing unpacked databases

---
 conf/modules.config | 6 +-----
 1 file changed, 1 insertion(+), 5 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 2a8789f..22db8d0 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -35,11 +35,7 @@ process {
     }
 
     withName: UNTAR {
-        publishDir = [
-            path: { "${params.outdir}/databases" },
-            mode: params.publish_dir_mode,
-            saveAs: { filename -> filename.equals('versions.yml') ? null : filename }
-        ]
+        publishDir = null
     }
 
     withName: FASTQC {

From af12435fa5e3adf240d48bf9f764a063c62593b8 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Tue, 5 Apr 2022 12:16:26 +0200
Subject: [PATCH 113/789] fix: use parameter for publish mode everywhere

---
 conf/modules.config | 18 +++++++++---------
 1 file changed, 9 insertions(+), 9 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 22db8d0..a910b8e 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -43,7 +43,7 @@ process {
         ext.prefix = { "${meta.id}_${meta.run_accession}_raw" }
         publishDir = [
             path: { "${params.outdir}/fastqc/raw" },
-            mode: 'copy',
+            mode: params.publish_dir_mode,
             pattern: '*.html'
         ]
     }
@@ -53,7 +53,7 @@ process {
         ext.prefix = { "${meta.id}_${meta.run_accession}_processed" }
         publishDir = [
             path: { "${params.outdir}/fastqc/processed" },
-            mode: 'copy',
+            mode: params.publish_dir_mode,
             pattern: '*.html'
         ]
     }
@@ -69,7 +69,7 @@ process {
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [
             path: { "${params.outdir}/fastp" },
-            mode: 'copy',
+            mode: params.publish_dir_mode,
             pattern: '*.fastq.gz'
         ]
     }
@@ -88,7 +88,7 @@ process {
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [
             path: { "${params.outdir}/fastp" },
-            mode: 'copy',
+            mode: params.publish_dir_mode,
             pattern: '*.fastq.gz'
         ]
     }
@@ -104,7 +104,7 @@ process {
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [
             path: { "${params.outdir}/adapterremoval" },
-            mode: 'copy',
+            mode: params.publish_dir_mode,
             pattern: '*.fastq.gz'
         ]
     }
@@ -123,7 +123,7 @@ process {
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [
             path: { "${params.outdir}/adapterremoval" },
-            mode: 'copy',
+            mode: params.publish_dir_mode,
             pattern: '*.fastq.gz'
         ]
     }
@@ -132,7 +132,7 @@ process {
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [
             path: { "${params.outdir}/porechop" },
-            mode: 'copy',
+            mode: params.publish_dir_mode,
             pattern: '*.fastq.gz'
         ]
     }
@@ -169,7 +169,7 @@ process {
         ext.prefix = { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
             path: { "${params.outdir}/malt/${meta.db_name}" },
-            mode: 'copy',
+            mode: params.publish_dir_mode,
             pattern: '*.{rma6,tab,text,sam,log}'
         ]
     }
@@ -179,7 +179,7 @@ process {
         ext.prefix = { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
             path: { "${params.outdir}/kraken2/${meta.db_name}" },
-            mode: 'copy',
+            mode: params.publish_dir_mode,
             pattern: '*.{fastq.gz,txt}'
         ]
     }

From 8827b143a22b07c21c7cbe5776fb112015f5ae8b Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Tue, 5 Apr 2022 12:30:06 +0200
Subject: [PATCH 114/789] fix: disable publishing correctly

---
 conf/modules.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/conf/modules.config b/conf/modules.config
index a910b8e..ce9597b 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -35,7 +35,7 @@ process {
     }
 
     withName: UNTAR {
-        publishDir = null
+        publishDir = [enabled: false]
     }
 
     withName: FASTQC {

From 018b9a8ea60afd0c5d123e4420fdccaecafbc9f7 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Wed, 6 Apr 2022 10:21:43 +0200
Subject: [PATCH 115/789] refactor: do not generally publish output

---
 conf/modules.config | 6 ------
 1 file changed, 6 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index ce9597b..f9cfe3b 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -12,12 +12,6 @@
 
 process {
 
-    publishDir = [
-        path: { "${params.outdir}/${task.process.tokenize(':')[-1].tokenize('_')[0].toLowerCase()}" },
-        mode: params.publish_dir_mode,
-        saveAs: { filename -> filename.equals('versions.yml') ? null : filename }
-    ]
-
     withName: SAMPLESHEET_CHECK {
         publishDir = [
             path: { "${params.outdir}/pipeline_info" },

From 7ab3aa546b8e1d0388981757d259284bf67f5fc8 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Wed, 6 Apr 2022 10:27:11 +0200
Subject: [PATCH 116/789] refactor: use flags to publish reads

---
 conf/modules.config  | 25 ++++++++++++++-----------
 nextflow.config      |  2 ++
 nextflow_schema.json |  8 ++++++++
 3 files changed, 24 insertions(+), 11 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index f9cfe3b..b59850f 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -28,10 +28,6 @@ process {
         ]
     }
 
-    withName: UNTAR {
-        publishDir = [enabled: false]
-    }
-
     withName: FASTQC {
         ext.args = '--quiet'
         ext.prefix = { "${meta.id}_${meta.run_accession}_raw" }
@@ -64,7 +60,8 @@ process {
         publishDir = [
             path: { "${params.outdir}/fastp" },
             mode: params.publish_dir_mode,
-            pattern: '*.fastq.gz'
+            pattern: '*.fastq.gz',
+            enabled: params.save_preprocessed_reads
         ]
     }
 
@@ -83,7 +80,8 @@ process {
         publishDir = [
             path: { "${params.outdir}/fastp" },
             mode: params.publish_dir_mode,
-            pattern: '*.fastq.gz'
+            pattern: '*.fastq.gz',
+            enabled: params.save_preprocessed_reads
         ]
     }
 
@@ -99,7 +97,8 @@ process {
         publishDir = [
             path: { "${params.outdir}/adapterremoval" },
             mode: params.publish_dir_mode,
-            pattern: '*.fastq.gz'
+            pattern: '*.fastq.gz',
+            enabled: params.save_preprocessed_reads
         ]
     }
 
@@ -118,7 +117,8 @@ process {
         publishDir = [
             path: { "${params.outdir}/adapterremoval" },
             mode: params.publish_dir_mode,
-            pattern: '*.fastq.gz'
+            pattern: '*.fastq.gz',
+            enabled: params.save_preprocessed_reads
         ]
     }
 
@@ -127,7 +127,8 @@ process {
         publishDir = [
             path: { "${params.outdir}/porechop" },
             mode: params.publish_dir_mode,
-            pattern: '*.fastq.gz'
+            pattern: '*.fastq.gz',
+            enabled: params.save_preprocessed_reads
         ]
     }
 
@@ -141,7 +142,8 @@ process {
         publishDir = [
             path: { "${params.outdir}/bbduk/" },
             mode: params.publish_dir_mode,
-            pattern: '*.{fastq.gz,log}'
+            pattern: '*.{fastq.gz,log}',
+            enabled: params.save_complexityfiltered_reads
         ]
     }
 
@@ -154,7 +156,8 @@ process {
         publishDir = [
             path: { "${params.outdir}/prinseqplusplus/" },
             mode: params.publish_dir_mode,
-            pattern: '*{_good_out.fastq.gz,_good_out_R1.fastq.gz,_good_out_R2.fastq.gz,log}'
+            pattern: '*{_good_out.fastq.gz,_good_out_R1.fastq.gz,_good_out_R2.fastq.gz,log}',
+            enabled: params.save_complexityfiltered_reads
         ]
     }
 
diff --git a/nextflow.config b/nextflow.config
index e6d6307..19cc823 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -64,6 +64,7 @@ params {
     shortread_clipmerge_adapter2            = null
     shortread_clipmerge_minlength           = 15
     longread_clip                           = false
+    save_preprocessed_reads                 = false
 
     // Complexity filtering
     shortread_complexityfilter                           = false
@@ -73,6 +74,7 @@ params {
     shortread_complexityfilter_bbduk_mask                = false
     shortread_complexityfilter_prinseqplusplus_mode      = 'entropy'
     shortread_complexityfilter_prinseqplusplus_dustscore = 0.5
+    save_complexityfiltered_reads                        = false
 
 
     // MALT
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 6f6125e..6858409 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -308,6 +308,10 @@
             "type": "integer",
             "default": 15
         },
+        "save_preprocessed_reads": {
+            "type": "boolean",
+            "default": false
+        },
         "shortread_complexityfilter_tool": {
             "type": "string",
             "default": "bbduk"
@@ -334,6 +338,10 @@
         "shortread_complexityfilter_prinseqplusplus_dustscore": {
             "type": "number",
             "default": 0.5
+        },
+        "save_complexityfiltered_reads": {
+            "type": "boolean",
+            "default": false
         }
     }
 }

From 26779a4420f5d71d55a7bb99ff85ee1863740401 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Thu, 7 Apr 2022 16:27:19 +0200
Subject: [PATCH 117/789] Remove db_name from nextflow.config

---
 conf/test.config     | 4 ++--
 nextflow.config      | 1 -
 nextflow_schema.json | 7 +++++--
 3 files changed, 7 insertions(+), 5 deletions(-)

diff --git a/conf/test.config b/conf/test.config
index 6e82300..d392306 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -25,10 +25,10 @@ params {
     input                         = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
     databases                     = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
     run_kraken2                   = true
-    run_malt                      = true
+    run_malt                      = false
     run_metaphlan3                = true
     run_centrifuge                = true
     shortread_clipmerge           = true
     longread_clip                 = false
-    shortread_complexityfilter    = true
+    shortread_complexityfilter    = false
 }
diff --git a/nextflow.config b/nextflow.config
index 37f886f..b4a8d91 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -86,7 +86,6 @@ params {
 
     // centrifuge
     run_centrifuge             = false
-    centrifuge_db_name         = 'minigut_cf'
     centrifuge_save_unaligned  = false
     centrifuge_save_aligned    = false
     centrifuge_sam_format      = false
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 2ed80ed..23eb83b 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -358,7 +358,10 @@
         "shortread_complexityfilter_prinseqplusplus_mode": {
             "type": "string",
             "default": "entropy",
-            "enum": ["entropy", "dust"]
+            "enum": [
+                "entropy",
+                "dust"
+            ]
         },
         "shortread_complexityfilter_prinseqplusplus_dustscore": {
             "type": "number",
@@ -369,4 +372,4 @@
             "default": false
         }
     }
-}
+}
\ No newline at end of file

From 3d45ac57aead82baa98a8f0ee8aa668775bf4021 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Thu, 7 Apr 2022 16:42:22 +0200
Subject: [PATCH 118/789] Prettier

---
 modules.json         |  2 +-
 nextflow_schema.json | 26 +++++---------------------
 2 files changed, 6 insertions(+), 22 deletions(-)

diff --git a/modules.json b/modules.json
index 5abebf6..7fbc65c 100644
--- a/modules.json
+++ b/modules.json
@@ -47,4 +47,4 @@
             }
         }
     }
-}
\ No newline at end of file
+}
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 23eb83b..2b115eb 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,10 +10,7 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": [
-                "input",
-                "outdir"
-            ],
+            "required": ["input", "outdir"],
             "properties": {
                 "input": {
                     "type": "string",
@@ -176,14 +173,7 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": [
-                        "symlink",
-                        "rellink",
-                        "link",
-                        "copy",
-                        "copyNoFollow",
-                        "move"
-                    ],
+                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -310,10 +300,7 @@
         "shortread_clipmerge_tool": {
             "type": "string",
             "default": "fastp",
-            "enum": [
-                "fastp",
-                "adapterremoval"
-            ]
+            "enum": ["fastp", "adapterremoval"]
         },
         "shortread_clipmerge_skipadaptertrim": {
             "type": "boolean"
@@ -358,10 +345,7 @@
         "shortread_complexityfilter_prinseqplusplus_mode": {
             "type": "string",
             "default": "entropy",
-            "enum": [
-                "entropy",
-                "dust"
-            ]
+            "enum": ["entropy", "dust"]
         },
         "shortread_complexityfilter_prinseqplusplus_dustscore": {
             "type": "number",
@@ -372,4 +356,4 @@
             "default": false
         }
     }
-}
\ No newline at end of file
+}

From 2dfe3b3cc1d3a08aace2f521e84fa2c9820c3d98 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Fri, 8 Apr 2022 10:00:04 +0200
Subject: [PATCH 119/789] Update conf/test.config

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 conf/test.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/conf/test.config b/conf/test.config
index d392306..270ad95 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -30,5 +30,5 @@ params {
     run_centrifuge                = true
     shortread_clipmerge           = true
     longread_clip                 = false
-    shortread_complexityfilter    = false
+    shortread_complexityfilter    = true
 }

From 48d28cf8d4ac889b80736c86b3ed97eb46554af2 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Fri, 8 Apr 2022 10:00:10 +0200
Subject: [PATCH 120/789] Update conf/test.config

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 conf/test.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/conf/test.config b/conf/test.config
index 270ad95..6e82300 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -25,7 +25,7 @@ params {
     input                         = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
     databases                     = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
     run_kraken2                   = true
-    run_malt                      = false
+    run_malt                      = true
     run_metaphlan3                = true
     run_centrifuge                = true
     shortread_clipmerge           = true

From fd5ebea9a697b7cc2e97cc2c056f131b64848bae Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Fri, 8 Apr 2022 10:57:58 +0200
Subject: [PATCH 121/789] Remove old centrifuge module

---
 modules.json                                  |  2 +-
 .../nf-core/modules/centrifuge/main.nf        | 63 ----------------
 .../nf-core/modules/centrifuge/meta.yml       | 73 -------------------
 3 files changed, 1 insertion(+), 137 deletions(-)
 delete mode 100644 modules/nf-core/modules/nf-core/modules/centrifuge/main.nf
 delete mode 100644 modules/nf-core/modules/nf-core/modules/centrifuge/meta.yml

diff --git a/modules.json b/modules.json
index 7fbc65c..5abebf6 100644
--- a/modules.json
+++ b/modules.json
@@ -47,4 +47,4 @@
             }
         }
     }
-}
+}
\ No newline at end of file
diff --git a/modules/nf-core/modules/nf-core/modules/centrifuge/main.nf b/modules/nf-core/modules/nf-core/modules/centrifuge/main.nf
deleted file mode 100644
index 7eb566d..0000000
--- a/modules/nf-core/modules/nf-core/modules/centrifuge/main.nf
+++ /dev/null
@@ -1,63 +0,0 @@
-process CENTRIFUGE {
-    tag "$meta.id"
-    label 'process_high'
-
-    conda (params.enable_conda ? "bioconda::centrifuge=1.0.4_beta" : null)
-    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/centrifuge:1.0.4_beta--h9a82719_6' :
-        'quay.io/biocontainers/centrifuge:1.0.4_beta--h9a82719_6' }"
-
-    input:
-    tuple val(meta), path(reads)
-    path db
-    val save_unaligned
-    val save_aligned
-    val sam_format
-
-    output:
-    tuple val(meta), path('*report.txt')                 , emit: report
-    tuple val(meta), path('*results.txt')                , emit: results
-    tuple val(meta), path('*kreport.txt')                , emit: kreport
-    tuple val(meta), path('*.sam')                       , optional: true, emit: sam
-    tuple val(meta), path('*.mapped.fastq{,.1,.2}.gz')   , optional: true, emit: fastq_mapped
-    tuple val(meta), path('*.unmapped.fastq{,.1,.2}.gz') , optional: true, emit: fastq_unmapped
-    path "versions.yml"                                  , emit: versions
-
-    when:
-    task.ext.when == null || task.ext.when
-
-    script:
-    def args = task.ext.args ?: ''
-    def prefix = task.ext.prefix ?: "${meta.id}"
-    def paired = meta.single_end ? "-U ${reads}" :  "-1 ${reads[0]} -2 ${reads[1]}"
-    def db_name = db.toString().replace(".tar.gz","")
-    def unaligned = ''
-    def aligned = ''
-    if (meta.single_end) {
-        unaligned = save_unaligned ? "--un-gz ${prefix}.unmapped.fastq.gz" : ''
-        aligned = save_aligned ? "--al-gz ${prefix}.mapped.fastq.gz" : ''
-    } else {
-        unaligned = save_unaligned ? "--un-conc-gz ${prefix}.unmapped.fastq.gz" : ''
-        aligned = save_aligned ? "--al-conc-gz ${prefix}.mapped.fastq.gz" : ''
-    }
-    def sam_output = sam_format ? "--out-fmt 'sam'" : ''
-    """
-    tar -xf $db
-    centrifuge \\
-        -x $db_name \\
-        -p $task.cpus \\
-        $paired \\
-        --report-file ${prefix}.report.txt \\
-        -S ${prefix}.results.txt \\
-        $unaligned \\
-        $aligned \\
-        $sam_output \\
-        $args
-    centrifuge-kreport -x $db_name ${prefix}.results.txt > ${prefix}.kreport.txt
-
-    cat <<-END_VERSIONS > versions.yml
-    "${task.process}":
-        centrifuge: \$( centrifuge --version  | sed -n 1p | sed 's/^.*centrifuge-class version //')
-    END_VERSIONS
-    """
-}
diff --git a/modules/nf-core/modules/nf-core/modules/centrifuge/meta.yml b/modules/nf-core/modules/nf-core/modules/centrifuge/meta.yml
deleted file mode 100644
index 3adf0e2..0000000
--- a/modules/nf-core/modules/nf-core/modules/centrifuge/meta.yml
+++ /dev/null
@@ -1,73 +0,0 @@
-name: centrifuge
-description: Classifies metagenomic sequence data
-keywords:
-  - classify
-  - metagenomics
-  - fastq
-  - db
-tools:
-  - centrifuge:
-      description: Centrifuge is a classifier for metagenomic sequences.
-      homepage: https://ccb.jhu.edu/software/centrifuge/
-      documentation: https://ccb.jhu.edu/software/centrifuge/manual.shtml
-      doi: 10.1101/gr.210641.116
-      licence: ["GPL v3"]
-input:
-  - meta:
-      type: map
-      description: |
-        Groovy Map containing sample information
-        e.g. [ id:'test', single_end:false ]
-  - reads:
-      type: file
-      description: |
-        List of input FastQ files of size 1 and 2 for single-end and paired-end data,
-        respectively.
-  - db:
-      type: directory
-      description: Centrifuge database in .tar.gz format
-      pattern: "*.tar.gz"
-  - save_unaligned:
-      type: value
-      description: If true unmapped fastq files are saved
-  - save_aligned:
-      type: value
-      description: If true mapped fastq files are saved
-output:
-  - meta:
-      type: map
-      description: |
-        Groovy Map containing sample information
-        e.g. [ id:'test', single_end:false ]
-  - report:
-      type: file
-      description: |
-        File containing a classification summary
-      pattern: "*.{report.txt}"
-  - results:
-      type: file
-      description: |
-        File containing classification results
-      pattern: "*.{results.txt}"
-  - kreport:
-      type: file
-      description: |
-        File containing kraken-style report from centrifuge
-        out files.
-      pattern: "*.{kreport.txt}"
-  - fastq_unmapped:
-      type: file
-      description: Unmapped fastq files
-      pattern: "*.unmapped.fastq.gz"
-  - fastq_mapped:
-      type: file
-      description: Mapped fastq files
-      pattern: "*.mapped.fastq.gz"
-  - versions:
-      type: file
-      description: File containing software versions
-      pattern: "versions.yml"
-authors:
-  - "@sofstam"
-  - "@jfy133"
-  - "@sateeshperi"

From 63bc597daf008a4de9ed5e34c0b8d682f349a34a Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Fri, 8 Apr 2022 11:01:45 +0200
Subject: [PATCH 122/789] Prettier

---
 modules.json | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules.json b/modules.json
index 5abebf6..7fbc65c 100644
--- a/modules.json
+++ b/modules.json
@@ -47,4 +47,4 @@
             }
         }
     }
-}
\ No newline at end of file
+}

From 7b08c49cd6cb6471384a26c1202733cad0fe58ae Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 8 Apr 2022 11:54:54 +0200
Subject: [PATCH 123/789] Re-add run merging and gonna let GHA see if it works
 >.>

---
 .github/workflows/ci.yml |  1 +
 nextflow.config          |  2 ++
 workflows/taxprofiler.nf | 25 +++++++++++++++++++++++--
 3 files changed, 26 insertions(+), 2 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 79148f0..7678645 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -39,6 +39,7 @@ jobs:
           - "--shortread_clipmerge_tool adapterremoval --shortread_clipmerge_mergepairs"
           - "--shortread_complexityfilter_tool bbduk"
           - "--shortread_complexityfilter_tool prinseq"
+          - "--run_merging"
 
     steps:
       - name: Check out pipeline code
diff --git a/nextflow.config b/nextflow.config
index 19cc823..1c69d36 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -76,6 +76,8 @@ params {
     shortread_complexityfilter_prinseqplusplus_dustscore = 0.5
     save_complexityfiltered_reads                        = false
 
+    // run merging
+    run_merging                = false
 
     // MALT
     run_malt                   = false
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 3b08402..61eda6e 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -125,13 +125,34 @@ workflow TAXPROFILER {
         ch_shortreads_filtered = ch_shortreads_preprocessed
     }
 
+    /*
+        STEP: Run merging
+    */
+
+    if ( params.run_merging ) {
+        ch_reads_for_cat = ch_shortreads_filtered
+            .mix( ch_longreads_preprocessed )
+            .map {
+                meta, reads ->
+                    def meta_new = meta.clone()
+                    meta_new['run_accession'].remove()
+                    [ meta_new, reads ]
+            }
+            .groupTuple()
+
+        ch_reads_runmerged = CAT_FASTQ ( ch_reads_for_cat )
+
+    } else {
+        ch_reads_runmerged = ch_shortreads_filtered
+            .mix( ch_longreads_preprocessed )
+    }
+
     /*
         COMBINE READS WITH POSSIBLE DATABASES
     */
 
     // e.g. output [DUMP: reads_plus_db] [['id':'2612', 'run_accession':'combined', 'instrument_platform':'ILLUMINA', 'single_end':1], <reads_path>/2612.merged.fastq.gz, ['tool':'malt', 'db_name':'mal95', 'db_params':'"-id 90"'], <db_path>/malt90]
-    ch_input_for_profiling = ch_shortreads_filtered
-            .mix( ch_longreads_preprocessed )
+    ch_input_for_profiling = ch_reads_runmerged
             .combine(DB_CHECK.out.dbs)
             .branch {
                 malt:    it[2]['tool'] == 'malt'

From 74c496f6af04e15e1625d7311791004a645b3a21 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 8 Apr 2022 11:58:16 +0200
Subject: [PATCH 124/789] Fix CAT_FASTQ output

---
 workflows/taxprofiler.nf | 7 +++++--
 1 file changed, 5 insertions(+), 2 deletions(-)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 61eda6e..2d0c17d 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -140,8 +140,7 @@ workflow TAXPROFILER {
             }
             .groupTuple()
 
-        ch_reads_runmerged = CAT_FASTQ ( ch_reads_for_cat )
-
+        ch_reads_runmerged = CAT_FASTQ ( ch_reads_for_cat ).reads
     } else {
         ch_reads_runmerged = ch_shortreads_filtered
             .mix( ch_longreads_preprocessed )
@@ -247,6 +246,10 @@ workflow TAXPROFILER {
         ch_versions = ch_versions.mix( SHORTREAD_COMPLEXITYFILTERING.out.versions )
     }
 
+    if (params.run_merging){
+        ch_versions = ch_versions.mix(CAT_FASTQ.out.versions)
+    }
+
     if (params.run_kraken2) {
         ch_multiqc_files = ch_multiqc_files.mix( KRAKEN2_KRAKEN2.out.txt.collect{it[1]}.ifEmpty([])  )
         ch_versions = ch_versions.mix( KRAKEN2_KRAKEN2.out.versions.first() )

From 4d726a87e98f56bf1a4e0d52259d9e83f89539ce Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 8 Apr 2022 12:01:07 +0200
Subject: [PATCH 125/789] Fix metadata removal

---
 workflows/taxprofiler.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 2d0c17d..33d9725 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -135,7 +135,7 @@ workflow TAXPROFILER {
             .map {
                 meta, reads ->
                     def meta_new = meta.clone()
-                    meta_new['run_accession'].remove()
+                    meta_new.remove('run_accession')
                     [ meta_new, reads ]
             }
             .groupTuple()

From d130a72d74899c3fd85db3c1c751b7b6848fd031 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 8 Apr 2022 13:09:23 +0200
Subject: [PATCH 126/789] Get this working

---
 .github/workflows/ci.yml              |  1 +
 conf/modules.config                   |  6 +++---
 subworkflows/local/shortread_fastp.nf |  4 ++--
 workflows/taxprofiler.nf              | 18 ++++++++++++++++--
 4 files changed, 22 insertions(+), 7 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 7678645..53423cb 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -40,6 +40,7 @@ jobs:
           - "--shortread_complexityfilter_tool bbduk"
           - "--shortread_complexityfilter_tool prinseq"
           - "--run_merging"
+          - "--run_merging --shortread_clipmerge_mergepairs"
 
     steps:
       - name: Check out pipeline code
diff --git a/conf/modules.config b/conf/modules.config
index b59850f..7602e3f 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -163,7 +163,7 @@ process {
 
     withName: MALT_RUN {
         ext.args = { "${meta.db_params}" }
-        ext.prefix = { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+        ext.prefix = if params.run_merging : { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
             path: { "${params.outdir}/malt/${meta.db_name}" },
             mode: params.publish_dir_mode,
@@ -173,7 +173,7 @@ process {
 
     withName: KRAKEN2_KRAKEN2 {
         ext.args = { "${meta.db_params}" }
-        ext.prefix = { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+        ext.prefix = if params.run_merging : { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
             path: { "${params.outdir}/kraken2/${meta.db_name}" },
             mode: params.publish_dir_mode,
@@ -183,7 +183,7 @@ process {
 
     withName: METAPHLAN3 {
         publishDir = [
-            path: { "${params.outdir}/metaphlan3/${meta.db_name}" },
+        ext.prefix = if params.run_merging : { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
             mode: params.publish_dir_mode,
             pattern: '*.{biom,txt}'
         ]
diff --git a/subworkflows/local/shortread_fastp.nf b/subworkflows/local/shortread_fastp.nf
index 18baf17..04057b1 100644
--- a/subworkflows/local/shortread_fastp.nf
+++ b/subworkflows/local/shortread_fastp.nf
@@ -28,8 +28,8 @@ workflow SHORTREAD_FASTP {
                                         .map {
                                             meta, reads ->
                                                 def meta_new = meta.clone()
-                                                meta_new['single_end'] = 1
-                                                [ meta_new, reads ]
+                                                meta_new['single_end'] = true
+                                                [ meta_new, reads.flatten() ]
                                         }
 
         ch_fastp_reads_prepped = ch_fastp_reads_prepped_pe.mix( FASTP_SINGLE.out.reads )
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 33d9725..e04d4d6 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -130,7 +130,8 @@ workflow TAXPROFILER {
     */
 
     if ( params.run_merging ) {
-        ch_reads_for_cat = ch_shortreads_filtered
+
+        ch_reads_for_cat_branch = ch_shortreads_filtered
             .mix( ch_longreads_preprocessed )
             .map {
                 meta, reads ->
@@ -139,8 +140,21 @@ workflow TAXPROFILER {
                     [ meta_new, reads ]
             }
             .groupTuple()
+            .map {
+                meta, reads ->
+                    [ meta, reads.flatten() ]
+            }
+            .branch {
+                // we can't concate files if there is not a second run, we branch
+                // here to separate them out, and mix after
+                cat: ( it[0]['single_end'] && it[1].size() > 1 ) || ( !it[0]['single_end'] && it[1].size() > 2 )
+                skip: true
+            }
+
+        ch_reads_for_cat_branch.cat.dump(tag: "for_catting")
+
+        ch_reads_runmerged = CAT_FASTQ ( ch_reads_for_cat_branch.cat ).reads.mix( ch_reads_for_cat_branch.skip )
 
-        ch_reads_runmerged = CAT_FASTQ ( ch_reads_for_cat ).reads
     } else {
         ch_reads_runmerged = ch_shortreads_filtered
             .mix( ch_longreads_preprocessed )

From ca011ccc5b363ea9d6c1eaf44713a9c09e471f39 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 8 Apr 2022 13:28:37 +0200
Subject: [PATCH 127/789] Fix cat_fastq naming logic?

---
 conf/modules.config      | 19 +++++++++++++++----
 nextflow.config          |  1 +
 nextflow_schema.json     | 38 +++++++++++++++++++++++++++++---------
 workflows/taxprofiler.nf |  4 ----
 4 files changed, 45 insertions(+), 17 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 7602e3f..97e9510 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -161,9 +161,19 @@ process {
         ]
     }
 
+    withName: CAT_FASTQ {
+        ext.prefix = { "${meta.id}-${meta.run_accession}" }
+        publishDir = [
+            path: { "${params.outdir}/run_merging/" },
+            mode: params.publish_dir_mode,
+            pattern: '*.fastq.gz',
+            enabled: params.save_runmerged_reads
+        ]
+    }
+
     withName: MALT_RUN {
         ext.args = { "${meta.db_params}" }
-        ext.prefix = if params.run_merging : { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+        ext.prefix = params.run_merging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
             path: { "${params.outdir}/malt/${meta.db_name}" },
             mode: params.publish_dir_mode,
@@ -173,7 +183,7 @@ process {
 
     withName: KRAKEN2_KRAKEN2 {
         ext.args = { "${meta.db_params}" }
-        ext.prefix = if params.run_merging : { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+        ext.prefix = params.run_merging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
             path: { "${params.outdir}/kraken2/${meta.db_name}" },
             mode: params.publish_dir_mode,
@@ -182,12 +192,13 @@ process {
     }
 
     withName: METAPHLAN3 {
+        ext.args = { "${meta.db_params}" }
+        ext.prefix = params.run_merging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
-        ext.prefix = if params.run_merging : { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+            path: { "${params.outdir}/metaphlan3/${meta.db_name}" },
             mode: params.publish_dir_mode,
             pattern: '*.{biom,txt}'
         ]
-        ext.prefix = { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
     }
 
     withName: CUSTOM_DUMPSOFTWAREVERSIONS {
diff --git a/nextflow.config b/nextflow.config
index 1c69d36..d969ed9 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -78,6 +78,7 @@ params {
 
     // run merging
     run_merging                = false
+    save_runmerged_reads       = false
 
     // MALT
     run_malt                   = false
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 6858409..0b4b4fb 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,7 +10,10 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["input", "outdir"],
+            "required": [
+                "input",
+                "outdir"
+            ],
             "properties": {
                 "input": {
                     "type": "string",
@@ -173,7 +176,14 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
+                    "enum": [
+                        "symlink",
+                        "rellink",
+                        "link",
+                        "copy",
+                        "copyNoFollow",
+                        "move"
+                    ],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -288,7 +298,10 @@
         "shortread_clipmerge_tool": {
             "type": "string",
             "default": "fastp",
-            "enum": ["fastp", "adapterremoval"]
+            "enum": [
+                "fastp",
+                "adapterremoval"
+            ]
         },
         "shortread_clipmerge_skipadaptertrim": {
             "type": "boolean"
@@ -309,8 +322,7 @@
             "default": 15
         },
         "save_preprocessed_reads": {
-            "type": "boolean",
-            "default": false
+            "type": "boolean"
         },
         "shortread_complexityfilter_tool": {
             "type": "string",
@@ -333,15 +345,23 @@
         "shortread_complexityfilter_prinseqplusplus_mode": {
             "type": "string",
             "default": "entropy",
-            "enum": ["entropy", "dust"]
+            "enum": [
+                "entropy",
+                "dust"
+            ]
         },
         "shortread_complexityfilter_prinseqplusplus_dustscore": {
             "type": "number",
             "default": 0.5
         },
         "save_complexityfiltered_reads": {
-            "type": "boolean",
-            "default": false
+            "type": "boolean"
+        },
+        "run_merging": {
+            "type": "boolean"
+        },
+        "save_runmerged_reads": {
+            "type": "boolean"
         }
     }
-}
+}
\ No newline at end of file
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index e04d4d6..bdb93ab 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -140,10 +140,6 @@ workflow TAXPROFILER {
                     [ meta_new, reads ]
             }
             .groupTuple()
-            .map {
-                meta, reads ->
-                    [ meta, reads.flatten() ]
-            }
             .branch {
                 // we can't concate files if there is not a second run, we branch
                 // here to separate them out, and mix after

From a634814d848a68252d81b231e34942f5fa616c83 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 8 Apr 2022 13:34:00 +0200
Subject: [PATCH 128/789] Formatting and fix fastp output

---
 nextflow_schema.json                          | 26 ++++---------------
 .../local/shortread_adapterremoval.nf         |  2 +-
 2 files changed, 6 insertions(+), 22 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 0b4b4fb..64836df 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,10 +10,7 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": [
-                "input",
-                "outdir"
-            ],
+            "required": ["input", "outdir"],
             "properties": {
                 "input": {
                     "type": "string",
@@ -176,14 +173,7 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": [
-                        "symlink",
-                        "rellink",
-                        "link",
-                        "copy",
-                        "copyNoFollow",
-                        "move"
-                    ],
+                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -298,10 +288,7 @@
         "shortread_clipmerge_tool": {
             "type": "string",
             "default": "fastp",
-            "enum": [
-                "fastp",
-                "adapterremoval"
-            ]
+            "enum": ["fastp", "adapterremoval"]
         },
         "shortread_clipmerge_skipadaptertrim": {
             "type": "boolean"
@@ -345,10 +332,7 @@
         "shortread_complexityfilter_prinseqplusplus_mode": {
             "type": "string",
             "default": "entropy",
-            "enum": [
-                "entropy",
-                "dust"
-            ]
+            "enum": ["entropy", "dust"]
         },
         "shortread_complexityfilter_prinseqplusplus_dustscore": {
             "type": "number",
@@ -364,4 +348,4 @@
             "type": "boolean"
         }
     }
-}
\ No newline at end of file
+}
diff --git a/subworkflows/local/shortread_adapterremoval.nf b/subworkflows/local/shortread_adapterremoval.nf
index b573be9..a7948e7 100644
--- a/subworkflows/local/shortread_adapterremoval.nf
+++ b/subworkflows/local/shortread_adapterremoval.nf
@@ -67,7 +67,7 @@ workflow SHORTREAD_ADAPTERREMOVAL {
                 [meta_new, reads]
             }
             .groupTuple()
-            .map { meta, fastq -> [meta, fastq.flatten()] }
+            .map { meta, fastq -> [meta, [ fastq ].flatten()] }
 
 
         CAT_FASTQ(ch_concat_fastq)

From 6c14f2b230a6c6df99e89c44ed8904cb0a5a7b59 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 8 Apr 2022 13:44:52 +0200
Subject: [PATCH 129/789] Remove the flattening?

---
 subworkflows/local/shortread_adapterremoval.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/shortread_adapterremoval.nf b/subworkflows/local/shortread_adapterremoval.nf
index a7948e7..735d3b8 100644
--- a/subworkflows/local/shortread_adapterremoval.nf
+++ b/subworkflows/local/shortread_adapterremoval.nf
@@ -67,7 +67,7 @@ workflow SHORTREAD_ADAPTERREMOVAL {
                 [meta_new, reads]
             }
             .groupTuple()
-            .map { meta, fastq -> [meta, [ fastq ].flatten()] }
+            .map { meta, fastq -> [meta, fastq] }
 
 
         CAT_FASTQ(ch_concat_fastq)

From 35cb6e042acf3fbe34c9664bebb9c27ef0d96179 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 8 Apr 2022 13:46:12 +0200
Subject: [PATCH 130/789] Flatten the right thing

---
 subworkflows/local/shortread_adapterremoval.nf | 2 +-
 subworkflows/local/shortread_fastp.nf          | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/subworkflows/local/shortread_adapterremoval.nf b/subworkflows/local/shortread_adapterremoval.nf
index 735d3b8..b573be9 100644
--- a/subworkflows/local/shortread_adapterremoval.nf
+++ b/subworkflows/local/shortread_adapterremoval.nf
@@ -67,7 +67,7 @@ workflow SHORTREAD_ADAPTERREMOVAL {
                 [meta_new, reads]
             }
             .groupTuple()
-            .map { meta, fastq -> [meta, fastq] }
+            .map { meta, fastq -> [meta, fastq.flatten()] }
 
 
         CAT_FASTQ(ch_concat_fastq)
diff --git a/subworkflows/local/shortread_fastp.nf b/subworkflows/local/shortread_fastp.nf
index 04057b1..4626691 100644
--- a/subworkflows/local/shortread_fastp.nf
+++ b/subworkflows/local/shortread_fastp.nf
@@ -29,7 +29,7 @@ workflow SHORTREAD_FASTP {
                                             meta, reads ->
                                                 def meta_new = meta.clone()
                                                 meta_new['single_end'] = true
-                                                [ meta_new, reads.flatten() ]
+                                                [ meta_new, [ reads ].flatten() ]
                                         }
 
         ch_fastp_reads_prepped = ch_fastp_reads_prepped_pe.mix( FASTP_SINGLE.out.reads )

From 8839fe22b8856fb1d69e11e2e1e0a4367cb97dc3 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 8 Apr 2022 20:02:22 +0200
Subject: [PATCH 131/789] Fix output tuple for reads

---
 workflows/taxprofiler.nf | 10 +++++++++-
 1 file changed, 9 insertions(+), 1 deletion(-)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index bdb93ab..7d5f60f 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -149,7 +149,15 @@ workflow TAXPROFILER {
 
         ch_reads_for_cat_branch.cat.dump(tag: "for_catting")
 
-        ch_reads_runmerged = CAT_FASTQ ( ch_reads_for_cat_branch.cat ).reads.mix( ch_reads_for_cat_branch.skip )
+        ch_reads_runmerged = CAT_FASTQ ( ch_reads_for_cat_branch.cat ).reads
+            .mix( ch_reads_for_cat_branch.skip )
+            .map {
+                meta, reads ->
+
+                [ meta, [ reads ].flatten() ]
+            }
+
+        ch_reads_runmerged.dump(tag: "ch_reads_runmerged" )
 
     } else {
         ch_reads_runmerged = ch_shortreads_filtered

From afb66e445fcb2f9c60f4152e1184f5f8600a843c Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 8 Apr 2022 21:36:59 +0200
Subject: [PATCH 132/789] Append pairment to ID at profiling to prevent
 multiqc-level filename crash

---
 workflows/taxprofiler.nf | 13 ++++++++-----
 1 file changed, 8 insertions(+), 5 deletions(-)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 7d5f60f..1da812d 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -147,8 +147,6 @@ workflow TAXPROFILER {
                 skip: true
             }
 
-        ch_reads_for_cat_branch.cat.dump(tag: "for_catting")
-
         ch_reads_runmerged = CAT_FASTQ ( ch_reads_for_cat_branch.cat ).reads
             .mix( ch_reads_for_cat_branch.skip )
             .map {
@@ -157,8 +155,6 @@ workflow TAXPROFILER {
                 [ meta, [ reads ].flatten() ]
             }
 
-        ch_reads_runmerged.dump(tag: "ch_reads_runmerged" )
-
     } else {
         ch_reads_runmerged = ch_shortreads_filtered
             .mix( ch_longreads_preprocessed )
@@ -168,8 +164,15 @@ workflow TAXPROFILER {
         COMBINE READS WITH POSSIBLE DATABASES
     */
 
-    // e.g. output [DUMP: reads_plus_db] [['id':'2612', 'run_accession':'combined', 'instrument_platform':'ILLUMINA', 'single_end':1], <reads_path>/2612.merged.fastq.gz, ['tool':'malt', 'db_name':'mal95', 'db_params':'"-id 90"'], <db_path>/malt90]
+    // e.g. output [DUMP: reads_plus_db] [['id':'2612', 'run_accession':'combined', 'instrument_platform':'ILLUMINA', 'single_end':1], [ <reads_path>/2612.merged.fastq.gz ], ['tool':'malt', 'db_name':'mal95', 'db_params':'"-id 90"'], <db_path>/malt90]
     ch_input_for_profiling = ch_reads_runmerged
+            .map {
+                meta, reads ->
+                    def meta_new = meta.clone()
+                    pairtype = meta_new['single_end'] ? '_se' : '_pe'
+                    meta_new['id'] =  meta_new['id'] + pairtype
+                    [meta_new, reads]
+            }
             .combine(DB_CHECK.out.dbs)
             .branch {
                 malt:    it[2]['tool'] == 'malt'

From ecf0eea4f99f0601124661557b41c5092d507ca6 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sun, 10 Apr 2022 06:43:30 +0200
Subject: [PATCH 133/789] Move profiling to subworkflow and standardise outputs

---
 conf/modules.config             |  20 +++---
 subworkflows/local/profiling.nf | 120 ++++++++++++++++++++++++++++++++
 workflows/taxprofiler.nf        |  97 ++------------------------
 3 files changed, 134 insertions(+), 103 deletions(-)
 create mode 100644 subworkflows/local/profiling.nf

diff --git a/conf/modules.config b/conf/modules.config
index de41e69..531bd5a 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -167,7 +167,7 @@ process {
         publishDir = [
             path: { "${params.outdir}/malt/${meta.db_name}" },
             mode: params.publish_dir_mode,
-            pattern: '*.{rma6,tab,text,sam,log}'
+            pattern: '*.{log}'
         ]
     }
 
@@ -177,7 +177,7 @@ process {
         publishDir = [
             path: { "${params.outdir}/kraken2/${meta.db_name}" },
             mode: params.publish_dir_mode,
-            pattern: '*.{fastq.gz,txt}'
+            pattern: '*.{txt}'
         ]
     }
 
@@ -190,22 +190,22 @@ process {
         ext.prefix = { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
     }
 
-    withName: CUSTOM_DUMPSOFTWAREVERSIONS {
+    withName: CENTRIFUGE_CENTRIFUGE {
         publishDir = [
-            path: { "${params.outdir}/pipeline_info" },
+            path: { "${params.outdir}/centrifuge/${meta.db_name}" },
             mode: params.publish_dir_mode,
-            pattern: '*_versions.yml'
+            pattern: '*.txt'
         ]
+        ext.args = { "${meta.db_params}" }
+        ext.prefix = { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
     }
 
-    withName: CENTRIFUGE_CENTRIFUGE {
+    withName: CUSTOM_DUMPSOFTWAREVERSIONS {
         publishDir = [
-            path: { "${params.outdir}/centrifuge/${meta.db_name}" },
+            path: { "${params.outdir}/pipeline_info" },
             mode: params.publish_dir_mode,
-            pattern: '*.{fastq.gz,txt}'
+            pattern: '*_versions.yml'
         ]
-        ext.args = { "${meta.db_params}" }
-        ext.prefix = { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
     }
 
 }
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
new file mode 100644
index 0000000..ac48d77
--- /dev/null
+++ b/subworkflows/local/profiling.nf
@@ -0,0 +1,120 @@
+//
+// Run profiling
+//
+
+include { MALT_RUN                    } from '../../modules/nf-core/modules/malt/run/main'
+include { KRAKEN2_KRAKEN2             } from '../../modules/nf-core/modules/kraken2/kraken2/main'
+include { CENTRIFUGE_CENTRIFUGE       } from '../../modules/nf-core/modules/centrifuge/centrifuge/main'
+include { METAPHLAN3                  } from '../../modules/nf-core/modules/metaphlan3/main'
+
+workflow PROFILING {
+    take:
+    shortreads // [ [ meta ], [ reads ] ]
+    longreads // [ [ meta ], [ reads ] ]
+    databases // [ [ meta ], path ]
+
+    main:
+    ch_versions       = Channel.empty()
+    ch_multiqc_files  = Channel.empty()
+
+/*
+        COMBINE READS WITH POSSIBLE DATABASES
+    */
+
+    // e.g. output [DUMP: reads_plus_db] [['id':'2612', 'run_accession':'combined', 'instrument_platform':'ILLUMINA', 'single_end':1], <reads_path>/2612.merged.fastq.gz, ['tool':'malt', 'db_name':'mal95', 'db_params':'"-id 90"'], <db_path>/malt90]
+    ch_input_for_profiling = shortreads
+            .mix( longreads )
+            .combine(databases)
+            .branch {
+                malt:    it[2]['tool'] == 'malt'
+                kraken2: it[2]['tool'] == 'kraken2'
+                metaphlan3: it[2]['tool'] == 'metaphlan3'
+                centrifuge: it[2]['tool'] == 'centrifuge'
+                unknown: true
+            }
+
+    /*
+        PREPARE PROFILER INPUT CHANNELS
+    */
+
+    // Each tool as a slightly different input structure and generally separate
+    // input channels for reads vs databases. We restructure the channel tuple
+    // for each tool and make liberal use of multiMap to keep reads/databases
+    // channel element order in sync with each other
+
+    // MALT: We groupTuple to have all samples in one channel for MALT as database
+    // loading takes a long time, so we only want to run it once per database
+    // TODO document somewhere we only accept illumina short reads for MALT?
+    ch_input_for_malt =  ch_input_for_profiling.malt
+                            .filter { it[0]['instrument_platform'] == 'ILLUMINA' }
+                            .map {
+                                it ->
+                                    def temp_meta =  [ id: it[2]['db_name']]  + it[2]
+                                    def db = it[3]
+                                    [ temp_meta, it[1], db ]
+                            }
+                            .groupTuple(by: [0,2])
+                            .multiMap {
+                                it ->
+                                    reads: [ it[0], it[1].flatten() ]
+                                    db: it[2]
+                            }
+
+    // All subsequent tools can easily run on a per-sample basis
+
+    ch_input_for_kraken2 =  ch_input_for_profiling.kraken2
+                            .multiMap {
+                                it ->
+                                    reads: [ it[0] + it[2], it[1] ]
+                                    db: it[3]
+                            }
+
+    ch_input_for_centrifuge =  ch_input_for_profiling.centrifuge
+                                .dump(tag: "input for centrifuge")
+                                .multiMap {
+                                    it ->
+                                        reads: [ it[0] + it[2], it[1] ]
+                                        db: it[3]
+                                }
+
+    ch_input_for_metaphlan3 = ch_input_for_profiling.metaphlan3
+                            .multiMap {
+                                it ->
+                                    reads: [it[0] + it[2], it[1]]
+                                    db: it[3]
+                            }
+
+    /*
+        RUN PROFILING
+    */
+
+    if ( params.run_malt ) {
+        MALT_RUN ( ch_input_for_malt.reads, params.malt_mode, ch_input_for_malt.db )
+        ch_multiqc_files = ch_multiqc_files.mix( MALT_RUN.out.log.collect{it[1]}.ifEmpty([])  )
+        ch_versions = ch_versions.mix( MALT_RUN.out.versions.first() )
+    }
+
+    if ( params.run_kraken2 ) {
+        KRAKEN2_KRAKEN2 ( ch_input_for_kraken2.reads, ch_input_for_kraken2.db  )
+        ch_multiqc_files = ch_multiqc_files.mix( KRAKEN2_KRAKEN2.out.txt.collect{it[1]}.ifEmpty([])  )
+        ch_versions = ch_versions.mix( KRAKEN2_KRAKEN2.out.versions.first() )
+    }
+
+    if ( params.run_centrifuge ) {
+        CENTRIFUGE_CENTRIFUGE ( ch_input_for_centrifuge.reads, ch_input_for_centrifuge.db, params.centrifuge_save_unaligned, params.centrifuge_save_aligned, params.centrifuge_sam_format  )
+        ch_versions = ch_versions.mix( CENTRIFUGE_CENTRIFUGE.out.versions.first() )
+    }
+
+    if ( params.run_metaphlan3 ) {
+        METAPHLAN3 ( ch_input_for_metaphlan3.reads, ch_input_for_metaphlan3.db )
+        ch_versions = ch_versions.mix( METAPHLAN3.out.versions.first() )
+    }
+
+
+    emit:
+    // TODO work out if there is enough standardisation of output to export as one?
+    //output    = ch_filtered_reads    // channel: [ val(meta), [ reads ] ]
+    versions = ch_versions          // channel: [ versions.yml ]
+    mqc      = ch_multiqc_files
+}
+
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 6b89c66..38afdda 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -44,6 +44,7 @@ include { DB_CHECK                      } from '../subworkflows/local/db_check'
 include { SHORTREAD_PREPROCESSING       } from '../subworkflows/local/shortread_preprocessing'
 include { LONGREAD_PREPROCESSING        } from '../subworkflows/local/longread_preprocessing'
 include { SHORTREAD_COMPLEXITYFILTERING } from '../subworkflows/local/shortread_complexityfiltering'
+include { PROFILING                     } from '../subworkflows/local/profiling'
 
 /*
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
@@ -59,10 +60,6 @@ include { MULTIQC                     } from '../modules/nf-core/modules/multiqc
 include { CUSTOM_DUMPSOFTWAREVERSIONS } from '../modules/nf-core/modules/custom/dumpsoftwareversions/main'
 
 include { CAT_FASTQ                   } from '../modules/nf-core/modules/cat/fastq/main'
-include { MALT_RUN                    } from '../modules/nf-core/modules/malt/run/main'
-include { KRAKEN2_KRAKEN2             } from '../modules/nf-core/modules/kraken2/kraken2/main'
-include { CENTRIFUGE_CENTRIFUGE       } from '../modules/nf-core/modules/centrifuge/centrifuge/main'
-include { METAPHLAN3                  } from '../modules/nf-core/modules/metaphlan3/main'
 
 /*
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
@@ -127,88 +124,10 @@ workflow TAXPROFILER {
     }
 
     /*
-        COMBINE READS WITH POSSIBLE DATABASES
+        SUBWORKFLOW: PROFILING
     */
 
-    // e.g. output [DUMP: reads_plus_db] [['id':'2612', 'run_accession':'combined', 'instrument_platform':'ILLUMINA', 'single_end':1], <reads_path>/2612.merged.fastq.gz, ['tool':'malt', 'db_name':'mal95', 'db_params':'"-id 90"'], <db_path>/malt90]
-    ch_input_for_profiling = ch_shortreads_filtered
-            .mix( ch_longreads_preprocessed )
-            .combine(DB_CHECK.out.dbs)
-            .branch {
-                malt:    it[2]['tool'] == 'malt'
-                kraken2: it[2]['tool'] == 'kraken2'
-                metaphlan3: it[2]['tool'] == 'metaphlan3'
-                centrifuge: it[2]['tool'] == 'centrifuge'
-                unknown: true
-            }
-
-    /*
-        PREPARE PROFILER INPUT CHANNELS
-    */
-
-    // We groupTuple to have all samples in one channel for MALT as database
-    // loading takes a long time, so we only want to run it once per database
-    // TODO document somewhere we only accept illumina short reads for MALT?
-    ch_input_for_malt =  ch_input_for_profiling.malt
-                            .filter { it[0]['instrument_platform'] == 'ILLUMINA' }
-                            .map {
-                                it ->
-                                    def temp_meta =  [ id: it[2]['db_name']]  + it[2]
-                                    def db = it[3]
-                                    [ temp_meta, it[1], db ]
-                            }
-                            .groupTuple(by: [0,2])
-                            .multiMap {
-                                it ->
-                                    reads: [ it[0], it[1].flatten() ]
-                                    db: it[2]
-                            }
-
-    // We can run Kraken2 one-by-one sample-wise
-    ch_input_for_kraken2 =  ch_input_for_profiling.kraken2
-                            .multiMap {
-                                it ->
-                                    reads: [ it[0] + it[2], it[1] ]
-                                    db: it[3]
-                            }
-
-    // We can run centrifuge one-by-one sample-wise
-    ch_input_for_centrifuge =  ch_input_for_profiling.centrifuge
-                               .dump(tag: "input for centrifuge")
-                               .multiMap {
-                                    it ->
-                                        reads: [ it[0] + it[2], it[1] ]
-                                        db: it[3]
-                                }
-
-    //
-    // RUN PROFILING
-    //
-    ch_input_for_metaphlan3 = ch_input_for_profiling.metaphlan3
-                            .multiMap {
-                                it ->
-                                    reads: [it[0] + it[2], it[1]]
-                                    db: it[3]
-                            }
-
-    /*
-        MODULE: RUN PROFILING
-    */
-    if ( params.run_malt ) {
-        MALT_RUN ( ch_input_for_malt.reads, params.malt_mode, ch_input_for_malt.db )
-    }
-
-    if ( params.run_kraken2 ) {
-        KRAKEN2_KRAKEN2 ( ch_input_for_kraken2.reads, ch_input_for_kraken2.db  )
-    }
-
-    if ( params.run_centrifuge ) {
-        CENTRIFUGE_CENTRIFUGE ( ch_input_for_centrifuge.reads, ch_input_for_centrifuge.db, params.centrifuge_save_unaligned, params.centrifuge_save_aligned, params.centrifuge_sam_format  )
-    }
-
-    if ( params.run_metaphlan3 ) {
-        METAPHLAN3 ( ch_input_for_metaphlan3.reads, ch_input_for_metaphlan3.db )
-    }
+    PROFILING ( ch_shortreads_filtered, ch_longreads_preprocessed, DB_CHECK.out.dbs )
 
     /*
         MODULE: MultiQC
@@ -244,17 +163,9 @@ workflow TAXPROFILER {
         ch_versions = ch_versions.mix( SHORTREAD_COMPLEXITYFILTERING.out.versions )
     }
 
-    if (params.run_kraken2) {
-        ch_multiqc_files = ch_multiqc_files.mix( KRAKEN2_KRAKEN2.out.txt.collect{it[1]}.ifEmpty([])  )
-        ch_versions = ch_versions.mix( KRAKEN2_KRAKEN2.out.versions.first() )
-    }
+    ch_multiqc_files = ch_multiqc_files.mix( PROFILING.out.mqc )
 
-    if (params.run_malt) {
-        ch_multiqc_files = ch_multiqc_files.mix( MALT_RUN.out.log.collect{it[1]}.ifEmpty([])  )
-        ch_versions = ch_versions.mix( MALT_RUN.out.versions.first() )
-    }
 
-    // TODO Versions for Karken/MALT not report?
     // TODO create multiQC module for metaphlan
     MULTIQC (
         ch_multiqc_files.collect()

From 082093f3dee43655b4911e5d81ba0eb0c693454c Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sun, 10 Apr 2022 06:44:10 +0200
Subject: [PATCH 134/789] Prettier

---
 conf/modules.config      | 8 ++++++++
 workflows/taxprofiler.nf | 1 -
 2 files changed, 8 insertions(+), 1 deletion(-)

diff --git a/conf/modules.config b/conf/modules.config
index 531bd5a..2f5710e 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -208,4 +208,12 @@ process {
         ]
     }
 
+    withName: MULTIQC {
+        publishDir = [
+            path: { "${params.outdir}/${task.process.tokenize(':')[-1].tokenize('_')[0].toLowerCase()}" },
+            mode: params.publish_dir_mode,
+            saveAs: { filename -> filename.equals('versions.yml') ? null : filename }
+        ]
+    }
+
 }
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 38afdda..4afdd6c 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -165,7 +165,6 @@ workflow TAXPROFILER {
 
     ch_multiqc_files = ch_multiqc_files.mix( PROFILING.out.mqc )
 
-
     // TODO create multiQC module for metaphlan
     MULTIQC (
         ch_multiqc_files.collect()

From 80c08af11b28f89289bc0739fbd13da661b45644 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sun, 10 Apr 2022 06:48:25 +0200
Subject: [PATCH 135/789] Mix in profiling versions into mainline versons
 channel

---
 workflows/taxprofiler.nf | 1 +
 1 file changed, 1 insertion(+)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 4afdd6c..237f1ea 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -128,6 +128,7 @@ workflow TAXPROFILER {
     */
 
     PROFILING ( ch_shortreads_filtered, ch_longreads_preprocessed, DB_CHECK.out.dbs )
+    ch_versions = ch_versions.mix( PROFILING.out.versions )
 
     /*
         MODULE: MultiQC

From 030099c559a5eeeee2a65c523a9e946748327b45 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sun, 10 Apr 2022 07:26:20 +0200
Subject: [PATCH 136/789] A bit of clean up

---
 subworkflows/local/profiling.nf       | 1 -
 subworkflows/local/shortread_fastp.nf | 2 +-
 workflows/taxprofiler.nf              | 2 ++
 3 files changed, 3 insertions(+), 2 deletions(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index ac48d77..c74c583 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -70,7 +70,6 @@ workflow PROFILING {
                             }
 
     ch_input_for_centrifuge =  ch_input_for_profiling.centrifuge
-                                .dump(tag: "input for centrifuge")
                                 .multiMap {
                                     it ->
                                         reads: [ it[0] + it[2], it[1] ]
diff --git a/subworkflows/local/shortread_fastp.nf b/subworkflows/local/shortread_fastp.nf
index 18baf17..9fb9425 100644
--- a/subworkflows/local/shortread_fastp.nf
+++ b/subworkflows/local/shortread_fastp.nf
@@ -10,7 +10,7 @@ workflow SHORTREAD_FASTP {
     reads // [[meta], [reads]]
 
     main:
-    ch_versions = Channel.empty()
+    ch_versions           = Channel.empty()
     ch_multiqc_files      = Channel.empty()
 
     ch_input_for_fastp = reads
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 237f1ea..4b9f927 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -85,6 +85,7 @@ workflow TAXPROFILER {
     DB_CHECK (
         ch_databases
     )
+    ch_versions = ch_versions.mix(DB_CHECK.out.versions)
 
     /*
         MODULE: Run FastQC
@@ -101,6 +102,7 @@ workflow TAXPROFILER {
         SUBWORKFLOW: PERFORM PREPROCESSING
     */
     if ( params.shortread_clipmerge ) {
+
         ch_shortreads_preprocessed = SHORTREAD_PREPROCESSING ( INPUT_CHECK.out.fastq ).reads
     } else {
         ch_shortreads_preprocessed = INPUT_CHECK.out.fastq

From b892fd0be5b754cc361ab6d9c71f15b732353057 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sun, 10 Apr 2022 22:17:44 +0200
Subject: [PATCH 137/789] Initial attempt at docs

---
 README.md              | 32 ++++++++--------
 assets/samplesheet.csv |  9 +++--
 docs/usage.md          | 84 +++++++++++++++++++++++++++++-------------
 3 files changed, 80 insertions(+), 45 deletions(-)

diff --git a/README.md b/README.md
index e976f73..88f643b 100644
--- a/README.md
+++ b/README.md
@@ -18,7 +18,7 @@
 
 <!-- TODO nf-core: Write a 1-2 sentence summary of what data the pipeline is for and what it does -->
 
-**nf-core/taxprofiler** is a bioinformatics best-practice analysis pipeline for taxonomic profiling of shotgun metagenomic data. It allows for in-parallel profiling against multiple profiling tools and databases and produces standardised output tables.
+**nf-core/taxprofiler** is a bioinformatics best-practice analysis pipeline for taxonomic profiling of shotgun metagenomic data. It allows for in-parallel profiling with multiple profiling tools against multiple databases, produces standardised output tables.
 
 The pipeline is built using [Nextflow](https://www.nextflow.io), a workflow tool to run tasks across multiple compute infrastructures in a very portable manner. It uses Docker/Singularity containers making installation trivial and results highly reproducible. The [Nextflow DSL2](https://www.nextflow.io/docs/latest/dsl2.html) implementation of this pipeline uses one container per process which makes it much easier to maintain and update software dependencies. Where possible, these processes have been submitted to and installed from [nf-core/modules](https://github.com/nf-core/modules) in order to make them available to all nf-core pipelines, and to everyone within the Nextflow community!
 
@@ -32,20 +32,20 @@ On release, automated continuous integration tests run the pipeline on a full-si
 
 1. Read QC ([`FastQC`](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/))
 2. Performs optional read pre-processing
-   - Adapter clipping and merging (short, and nanopore reads)
-   - Low complexity filtering
-   - Host read removal
+   - Adapter clipping and merging (short read: [fastp](https://github.com/OpenGene/fastp), [AdapterRemoval2](https://github.com/MikkelSchubert/adapterremoval); long read: [porechop](https://github.com/rrwick/Porechop))
+   - Low complexity filtering ([bbduk](https://jgi.doe.gov/data-and-tools/software-tools/bbtools/), [PRINSEQ++](https://github.com/Adrian-Cantu/PRINSEQ-plus-plus))
+   - Host read removal ([BowTie2](http://bowtie-bio.sourceforge.net/bowtie2/))
    - Run merging
-3. Performs taxonomic profiling a choice of:
-   - Kraken2
-   - MetaPhlAn3
-   - MALT
-   - DIAMOND
-   - Centrifuge
-   - Kaiju
-   - mOTUs
+3. Performs taxonomic profiling via a choice of any or all of:
+   - [Kraken2](https://ccb.jhu.edu/software/kraken2/)
+   - [MetaPhlAn3](https://huttenhower.sph.harvard.edu/metaphlan/)
+   - [MALT](https://uni-tuebingen.de/fakultaeten/mathematisch-naturwissenschaftliche-fakultaet/fachbereiche/informatik/lehrstuehle/algorithms-in-bioinformatics/software/malt/)
+   - [DIAMOND](https://github.com/bbuchfink/diamond)
+   - [Centrifuge](https://ccb.jhu.edu/software/centrifuge/)
+   - [Kaiju](https://kaiju.binf.ku.dk/)
+   - [mOTUs](https://motu-tool.org/)
 4. Perform optional post-processing with:
-   - bracken
+   - [bracken](https://ccb.jhu.edu/software/bracken/)
 5. Standardises output tables
 6. Present QC for raw reads ([`MultiQC`](http://multiqc.info/))
 
@@ -70,10 +70,8 @@ On release, automated continuous integration tests run the pipeline on a full-si
 
 4. Start running your own analysis!
 
-   <!-- TODO nf-core: Update the example "typical command" below used to run the pipeline -->
-
    ```console
-   nextflow run nf-core/taxprofiler --input samplesheet.csv --outdir <OUTDIR> --genome GRCh37 -profile <docker/singularity/podman/shifter/charliecloud/conda/institute>
+   nextflow run nf-core/taxprofiler --input samplesheet.csv --databases database.csv --outdir <OUTDIR> --run_<TOOL1> --run_<TOOL1> -profile <docker/singularity/podman/shifter/charliecloud/conda/institute>
    ```
 
 ## Documentation
@@ -86,7 +84,7 @@ nf-core/taxprofiler was originally written by nf-core community.
 
 We thank the following people for their extensive assistance in the development of this pipeline:
 
-<!-- TODO nf-core: If applicable, make list of people who have also contributed -->
+[James A. Fellows Yates](https://github.com/jfy133), [Moritz Beber](https://github.com/Midnighter), [Lauri Mesilaakso](https://github.com/ljmesi), [Sofia Stamouli](https://github.com/sofsam), [Maxime Borry](https://github.com/maxibor).
 
 ## Contributions and Support
 
diff --git a/assets/samplesheet.csv b/assets/samplesheet.csv
index 5f653ab..82565b1 100644
--- a/assets/samplesheet.csv
+++ b/assets/samplesheet.csv
@@ -1,3 +1,6 @@
-sample,fastq_1,fastq_2
-SAMPLE_PAIRED_END,/path/to/fastq/files/AEG588A1_S1_L002_R1_001.fastq.gz,/path/to/fastq/files/AEG588A1_S1_L002_R2_001.fastq.gz
-SAMPLE_SINGLE_END,/path/to/fastq/files/AEG588A4_S4_L003_R1_001.fastq.gz,
+sample,run_accession,instrument_platform,fastq_1,fastq_2,fasta
+2611,ERR5766174,ILLUMINA,,,/<path>/<to>/fasta/ERX5474930_ERR5766174_1.fa.gz
+2612,ERR5766176,ILLUMINA,/<path>/<to>/fastq/ERX5474932_ERR5766176_1.fastq.gz,/<path>/<to>/fastq/ERX5474932_ERR5766176_2.fastq.gz,
+2612,ERR5766180,ILLUMINA,/<path>/<to>/fastq/ERX5474936_ERR5766180_1.fastq.gz,,
+2613,ERR5766181,ILLUMINA,/<path>/<to>/fastq/ERX5474937_ERR5766181_1.fastq.gz,/<path>/<to>/fastq/ERX5474937_ERR5766181_2.fastq.gz,
+ERR3201952,ERR3201952,OXFORD_NANOPORE,/<path>/<to>/fastq/ERR3201952.fastq.gz,,
diff --git a/docs/usage.md b/docs/usage.md
index bd840a4..0091d57 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -8,56 +8,90 @@
 
 <!-- TODO nf-core: Add documentation about anything specific to running your pipeline. For general topics, please point to (and add to) the main nf-core website. -->
 
-## Samplesheet input
+## Samplesheet inputs
 
-You will need to create a samplesheet with information about the samples you would like to analyse before running the pipeline. Use this parameter to specify its location. It has to be a comma-separated file with 3 columns, and a header row as shown in the examples below.
+You will need to create a samplesheet with information about the samples you would like to analyse before running the pipeline. Use this parameter to specify its location. It has to be a comma-separated file with 6 columns, and a header row as shown in the examples below. Furthermother, nf-core/taxprofiler also requires a second comma-separated file of 3 columns with a header row as in the examples below.
+
+This samplesheet is then specified on the command line as follows:
 
 ```console
---input '[path to samplesheet file]'
+--input '[path to samplesheet file]' --databases '[path to database sheet file]'
 ```
 
 ### Multiple runs of the same sample
 
-The `sample` identifiers have to be the same when you have re-sequenced the same sample more than once e.g. to increase sequencing depth. The pipeline will concatenate the raw reads before performing any downstream analysis. Below is an example for the same sample sequenced across 3 lanes:
+The `sample` identifiers have to be the same when you have re-sequenced the same sample more than once e.g. to increase sequencing depth. The pipeline will processed reads before performing profiling. Below is an example for the same sample sequenced across 3 lanes:
 
 ```console
-sample,fastq_1,fastq_2
-CONTROL_REP1,AEG588A1_S1_L002_R1_001.fastq.gz,AEG588A1_S1_L002_R2_001.fastq.gz
-CONTROL_REP1,AEG588A1_S1_L003_R1_001.fastq.gz,AEG588A1_S1_L003_R2_001.fastq.gz
-CONTROL_REP1,AEG588A1_S1_L004_R1_001.fastq.gz,AEG588A1_S1_L004_R2_001.fastq.gz
+sample,run_accession,instrument_platform,fastq_1,fastq_2,fasta
+2612,run1,ILLUMINA,2612_run1_R1.fq.gz,,
+2612,run2,ILLUMINA,2612_run2_R1.fq.gz,,
+2612,run3,ILLUMINA,2612_run3_R1.fq.gz,2612_run3_R2.fq.gz,
+
 ```
 
+> ⚠️ Runs of the sample sample sequenced on Illumina platforms with a combination of single and paired-end data will **not** be run-wise concatenated, unless pair-merging is specified. In the example above, `run3` will be profiled independently of `run1` and `run2` if pairs not merged.
+
 ### Full samplesheet
 
-The pipeline will auto-detect whether a sample is single- or paired-end using the information provided in the samplesheet. The samplesheet can have as many columns as you desire, however, there is a strict requirement for the first 3 columns to match those defined in the table below.
+The pipeline will auto-detect whether a sample is single- or paired-end using the information provided in the samplesheet. The samplesheet can have as many columns as you desire, however, there is a strict requirement for the first 6 columns to match those defined in the table below.
 
-A final samplesheet file consisting of both single- and paired-end data may look something like the one below. This is for 6 samples, where `TREATMENT_REP3` has been sequenced twice.
+A final samplesheet file consisting of both single- and paired-end data, as well as long-read FASTA fies may look something like the one below. This is for 6 samples, where `2612` has been sequenced twice.
 
 ```console
-sample,fastq_1,fastq_2
-CONTROL_REP1,AEG588A1_S1_L002_R1_001.fastq.gz,AEG588A1_S1_L002_R2_001.fastq.gz
-CONTROL_REP2,AEG588A2_S2_L002_R1_001.fastq.gz,AEG588A2_S2_L002_R2_001.fastq.gz
-CONTROL_REP3,AEG588A3_S3_L002_R1_001.fastq.gz,AEG588A3_S3_L002_R2_001.fastq.gz
-TREATMENT_REP1,AEG588A4_S4_L003_R1_001.fastq.gz,
-TREATMENT_REP2,AEG588A5_S5_L003_R1_001.fastq.gz,
-TREATMENT_REP3,AEG588A6_S6_L003_R1_001.fastq.gz,
-TREATMENT_REP3,AEG588A6_S6_L004_R1_001.fastq.gz,
+2611,ERR5766174,ILLUMINA,,,/<path>/<to>/fasta/ERX5474930_ERR5766174_1.fa.gz
+2612,ERR5766176,ILLUMINA,/<path>/<to>/fastq/ERX5474932_ERR5766176_1.fastq.gz,/<path>/<to>/fastq/ERX5474932_ERR5766176_2.fastq.gz,
+2612,ERR5766180,ILLUMINA,/<path>/<to>/fastq/ERX5474936_ERR5766180_1.fastq.gz,,
+2613,ERR5766181,ILLUMINA,/<path>/<to>/fastq/ERX5474937_ERR5766181_1.fastq.gz,/<path>/<to>/fastq/ERX5474937_ERR5766181_2.fastq.gz,
+ERR3201952,ERR3201952,OXFORD_NANOPORE,/<path>/<to>/fastq/ERR3201952.fastq.gz,,
 ```
 
-| Column    | Description                                                                                                                                                                            |
-| --------- | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
-| `sample`  | Custom sample name. This entry will be identical for multiple sequencing libraries/runs from the same sample. Spaces in sample names are automatically converted to underscores (`_`). |
-| `fastq_1` | Full path to FastQ file for Illumina short reads 1 or Nanopore reads. File has to be gzipped and have the extension ".fastq.gz" or ".fq.gz".                                           |
-| `fastq_2` | Full path to FastQ file for Illumina short reads 2. File has to be gzipped and have the extension ".fastq.gz" or ".fq.gz".                                                             |
+| Column                | Description                                                                                                                                                                                              |
+| --------------------- | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
+| `sample`              | Unique sample name [required].                                                                                                                                                                           |
+| `run_accession`       | Run ID or name unique for each (pairs of) file(s) .Can also supply sample name again here, if only a single run was generated [required].                                                                |
+| `instrument_platform` | Sequencing platform reads generated on, selected from the EBI ENA [controlled vocabulary](https://www.ebi.ac.uk/ena/portal/api/controlledVocab?field=instrument_platform) [required].                    |
+| `fastq_1`             | Path or URL to sequencing reads or for Illumina R1 sequencing reads in FASTQ format. GZipped compressed files accepted. Can be left empty if data in FASTA is specifed. Cannot be combined with `fasta`. |
+| `fastq_2`             | Path or URL to Illumina R2 sequencing reads in FASTQ format. GZipped compressed files accepted. Can be left empty if single end data. Cannot be combined with `fasta`.                                   |
+| `fasta`               | Path or URL to long-reads or contigs in FASTA format. GZipped compressed files accepted. Can be left empty if data in FASTA is specifed. Cannot be combined with `fastq_1` or `fastq_2`.                 |
 
 An [example samplesheet](../assets/samplesheet.csv) has been provided with the pipeline.
 
+### Full database sheet
+
+nf-core/taxprofiler supports multiple databases being profiled in parallel for each tool. These databases, and specific parameters for each, can be specified in a 4 column comma-separated sheet.
+
+> ⚠️ nf-core/taxprofiler does not provide any databases by default, nor currently generates them for you. This must be performed manually by the user.
+
+An example database sheet can look as follows, where 4 tools are being used, and `malt` and `kraken2` will be used against two databases each.
+
+```console
+tool,db_name,db_params,db_path
+malt,malt85,-id 85,/<path>/<to>/malt/testdb-malt/
+malt,malt95,-id 90,/<path>/<to>/malt/testdb-malt.tar.gz
+kraken2,db1,,/<path>/<to>/kraken2/testdb-kraken2.tar.gz
+kraken2,db2,--quick,/<path>/<to>/kraken2/testdb-kraken2.tar.gz
+centrifuge,db1,,/<path>/<to>/centrifuge/minigut_cf.tar.gz
+metaphlan3,db1,,/<path>/<to>/metaphlan3/metaphlan_database/
+```
+
+Column specifications are as follows:
+
+| Column      | Description                                                                                                                                                                                                                                             |
+| ----------- | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
+| `tool`      | Taxonomic profiling tool (supported by nf-core/taxprofiler) that the database has been indexed for [required].                                                                                                                                          |
+| `db_name`   | A unique name of the particular database [required].                                                                                                                                                                                                    |
+| `db_params` | Any parameters of the given taxonomic profiler that you wish to specify that the taxonomic profiling tool should use when profiling against this specific. Can be empty to use taxonomic profiler defaults Must not be surrounded by quotes [required]. |
+| `db_path`   | Path to the database. Can either be a path to a directory containing the database index files or a `.tar.gz` file which contains the compressed database directory with the same name as the tar archive, minus `.tar.gz` [required].                   |
+
+> 💡 You can also specify the same database directory/file twice (ensuring unique `db_name`s) and specify different parameters for each database to compare the effect of different parameters during profiling.
+
 ## Running the pipeline
 
 The typical command for running the pipeline is as follows:
 
 ```console
-nextflow run nf-core/taxprofiler --input samplesheet.csv --outdir <OUTDIR> --genome GRCh37 -profile docker
+nextflow run nf-core/taxprofiler --input samplesheet.csv --databases databases.csv --outdir <OUTDIR> -profile docker --run_<TOOL1> --run_<TOOL2>
 ```
 
 This will launch the pipeline with the `docker` configuration profile. See below for more information about profiles.
@@ -66,7 +100,7 @@ Note that the pipeline will create the following files in your working directory
 
 ```console
 work                # Directory containing the nextflow working files
-<OUTIDR>            # Finished results in specified location (defined with --outdir)
+<OUTDIR>            # Finished results in specified location (defined with --outdir)
 .nextflow_log       # Log file from Nextflow
 # Other nextflow hidden files, eg. history of pipeline runs and old logs.
 ```

From b8b11fd065ee04ced28f586c505c2e180109b30e Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Mon, 11 Apr 2022 10:30:29 +0200
Subject: [PATCH 138/789] Apply suggestions from code review

Co-authored-by: Moritz E. Beber <midnighter@posteo.net>
---
 README.md     | 2 +-
 docs/usage.md | 6 +++---
 2 files changed, 4 insertions(+), 4 deletions(-)

diff --git a/README.md b/README.md
index 88f643b..f1d59d5 100644
--- a/README.md
+++ b/README.md
@@ -36,7 +36,7 @@ On release, automated continuous integration tests run the pipeline on a full-si
    - Low complexity filtering ([bbduk](https://jgi.doe.gov/data-and-tools/software-tools/bbtools/), [PRINSEQ++](https://github.com/Adrian-Cantu/PRINSEQ-plus-plus))
    - Host read removal ([BowTie2](http://bowtie-bio.sourceforge.net/bowtie2/))
    - Run merging
-3. Performs taxonomic profiling via a choice of any or all of:
+3. Performs taxonomic profiling using one or more of:
    - [Kraken2](https://ccb.jhu.edu/software/kraken2/)
    - [MetaPhlAn3](https://huttenhower.sph.harvard.edu/metaphlan/)
    - [MALT](https://uni-tuebingen.de/fakultaeten/mathematisch-naturwissenschaftliche-fakultaet/fachbereiche/informatik/lehrstuehle/algorithms-in-bioinformatics/software/malt/)
diff --git a/docs/usage.md b/docs/usage.md
index 0091d57..239a55d 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -20,7 +20,7 @@ This samplesheet is then specified on the command line as follows:
 
 ### Multiple runs of the same sample
 
-The `sample` identifiers have to be the same when you have re-sequenced the same sample more than once e.g. to increase sequencing depth. The pipeline will processed reads before performing profiling. Below is an example for the same sample sequenced across 3 lanes:
+The `sample` identifiers have to be the same when you have re-sequenced the same sample more than once e.g. to increase sequencing depth. The pipeline will process reads before performing profiling. Below is an example for the same sample sequenced across 3 lanes:
 
 ```console
 sample,run_accession,instrument_platform,fastq_1,fastq_2,fasta
@@ -30,7 +30,7 @@ sample,run_accession,instrument_platform,fastq_1,fastq_2,fasta
 
 ```
 
-> ⚠️ Runs of the sample sample sequenced on Illumina platforms with a combination of single and paired-end data will **not** be run-wise concatenated, unless pair-merging is specified. In the example above, `run3` will be profiled independently of `run1` and `run2` if pairs not merged.
+> ⚠️ Runs of the same sample sequenced on Illumina platforms with a combination of single and paired-end data will **not** be run-wise concatenated, unless pair-merging is specified. In the example above, `run3` will be profiled independently of `run1` and `run2` if pairs are not merged.
 
 ### Full samplesheet
 
@@ -61,7 +61,7 @@ An [example samplesheet](../assets/samplesheet.csv) has been provided with the p
 
 nf-core/taxprofiler supports multiple databases being profiled in parallel for each tool. These databases, and specific parameters for each, can be specified in a 4 column comma-separated sheet.
 
-> ⚠️ nf-core/taxprofiler does not provide any databases by default, nor currently generates them for you. This must be performed manually by the user.
+> ⚠️ nf-core/taxprofiler does not provide any databases by default, nor does it currently generate them for you. This must be performed manually by the user.
 
 An example database sheet can look as follows, where 4 tools are being used, and `malt` and `kraken2` will be used against two databases each.
 

From 29073e3c93e1ea5a4221ca8ec2080547716b503c Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 11 Apr 2022 13:38:42 +0200
Subject: [PATCH 139/789] Update CI tests

---
 .github/workflows/ci.yml | 1 +
 1 file changed, 1 insertion(+)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 79148f0..5e57889 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -39,6 +39,7 @@ jobs:
           - "--shortread_clipmerge_tool adapterremoval --shortread_clipmerge_mergepairs"
           - "--shortread_complexityfilter_tool bbduk"
           - "--shortread_complexityfilter_tool prinseq"
+          - "--shortread_complexityfilter false --shortread_hostremoval"
 
     steps:
       - name: Check out pipeline code

From 78182c2a8ca72d17b3a1004f100180d44439db42 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 11 Apr 2022 13:40:24 +0200
Subject: [PATCH 140/789] Add comma

---
 workflows/taxprofiler.nf | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index abb330d..95e3588 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -125,7 +125,7 @@ workflow TAXPROFILER {
     } else {
         ch_longreads_preprocessed = INPUT_CHECK.out.nanopore
     }
-    
+
     /*
         SUBWORKFLOW: COMPLEXITY FILTERING
     */
@@ -146,12 +146,12 @@ workflow TAXPROFILER {
     } else {
         ch_shortreads_hostremoved = ch_shortreads_filtered
     }
-    
+
     /*
         SUBWORKFLOW: PROFILING
     */
 
-    PROFILING ( ch_shortreads_hostremoved ch_longreads_preprocessed, DB_CHECK.out.dbs )
+    PROFILING ( ch_shortreads_hostremoved, ch_longreads_preprocessed, DB_CHECK.out.dbs )
     ch_versions = ch_versions.mix( PROFILING.out.versions )
 
     /*
@@ -191,7 +191,7 @@ workflow TAXPROFILER {
     if (params.shortread_hostremoval) {
         ch_multiqc_files = ch_multiqc_files.mix(SHORTREAD_HOSTREMOVAL.out.mqc.collect{it[1]}.ifEmpty([]))
     }
-    
+
     ch_multiqc_files = ch_multiqc_files.mix( PROFILING.out.mqc )
 
     // TODO create multiQC module for metaphlan

From 989dc55ce107ae01331727eb9678a0d41e22de03 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Mon, 11 Apr 2022 17:42:38 +0200
Subject: [PATCH 141/789] Delete extra nf-core directory

---
 nf-core/modules/centrifuge/centrifuge/main.nf | 61 -----------------
 .../modules/centrifuge/centrifuge/meta.yml    | 66 -------------------
 2 files changed, 127 deletions(-)
 delete mode 100644 nf-core/modules/centrifuge/centrifuge/main.nf
 delete mode 100644 nf-core/modules/centrifuge/centrifuge/meta.yml

diff --git a/nf-core/modules/centrifuge/centrifuge/main.nf b/nf-core/modules/centrifuge/centrifuge/main.nf
deleted file mode 100644
index 3d23fc9..0000000
--- a/nf-core/modules/centrifuge/centrifuge/main.nf
+++ /dev/null
@@ -1,61 +0,0 @@
-process CENTRIFUGE_CENTRIFUGE {
-    tag "$meta.id"
-    label 'process_high'
-
-    conda (params.enable_conda ? "bioconda::centrifuge=1.0.4_beta" : null)
-    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/centrifuge:1.0.4_beta--h9a82719_6' :
-        'quay.io/biocontainers/centrifuge:1.0.4_beta--h9a82719_6' }"
-
-    input:
-    tuple val(meta), path(reads)
-    path db
-    val save_unaligned
-    val save_aligned
-    val sam_format
-
-    output:
-    tuple val(meta), path('*report.txt')                 , emit: report
-    tuple val(meta), path('*results.txt')                , emit: results
-    tuple val(meta), path('*.sam')                       , optional: true, emit: sam
-    tuple val(meta), path('*.mapped.fastq{,.1,.2}.gz')   , optional: true, emit: fastq_mapped
-    tuple val(meta), path('*.unmapped.fastq{,.1,.2}.gz') , optional: true, emit: fastq_unmapped
-    path "versions.yml"                                  , emit: versions
-
-    when:
-    task.ext.when == null || task.ext.when
-
-    script:
-    def args = task.ext.args ?: ''
-    def prefix = task.ext.prefix ?: "${meta.id}"
-    def paired = meta.single_end ? "-U ${reads}" :  "-1 ${reads[0]} -2 ${reads[1]}"
-    def unaligned = ''
-    def aligned = ''
-    if (meta.single_end) {
-        unaligned = save_unaligned ? "--un-gz ${prefix}.unmapped.fastq.gz" : ''
-        aligned = save_aligned ? "--al-gz ${prefix}.mapped.fastq.gz" : ''
-    } else {
-        unaligned = save_unaligned ? "--un-conc-gz ${prefix}.unmapped.fastq.gz" : ''
-        aligned = save_aligned ? "--al-conc-gz ${prefix}.mapped.fastq.gz" : ''
-    }
-    def sam_output = sam_format ? "--out-fmt 'sam'" : ''
-    """
-    ## we add "-no-name ._" to ensure silly Mac OSX metafiles files aren't included
-    db_name=`find -L ${db} -name "*.1.cf" -not -name "._*"  | sed 's/.1.cf//'`
-    centrifuge \\
-        -x \$db_name \\
-        -p $task.cpus \\
-        $paired \\
-        --report-file ${prefix}.report.txt \\
-        -S ${prefix}.results.txt \\
-        $unaligned \\
-        $aligned \\
-        $sam_output \\
-        $args
-
-    cat <<-END_VERSIONS > versions.yml
-    "${task.process}":
-        centrifuge: \$( centrifuge --version  | sed -n 1p | sed 's/^.*centrifuge-class version //')
-    END_VERSIONS
-    """
-}
diff --git a/nf-core/modules/centrifuge/centrifuge/meta.yml b/nf-core/modules/centrifuge/centrifuge/meta.yml
deleted file mode 100644
index a252c00..0000000
--- a/nf-core/modules/centrifuge/centrifuge/meta.yml
+++ /dev/null
@@ -1,66 +0,0 @@
-name: centrifuge_centrifuge
-description: Classifies metagenomic sequence data
-keywords:
-  - classify
-  - metagenomics
-  - fastq
-  - db
-tools:
-  - centrifuge:
-      description: Centrifuge is a classifier for metagenomic sequences.
-      homepage: https://ccb.jhu.edu/software/centrifuge/
-      documentation: https://ccb.jhu.edu/software/centrifuge/manual.shtml
-      doi: 10.1101/gr.210641.116
-      licence: ["GPL v3"]
-input:
-  - meta:
-      type: map
-      description: |
-        Groovy Map containing sample information
-        e.g. [ id:'test', single_end:false ]
-  - reads:
-      type: file
-      description: |
-        List of input FastQ files of size 1 and 2 for single-end and paired-end data,
-        respectively.
-  - db:
-      type: directory
-      description: Path to directory containing centrifuge database files
-  - save_unaligned:
-      type: value
-      description: If true unmapped fastq files are saved
-  - save_aligned:
-      type: value
-      description: If true mapped fastq files are saved
-output:
-  - meta:
-      type: map
-      description: |
-        Groovy Map containing sample information
-        e.g. [ id:'test', single_end:false ]
-  - report:
-      type: file
-      description: |
-        File containing a classification summary
-      pattern: "*.{report.txt}"
-  - results:
-      type: file
-      description: |
-        File containing classification results
-      pattern: "*.{results.txt}"
-  - fastq_unmapped:
-      type: file
-      description: Unmapped fastq files
-      pattern: "*.unmapped.fastq.gz"
-  - fastq_mapped:
-      type: file
-      description: Mapped fastq files
-      pattern: "*.mapped.fastq.gz"
-  - versions:
-      type: file
-      description: File containing software versions
-      pattern: "versions.yml"
-authors:
-  - "@sofstam"
-  - "@jfy133"
-  - "@sateeshperi"

From a5f4fc42d53fce99863a3d135b017b9e468722be Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 12 Apr 2022 09:25:27 +0200
Subject: [PATCH 142/789] Fix run merging for unmerged PE data

---
 conf/modules.config      | 2 +-
 workflows/taxprofiler.nf | 7 +++++--
 2 files changed, 6 insertions(+), 3 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 97e9510..eb448bb 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -162,7 +162,7 @@ process {
     }
 
     withName: CAT_FASTQ {
-        ext.prefix = { "${meta.id}-${meta.run_accession}" }
+        ext.prefix = { "${meta.id}" }
         publishDir = [
             path: { "${params.outdir}/run_merging/" },
             mode: params.publish_dir_mode,
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 1da812d..2eb7e8c 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -139,7 +139,11 @@ workflow TAXPROFILER {
                     meta_new.remove('run_accession')
                     [ meta_new, reads ]
             }
-            .groupTuple()
+            .groupTuple(by: 0)
+            .map {
+                meta, reads ->
+                    [ meta, reads.flatten() ]
+            }
             .branch {
                 // we can't concate files if there is not a second run, we branch
                 // here to separate them out, and mix after
@@ -151,7 +155,6 @@ workflow TAXPROFILER {
             .mix( ch_reads_for_cat_branch.skip )
             .map {
                 meta, reads ->
-
                 [ meta, [ reads ].flatten() ]
             }
 

From 9f221f84cc66ca121a46d8f68db8f727dec523c9 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 12 Apr 2022 10:12:17 +0200
Subject: [PATCH 143/789] Only supply single input channel to profiling, as
 these are merged into single input channel at run_merging

---
 subworkflows/local/profiling.nf | 7 +++----
 1 file changed, 3 insertions(+), 4 deletions(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index c74c583..07b6b72 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -9,8 +9,7 @@ include { METAPHLAN3                  } from '../../modules/nf-core/modules/meta
 
 workflow PROFILING {
     take:
-    shortreads // [ [ meta ], [ reads ] ]
-    longreads // [ [ meta ], [ reads ] ]
+    reads // [ [ meta ], [ reads ] ]
     databases // [ [ meta ], path ]
 
     main:
@@ -22,9 +21,9 @@ workflow PROFILING {
     */
 
     // e.g. output [DUMP: reads_plus_db] [['id':'2612', 'run_accession':'combined', 'instrument_platform':'ILLUMINA', 'single_end':1], <reads_path>/2612.merged.fastq.gz, ['tool':'malt', 'db_name':'mal95', 'db_params':'"-id 90"'], <db_path>/malt90]
-    ch_input_for_profiling = shortreads
-            .mix( longreads )
+    ch_input_for_profiling = reads
             .combine(databases)
+            .dump(tag: "combined_withdbs")
             .branch {
                 malt:    it[2]['tool'] == 'malt'
                 kraken2: it[2]['tool'] == 'kraken2'

From 2ef21c6ef3e46ae824ad5c99970b8a5250ef8e38 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 12 Apr 2022 10:14:05 +0200
Subject: [PATCH 144/789] Fix input to profiling

---
 subworkflows/local/profiling.nf | 1 -
 workflows/taxprofiler.nf        | 2 +-
 2 files changed, 1 insertion(+), 2 deletions(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 07b6b72..ac744aa 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -23,7 +23,6 @@ workflow PROFILING {
     // e.g. output [DUMP: reads_plus_db] [['id':'2612', 'run_accession':'combined', 'instrument_platform':'ILLUMINA', 'single_end':1], <reads_path>/2612.merged.fastq.gz, ['tool':'malt', 'db_name':'mal95', 'db_params':'"-id 90"'], <db_path>/malt90]
     ch_input_for_profiling = reads
             .combine(databases)
-            .dump(tag: "combined_withdbs")
             .branch {
                 malt:    it[2]['tool'] == 'malt'
                 kraken2: it[2]['tool'] == 'kraken2'
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 0916cac..7c02f4c 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -167,7 +167,7 @@ workflow TAXPROFILER {
         SUBWORKFLOW: PROFILING
     */
 
-    PROFILING ( ch_reads_runmerged, ch_longreads_preprocessed, DB_CHECK.out.dbs )
+    PROFILING ( ch_reads_runmerged, DB_CHECK.out.dbs )
     ch_versions = ch_versions.mix( PROFILING.out.versions )
 
     /*

From 26399718b2440499f294ebc59d669dd78dd7cdb6 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 12 Apr 2022 10:46:03 +0200
Subject: [PATCH 145/789] Re-add pairment attachment

---
 subworkflows/local/profiling.nf | 6 ++++++
 1 file changed, 6 insertions(+)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index ac744aa..b03b83e 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -23,6 +23,12 @@ workflow PROFILING {
     // e.g. output [DUMP: reads_plus_db] [['id':'2612', 'run_accession':'combined', 'instrument_platform':'ILLUMINA', 'single_end':1], <reads_path>/2612.merged.fastq.gz, ['tool':'malt', 'db_name':'mal95', 'db_params':'"-id 90"'], <db_path>/malt90]
     ch_input_for_profiling = reads
             .combine(databases)
+                meta, reads ->
+                    def meta_new = meta.clone()
+                        pairtype = meta_new['single_end'] ? '_se' : '_pe'
+                        meta_new['id'] =  meta_new['id'] + pairtype
+                    [meta_new, reads]
+            }
             .branch {
                 malt:    it[2]['tool'] == 'malt'
                 kraken2: it[2]['tool'] == 'kraken2'

From 8d689141924a52cf72e666e76db1b575d541a341 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 12 Apr 2022 10:47:44 +0200
Subject: [PATCH 146/789] Re-add operator name

---
 subworkflows/local/profiling.nf | 1 +
 1 file changed, 1 insertion(+)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index b03b83e..8a156c2 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -23,6 +23,7 @@ workflow PROFILING {
     // e.g. output [DUMP: reads_plus_db] [['id':'2612', 'run_accession':'combined', 'instrument_platform':'ILLUMINA', 'single_end':1], <reads_path>/2612.merged.fastq.gz, ['tool':'malt', 'db_name':'mal95', 'db_params':'"-id 90"'], <db_path>/malt90]
     ch_input_for_profiling = reads
             .combine(databases)
+            .map {
                 meta, reads ->
                     def meta_new = meta.clone()
                         pairtype = meta_new['single_end'] ? '_se' : '_pe'

From a15c45b00cd18e2148baf7112f15c340261acdef Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 12 Apr 2022 10:51:27 +0200
Subject: [PATCH 147/789] Put map in the rigt place

---
 subworkflows/local/profiling.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 8a156c2..18de739 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -22,7 +22,6 @@ workflow PROFILING {
 
     // e.g. output [DUMP: reads_plus_db] [['id':'2612', 'run_accession':'combined', 'instrument_platform':'ILLUMINA', 'single_end':1], <reads_path>/2612.merged.fastq.gz, ['tool':'malt', 'db_name':'mal95', 'db_params':'"-id 90"'], <db_path>/malt90]
     ch_input_for_profiling = reads
-            .combine(databases)
             .map {
                 meta, reads ->
                     def meta_new = meta.clone()
@@ -30,6 +29,7 @@ workflow PROFILING {
                         meta_new['id'] =  meta_new['id'] + pairtype
                     [meta_new, reads]
             }
+            .combine(databases)
             .branch {
                 malt:    it[2]['tool'] == 'malt'
                 kraken2: it[2]['tool'] == 'kraken2'

From 16a3556bfcfddf8195bbcd486653325aaa1de4ee Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 13 Apr 2022 08:26:08 +0200
Subject: [PATCH 148/789] Changes after code review

---
 workflows/taxprofiler.nf | 5 +++--
 1 file changed, 3 insertions(+), 2 deletions(-)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 7c02f4c..58671b3 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -139,15 +139,16 @@ workflow TAXPROFILER {
                     meta_new.remove('run_accession')
                     [ meta_new, reads ]
             }
-            .groupTuple(by: 0)
+            .groupTuple()
             .map {
                 meta, reads ->
                     [ meta, reads.flatten() ]
             }
             .branch {
+                meta, reads ->
                 // we can't concatenate files if there is not a second run, we branch
                 // here to separate them out, and mix back in after for efficiency
-                cat: ( it[0]['single_end'] && it[1].size() > 1 ) || ( !it[0]['single_end'] && it[1].size() > 2 )
+                cat: ( meta.single_end && reads.size() > 1 ) || ( !meta.single_end && reads.size() > 2 )
                 skip: true
             }
 

From de5734052601ce6bedd7be2389fef4bacd0affb1 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 13 Apr 2022 11:49:35 +0200
Subject: [PATCH 149/789] Start work

---
 modules.json                                  |  5 +-
 .../nf-core/modules/megan/rma2info/main.nf    | 38 ++++++++++++++
 .../nf-core/modules/megan/rma2info/meta.yml   | 51 +++++++++++++++++++
 nextflow.config                               |  1 +
 subworkflows/local/profiling.nf               | 22 ++++----
 .../local/shortread_postprocessing.nf         | 39 ++++++++++++++
 6 files changed, 146 insertions(+), 10 deletions(-)
 create mode 100644 modules/nf-core/modules/megan/rma2info/main.nf
 create mode 100644 modules/nf-core/modules/megan/rma2info/meta.yml
 create mode 100644 subworkflows/local/shortread_postprocessing.nf

diff --git a/modules.json b/modules.json
index 7fbc65c..e921454 100644
--- a/modules.json
+++ b/modules.json
@@ -30,6 +30,9 @@
             "malt/run": {
                 "git_sha": "72b96f4e504eef673f2b5c13560a9d90b669129b"
             },
+            "megan/rma2info": {
+                "git_sha": "2d38566eca4cc15142b2ffa7c11837569b39aece"
+            },
             "metaphlan3": {
                 "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
             },
@@ -47,4 +50,4 @@
             }
         }
     }
-}
+}
\ No newline at end of file
diff --git a/modules/nf-core/modules/megan/rma2info/main.nf b/modules/nf-core/modules/megan/rma2info/main.nf
new file mode 100644
index 0000000..80d1975
--- /dev/null
+++ b/modules/nf-core/modules/megan/rma2info/main.nf
@@ -0,0 +1,38 @@
+process MEGAN_RMA2INFO {
+    tag "$meta.id"
+    label 'process_low'
+
+    conda (params.enable_conda ? "bioconda::megan=6.21.7" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/megan:6.21.7--h9ee0642_0':
+        'quay.io/biocontainers/megan:6.21.7--h9ee0642_0' }"
+
+    input:
+    tuple val(meta), path(rma6)
+    val(megan_summary)
+
+    output:
+    tuple val(meta), path("*.txt.gz")               , emit: txt
+    tuple val(meta), path("*.megan"), optional: true, emit: megan_summary
+    path "versions.yml"                             , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    def summary = megan_summary ? "-es ${prefix}.megan" : ""
+    """
+    rma2info \\
+        -i ${rma6} \\
+        -o ${prefix}.txt.gz \\
+        ${summary} \\
+        $args
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        megan: \$(echo \$(rma2info 2>&1) | grep version | sed 's/.*version //g;s/, built.*//g')
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/modules/megan/rma2info/meta.yml b/modules/nf-core/modules/megan/rma2info/meta.yml
new file mode 100644
index 0000000..0f2d5a9
--- /dev/null
+++ b/modules/nf-core/modules/megan/rma2info/meta.yml
@@ -0,0 +1,51 @@
+name: "megan_rma2info"
+description: Analyses an RMA file and exports information in text format
+keywords:
+  - megan
+  - rma6
+  - classification
+  - conversion
+tools:
+  - "megan":
+      description: "A tool for studying the taxonomic content of a set of DNA reads"
+      homepage: "https://uni-tuebingen.de/fakultaeten/mathematisch-naturwissenschaftliche-fakultaet/fachbereiche/informatik/lehrstuehle/algorithms-in-bioinformatics/software/megan6/"
+      documentation: "https://software-ab.informatik.uni-tuebingen.de/download/megan6/welcome.html"
+      tool_dev_url: "https://github.com/husonlab/megan-ce"
+      doi: "10.1371/journal.pcbi.1004957"
+      licence: "['GPL >=3']"
+
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - rma6:
+      type: file
+      description: RMA6 file from MEGAN or MALT
+      pattern: "*.rma6"
+  - megan_summary:
+      type: boolean
+      description: Specify whether to generate an MEGAN summary file
+
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+  - txt:
+      type: file
+      description: Compressed text file
+      pattern: "*.txt.gz"
+  - megan_summary:
+      type: file
+      description: Optionally generated MEGAN summary file
+      pattern: "*.megan"
+
+authors:
+  - "@jfy133"
diff --git a/nextflow.config b/nextflow.config
index b4a8d91..8ddf365 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -89,6 +89,7 @@ params {
     centrifuge_save_unaligned  = false
     centrifuge_save_aligned    = false
     centrifuge_sam_format      = false
+
     // metaphlan3
     run_metaphlan3             = false
 }
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index c74c583..59b0dc0 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -14,8 +14,9 @@ workflow PROFILING {
     databases // [ [ meta ], path ]
 
     main:
-    ch_versions       = Channel.empty()
-    ch_multiqc_files  = Channel.empty()
+    ch_versions             = Channel.empty()
+    ch_multiqc_files        = Channel.empty()
+    ch_raw_profiles    = Channel.empty()
 
 /*
         COMBINE READS WITH POSSIBLE DATABASES
@@ -89,30 +90,33 @@ workflow PROFILING {
 
     if ( params.run_malt ) {
         MALT_RUN ( ch_input_for_malt.reads, params.malt_mode, ch_input_for_malt.db )
-        ch_multiqc_files = ch_multiqc_files.mix( MALT_RUN.out.log.collect{it[1]}.ifEmpty([])  )
-        ch_versions = ch_versions.mix( MALT_RUN.out.versions.first() )
+        ch_multiqc_files        = ch_multiqc_files.mix( MALT_RUN.out.log.collect{it[1]}.ifEmpty([])  )
+        ch_versions             = ch_versions.mix( MALT_RUN.out.versions.first() )
+        ch_raw_profiles    = ch_raw_profiles.mix( MALT_RUN.out.rma6 )
     }
 
     if ( params.run_kraken2 ) {
         KRAKEN2_KRAKEN2 ( ch_input_for_kraken2.reads, ch_input_for_kraken2.db  )
-        ch_multiqc_files = ch_multiqc_files.mix( KRAKEN2_KRAKEN2.out.txt.collect{it[1]}.ifEmpty([])  )
-        ch_versions = ch_versions.mix( KRAKEN2_KRAKEN2.out.versions.first() )
+        ch_multiqc_files        = ch_multiqc_files.mix( KRAKEN2_KRAKEN2.out.txt.collect{it[1]}.ifEmpty([])  )
+        ch_versions             = ch_versions.mix( KRAKEN2_KRAKEN2.out.versions.first() )
+        ch_raw_profiles    = ch_raw_profiles.mix( KRAKEN2_KRAKEN2.out.txt )
     }
 
     if ( params.run_centrifuge ) {
         CENTRIFUGE_CENTRIFUGE ( ch_input_for_centrifuge.reads, ch_input_for_centrifuge.db, params.centrifuge_save_unaligned, params.centrifuge_save_aligned, params.centrifuge_sam_format  )
-        ch_versions = ch_versions.mix( CENTRIFUGE_CENTRIFUGE.out.versions.first() )
+        ch_versions             = ch_versions.mix( CENTRIFUGE_CENTRIFUGE.out.versions.first() )
+        ch_raw_profiles    = ch_raw_profiles.mix( CENTRIFUGE_CENTRIFUGE.out.report )
     }
 
     if ( params.run_metaphlan3 ) {
         METAPHLAN3 ( ch_input_for_metaphlan3.reads, ch_input_for_metaphlan3.db )
         ch_versions = ch_versions.mix( METAPHLAN3.out.versions.first() )
+        ch_raw_profiles    = ch_raw_profiles.mix( METAPHLAN3.out.biom )
     }
 
 
     emit:
-    // TODO work out if there is enough standardisation of output to export as one?
-    //output    = ch_filtered_reads    // channel: [ val(meta), [ reads ] ]
+    profiles = ch_raw_profiles    // channel: [ val(meta), [ reads ] ]
     versions = ch_versions          // channel: [ versions.yml ]
     mqc      = ch_multiqc_files
 }
diff --git a/subworkflows/local/shortread_postprocessing.nf b/subworkflows/local/shortread_postprocessing.nf
new file mode 100644
index 0000000..7fb0d70
--- /dev/null
+++ b/subworkflows/local/shortread_postprocessing.nf
@@ -0,0 +1,39 @@
+//
+// Perform read trimming and merging
+//
+
+
+include { SHORTREAD_FASTP             } from './shortread_fastp'
+include { SHORTREAD_ADAPTERREMOVAL    } from './shortread_adapterremoval'
+include { FASTQC as FASTQC_PROCESSED       } from '../../modules/nf-core/modules/fastqc/main'
+
+workflow SHORTREAD_POSTPROCESSING {
+    take:
+    input //  [ [ meta ], [ taxon_table/file ] ]
+
+    main:
+    ch_versions       = Channel.empty()
+    ch_multiqc_files  = Channel.empty()
+
+    if ( params.shortread_clipmerge_tool == "fastp" ) {
+        ch_processed_reads = SHORTREAD_FASTP ( reads ).reads
+        ch_versions        =  ch_versions.mix( SHORTREAD_FASTP.out.versions )
+        ch_multiqc_files   =  ch_multiqc_files.mix( SHORTREAD_FASTP.out.mqc )
+    } else if ( params.shortread_clipmerge_tool == "adapterremoval" ) {
+        ch_processed_reads = SHORTREAD_ADAPTERREMOVAL ( reads ).reads
+        ch_versions        = ch_versions.mix( SHORTREAD_ADAPTERREMOVAL.out.versions )
+        ch_multiqc_files   = ch_multiqc_files.mix( SHORTREAD_ADAPTERREMOVAL.out.mqc )
+    } else {
+        ch_processed_reads = reads
+    }
+
+    FASTQC_PROCESSED ( ch_processed_reads )
+    ch_versions = ch_versions.mix( FASTQC_PROCESSED.out.versions )
+    ch_multiqc_files = ch_multiqc_files.mix( FASTQC_PROCESSED.out.zip )
+
+    emit:
+    output   = output   // channel: [ val(meta), taxon_table ]
+    versions = ch_versions          // channel: [ versions.yml ]
+    mqc      = ch_multiqc_files
+}
+

From dfeaa0d1fe79a6f59c27bdb481904b3bbb620234 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 13 Apr 2022 12:00:28 +0200
Subject: [PATCH 150/789] Rename subworkflow parameters for consistency

---
 .github/workflows/ci.yml |  8 ++++----
 conf/modules.config      |  6 +++---
 conf/test.config         |  6 +++---
 nextflow.config          | 11 ++++++-----
 nextflow_schema.json     | 22 +++++++++++-----------
 workflows/taxprofiler.nf | 16 ++++++++--------
 6 files changed, 35 insertions(+), 34 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 53423cb..c373bc8 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -29,8 +29,8 @@ jobs:
           - NXF_VER: ""
             NXF_EDGE: "1"
         parameters:
-          - "--longread_clip false"
-          - "--shortread_clip false"
+          - "--perform_longread_clip false"
+          - "--perform_shortread_clipmerge false"
           - "--shortread_clipmerge_tool fastp"
           - "--shortread_clipmerge_tool fastp --shortread_clipmerge_mergepairs --shortread_clipmerge_excludeunmerged"
           - "--shortread_clipmerge_tool fastp --shortread_clipmerge_mergepairs"
@@ -39,8 +39,8 @@ jobs:
           - "--shortread_clipmerge_tool adapterremoval --shortread_clipmerge_mergepairs"
           - "--shortread_complexityfilter_tool bbduk"
           - "--shortread_complexityfilter_tool prinseq"
-          - "--run_merging"
-          - "--run_merging --shortread_clipmerge_mergepairs"
+          - "--perform_runmerging"
+          - "--perform_runmerging --shortread_clipmerge_mergepairs"
 
     steps:
       - name: Check out pipeline code
diff --git a/conf/modules.config b/conf/modules.config
index d93486f..42528de 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -173,7 +173,7 @@ process {
 
     withName: MALT_RUN {
         ext.args = { "${meta.db_params}" }
-        ext.prefix = params.run_merging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
             path: { "${params.outdir}/malt/${meta.db_name}" },
             mode: params.publish_dir_mode,
@@ -183,7 +183,7 @@ process {
 
     withName: KRAKEN2_KRAKEN2 {
         ext.args = { "${meta.db_params}" }
-        ext.prefix = params.run_merging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
             path: { "${params.outdir}/kraken2/${meta.db_name}" },
             mode: params.publish_dir_mode,
@@ -193,7 +193,7 @@ process {
 
     withName: METAPHLAN3 {
         ext.args = { "${meta.db_params}" }
-        ext.prefix = params.run_merging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
             path: { "${params.outdir}/metaphlan3/${meta.db_name}" },
             mode: params.publish_dir_mode,
diff --git a/conf/test.config b/conf/test.config
index 6e82300..923dda7 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -28,7 +28,7 @@ params {
     run_malt                      = true
     run_metaphlan3                = true
     run_centrifuge                = true
-    shortread_clipmerge           = true
-    longread_clip                 = false
-    shortread_complexityfilter    = true
+    perform_shortread_clipmerge           = true
+    perform_longread_clip                 = false
+    perform_shortread_complexityfilter    = true
 }
diff --git a/nextflow.config b/nextflow.config
index da8bbdb..b72b4f9 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -55,7 +55,7 @@ params {
     databases = null
 
     // FASTQ preprocessing
-    shortread_clipmerge                     = false
+    perform_shortread_clipmerge             = false
     shortread_clipmerge_tool                = 'fastp'
     shortread_clipmerge_skipadaptertrim     = false
     shortread_clipmerge_mergepairs          = false
@@ -63,11 +63,11 @@ params {
     shortread_clipmerge_adapter1            = null
     shortread_clipmerge_adapter2            = null
     shortread_clipmerge_minlength           = 15
-    longread_clip                           = false
+    perform_longread_clip                   = false
     save_preprocessed_reads                 = false
 
     // Complexity filtering
-    shortread_complexityfilter                           = false
+    perform_shortread_complexityfilter                   = false
     shortread_complexityfilter_tool                      = 'bbduk'
     shortread_complexityfilter_entropy                   = 0.3
     shortread_complexityfilter_bbduk_windowsize          = 50
@@ -77,8 +77,8 @@ params {
     save_complexityfiltered_reads                        = false
 
     // run merging
-    run_merging                = false
-    save_runmerged_reads       = false
+    perform_runmerging          = false
+    save_runmerged_reads        = false
 
     // MALT
     run_malt                   = false
@@ -92,6 +92,7 @@ params {
     centrifuge_save_unaligned  = false
     centrifuge_save_aligned    = false
     centrifuge_sam_format      = false
+
     // metaphlan3
     run_metaphlan3             = false
 }
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 4db7fa0..06bd94b 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -262,15 +262,9 @@
             "type": "string",
             "default": "None"
         },
-        "shortread_clipmerge": {
-            "type": "boolean"
-        },
         "shortread_clipmerge_excludeunmerged": {
             "type": "boolean"
         },
-        "longread_clip": {
-            "type": "boolean"
-        },
         "run_malt": {
             "type": "boolean"
         },
@@ -334,9 +328,6 @@
         "shortread_complexityfilter_bbduk_mask": {
             "type": "boolean"
         },
-        "shortread_complexityfilter": {
-            "type": "boolean"
-        },
         "shortread_complexityfilter_entropy": {
             "type": "number",
             "default": 0.3
@@ -353,10 +344,19 @@
         "save_complexityfiltered_reads": {
             "type": "boolean"
         },
-        "run_merging": {
+        "save_runmerged_reads": {
+            "type": "boolean"
+        },
+        "perform_shortread_clipmerge": {
             "type": "boolean"
         },
-        "save_runmerged_reads": {
+        "perform_longread_clip": {
+            "type": "boolean"
+        },
+        "perform_shortread_complexityfilter": {
+            "type": "boolean"
+        },
+        "perform_runmerging": {
             "type": "boolean"
         }
     }
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 58671b3..f086557 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -101,14 +101,14 @@ workflow TAXPROFILER {
     /*
         SUBWORKFLOW: PERFORM PREPROCESSING
     */
-    if ( params.shortread_clipmerge ) {
+    if ( params.perform_shortread_clipmerge ) {
 
         ch_shortreads_preprocessed = SHORTREAD_PREPROCESSING ( INPUT_CHECK.out.fastq ).reads
     } else {
         ch_shortreads_preprocessed = INPUT_CHECK.out.fastq
     }
 
-    if ( params.longread_clip ) {
+    if ( params.perform_longread_clip ) {
         ch_longreads_preprocessed = LONGREAD_PREPROCESSING ( INPUT_CHECK.out.nanopore ).reads
                                         .map { it -> [ it[0], [it[1]] ] }
     } else {
@@ -119,7 +119,7 @@ workflow TAXPROFILER {
         SUBWORKFLOW: COMPLEXITY FILTERING
     */
 
-    if ( params.shortread_complexityfilter ) {
+    if ( params.perform_shortread_complexityfilter ) {
         ch_shortreads_filtered = SHORTREAD_COMPLEXITYFILTERING ( ch_shortreads_preprocessed ).reads
     } else {
         ch_shortreads_filtered = ch_shortreads_preprocessed
@@ -129,7 +129,7 @@ workflow TAXPROFILER {
         STEP: Run merging
     */
 
-    if ( params.run_merging ) {
+    if ( params.perform_runmerging ) {
 
         ch_reads_for_cat_branch = ch_shortreads_filtered
             .mix( ch_longreads_preprocessed )
@@ -190,22 +190,22 @@ workflow TAXPROFILER {
     ch_multiqc_files = ch_multiqc_files.mix(CUSTOM_DUMPSOFTWAREVERSIONS.out.mqc_yml.collect())
     ch_multiqc_files = ch_multiqc_files.mix(FASTQC.out.zip.collect{it[1]}.ifEmpty([]))
 
-    if (params.shortread_clipmerge) {
+    if (params.perform_shortread_clipmerge) {
         ch_multiqc_files = ch_multiqc_files.mix( SHORTREAD_PREPROCESSING.out.mqc.collect{it[1]}.ifEmpty([]) )
         ch_versions = ch_versions.mix( SHORTREAD_PREPROCESSING.out.versions )
     }
 
-    if (params.longread_clip) {
+    if (params.perform_longread_clip) {
         ch_multiqc_files = ch_multiqc_files.mix( LONGREAD_PREPROCESSING.out.mqc.collect{it[1]}.ifEmpty([]) )
         ch_versions = ch_versions.mix( LONGREAD_PREPROCESSING.out.versions )
     }
 
-    if (params.shortread_complexityfilter){
+    if (params.perform_shortread_complexityfilter){
         ch_multiqc_files = ch_multiqc_files.mix( SHORTREAD_COMPLEXITYFILTERING.out.mqc.collect{it[1]}.ifEmpty([]) )
         ch_versions = ch_versions.mix( SHORTREAD_COMPLEXITYFILTERING.out.versions )
     }
 
-    if (params.run_merging){
+    if (params.perform_runmerging){
         ch_versions = ch_versions.mix(CAT_FASTQ.out.versions)
     }
 

From aa2d07c42ae4e451711a4147264782d567576e88 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 13 Apr 2022 14:19:19 +0200
Subject: [PATCH 151/789] Fix merge cockup

---
 .github/workflows/ci.yml |  2 +-
 conf/test.config         |  2 +-
 nextflow.config          |  2 +-
 nextflow_schema.json     |  2 +-
 workflows/taxprofiler.nf | 13 +++++--------
 5 files changed, 9 insertions(+), 12 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index b18e601..a1ece72 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -41,7 +41,7 @@ jobs:
           - "--shortread_complexityfilter_tool prinseq"
           - "--perform_runmerging"
           - "--perform_runmerging --shortread_clipmerge_mergepairs"
-          - "--shortread_complexityfilter false --shortread_hostremoval"
+          - "--shortread_complexityfilter false --perform_shortread_hostremoval"
 
     steps:
       - name: Check out pipeline code
diff --git a/conf/test.config b/conf/test.config
index 1d08d91..8f12312 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -31,6 +31,6 @@ params {
     perform_shortread_clipmerge           = true
     perform_longread_clip                 = false
     perform_shortread_complexityfilter    = true
-    shortread_hostremoval           = true
+    perform_shortread_hostremoval           = true
     shortread_hostremoval_reference = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/homo_sapiens/genome/genome.fasta'
 }
diff --git a/nextflow.config b/nextflow.config
index 6b0a79d..94c5837 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -81,7 +81,7 @@ params {
     save_runmerged_reads        = false
 
     // Host Removal
-    shortread_hostremoval           = false
+    perform_shortread_hostremoval           = false
     shortread_hostremoval_reference = null
     shortread_hostremoval_index     = null
 
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 07295e3..cf0edab 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -359,7 +359,7 @@
         "perform_runmerging": {
             "type": "boolean"
         },
-        "shortread_hostremoval": {
+        "perform_shortread_hostremoval": {
             "type": "boolean"
         },
         "shortread_hostremoval_reference": {
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 894a1e1..9fe8cc8 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -22,11 +22,10 @@ if (params.databases) { ch_databases = file(params.databases) } else { exit 1, '
 if (params.shortread_clipmerge_mergepairs && params.run_malt ) log.warn "[nf-core/taxprofiler] warning: MALT does not accept uncollapsed paired-reads. Pairs will be profiled as separate files."
 if (params.shortread_clipmerge_excludeunmerged && !params.shortread_clipmerge_mergepairs) exit 1, "[nf-core/taxprofiler] error: cannot include unmerged reads when merging not turned on. Please specify --shortread_clipmerge_mergepairs"
 
-// TODO Add check if index but no reference exit 1
-if (params.shortread_hostremoval && !params.shortread_hostremoval_reference) { exit 1, "[nf-core/taxprofiler] error: --shortread_hostremoval requested but no --shortread_hostremoval_reference FASTA supplied. Check input." }
+if (params.perform_shortread_hostremoval && !params.shortread_hostremoval_reference) { exit 1, "[nf-core/taxprofiler] error: --shortread_hostremoval requested but no --shortread_hostremoval_reference FASTA supplied. Check input." }
 if (!params.shortread_hostremoval_reference && params.shortread_hostremoval_reference_index) { exit 1, "[nf-core/taxprofiler] error: --shortread_hostremoval_index provided but no --shortread_hostremoval_reference FASTA supplied. Check input." }
 
-if (params.shortread_hostremoval_reference ) { ch_reference       = file(params.shortread_hostremoval_reference) } else { ch_reference       = [] }
+if (params.shortread_hostremoval_reference ) { ch_reference       = file(params.shortread_hostremoval_reference) }
 if (params.shortread_hostremoval_index     ) { ch_reference_index = file(params.shortread_hostremoval_index    ) } else { ch_reference_index = [] }
 
 /*
@@ -140,15 +139,13 @@ workflow TAXPROFILER {
         SUBWORKFLOW: HOST REMOVAL
     */
 
-    if ( params.shortread_hostremoval ) {
+    if ( params.perform_shortread_hostremoval ) {
         ch_shortreads_hostremoved = SHORTREAD_HOSTREMOVAL ( ch_shortreads_filtered, ch_reference, ch_reference_index ).reads
         ch_versions = ch_versions.mix(SHORTREAD_HOSTREMOVAL.out.versions.first())
     } else {
         ch_shortreads_hostremoved = ch_shortreads_filtered
     }
 
-    */
-
     if ( params.perform_runmerging ) {
 
         ch_reads_for_cat_branch = ch_shortreads_hostremoved
@@ -225,11 +222,11 @@ workflow TAXPROFILER {
         ch_versions = ch_versions.mix( SHORTREAD_COMPLEXITYFILTERING.out.versions )
     }
 
-    if (params.shortread_hostremoval) {
+    if (params.perform_shortread_hostremoval) {
         ch_multiqc_files = ch_multiqc_files.mix(SHORTREAD_HOSTREMOVAL.out.mqc.collect{it[1]}.ifEmpty([]))
         ch_versions = ch_versions.mix(SHORTREAD_HOSTREMOVAL.out.versions)
     }
-    
+
     if (params.perform_runmerging){
         ch_versions = ch_versions.mix(CAT_FASTQ.out.versions)
     }

From 5e80df0f949557883ea6e961b0ea7ba3214065c5 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Wed, 13 Apr 2022 15:27:53 +0200
Subject: [PATCH 152/789] Apply suggestions from code review

---
 conf/test.config | 4 ++--
 nextflow.config  | 2 +-
 2 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/conf/test.config b/conf/test.config
index 8f12312..9fa5de8 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -31,6 +31,6 @@ params {
     perform_shortread_clipmerge           = true
     perform_longread_clip                 = false
     perform_shortread_complexityfilter    = true
-    perform_shortread_hostremoval           = true
-    shortread_hostremoval_reference = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/homo_sapiens/genome/genome.fasta'
+    perform_shortread_hostremoval         = true
+    shortread_hostremoval_reference       = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/homo_sapiens/genome/genome.fasta'
 }
diff --git a/nextflow.config b/nextflow.config
index 94c5837..bf3ca92 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -81,7 +81,7 @@ params {
     save_runmerged_reads        = false
 
     // Host Removal
-    perform_shortread_hostremoval           = false
+    perform_shortread_hostremoval     = false
     shortread_hostremoval_reference = null
     shortread_hostremoval_index     = null
 

From 68ce5843a475b6d4a28713a82ecc30816368d0ff Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Wed, 13 Apr 2022 18:51:56 +0200
Subject: [PATCH 153/789] Add kaiju in taxprofiler

---
 conf/modules.config                          |  9 ++++
 conf/test.config                             | 13 ++---
 modules/nf-core/modules/kaiju/kaiju/main.nf  | 41 +++++++++++++++
 modules/nf-core/modules/kaiju/kaiju/meta.yml | 53 ++++++++++++++++++++
 nextflow.config                              |  3 ++
 subworkflows/local/profiling.nf              | 13 +++++
 6 files changed, 126 insertions(+), 6 deletions(-)
 create mode 100644 modules/nf-core/modules/kaiju/kaiju/main.nf
 create mode 100644 modules/nf-core/modules/kaiju/kaiju/meta.yml

diff --git a/conf/modules.config b/conf/modules.config
index ccd1748..f85df30 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -245,4 +245,13 @@ process {
         ]
     }
 
+    withName: KAIJU_KAIJU {
+        publishDir = [
+            path: { "${params.outdir}/kaiju/${meta.db_name}" },
+            mode: params.publish_dir_mode,
+            pattern: '*.tsv'
+        ]
+        ext.args = { "${meta.db_params}" }
+        ext.prefix = { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+    }
 }
diff --git a/conf/test.config b/conf/test.config
index 9fa5de8..884ff32 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -22,15 +22,16 @@ params {
     // Input data
     // TODO nf-core: Specify the paths to your test data on nf-core/test-datasets
     // TODO nf-core: Give any required params for the test so that command line flags are not needed
-    input                         = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
-    databases                     = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
-    run_kraken2                   = true
-    run_malt                      = true
-    run_metaphlan3                = true
-    run_centrifuge                = true
+    input                                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
+    databases                             = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
+    run_kraken2                           = true
+    run_malt                              = true
+    run_metaphlan3                        = true
+    run_centrifuge                        = true
     perform_shortread_clipmerge           = true
     perform_longread_clip                 = false
     perform_shortread_complexityfilter    = true
     perform_shortread_hostremoval         = true
     shortread_hostremoval_reference       = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/homo_sapiens/genome/genome.fasta'
+    run_kaiju                             = true
 }
diff --git a/modules/nf-core/modules/kaiju/kaiju/main.nf b/modules/nf-core/modules/kaiju/kaiju/main.nf
new file mode 100644
index 0000000..ae8f99e
--- /dev/null
+++ b/modules/nf-core/modules/kaiju/kaiju/main.nf
@@ -0,0 +1,41 @@
+process KAIJU_KAIJU {
+    tag "$meta.id"
+    label 'process_high'
+
+    conda (params.enable_conda ? "bioconda::kaiju=1.8.2" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/kaiju:1.8.2--h5b5514e_1':
+        'quay.io/biocontainers/kaiju:1.8.2--h5b5514e_1' }"
+
+    input:
+    tuple val(meta), path(reads)
+    path(db)
+
+    output:
+    tuple val(meta), path('*.tsv'), emit: results
+    path "versions.yml"           , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    def input = meta.single_end ? "-i ${reads}" : "-i ${reads[0]} -j ${reads[1]}"
+    """
+    dbnodes=`find -L ${db} -name "*nodes.dmp"`
+    dbname=`find -L ${db} -name "*.fmi" -not -name "._*"`
+    kaiju \\
+        $args \\
+        -z $task.cpus \\
+        -t \$dbnodes \\
+        -f \$dbname \\
+        -o ${prefix}.tsv \\
+        $input
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        kaiju: \$(echo \$( kaiju -h 2>&1 | sed -n 1p | sed 's/^.*Kaiju //' ))
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/modules/kaiju/kaiju/meta.yml b/modules/nf-core/modules/kaiju/kaiju/meta.yml
new file mode 100644
index 0000000..e24c8ef
--- /dev/null
+++ b/modules/nf-core/modules/kaiju/kaiju/meta.yml
@@ -0,0 +1,53 @@
+name: kaiju_kaiju
+description: Taxonomic classification of metagenomic sequence data using a protein reference database
+keywords:
+  - classify
+  - metagenomics
+  - fastq
+  - taxonomic profiling
+tools:
+  - kaiju:
+      description: Fast and sensitive taxonomic classification for metagenomics
+      homepage: https://kaiju.binf.ku.dk/
+      documentation: https://github.com/bioinformatics-centre/kaiju/blob/master/README.md
+      tool_dev_url: https://github.com/bioinformatics-centre/kaiju
+      doi: "10.1038/ncomms11257"
+      licence: ["GNU GPL v3"]
+
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - reads:
+      type: file
+      description: |
+        List of input fastq/fasta files of size 1 and 2 for single-end and paired-end data,
+        respectively.
+      pattern: "*.{fastq,fq,fasta,fa,fsa,fas,fna,fastq.gz,fq.gz,fasta.gz,fa.gz,fsa.gz,fas.gz,fna.gz}"
+  - db:
+      type: files
+      description: |
+        List containing the database and nodes files for Kaiju
+        e.g. [ 'database.fmi', 'nodes.dmp' ]
+
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+  - results:
+      type: file
+      description: Results with taxonomic classification of each read
+      pattern: "*.tsv"
+
+authors:
+  - "@talnor"
+  - "@sofstam"
+  - "@jfy133"
diff --git a/nextflow.config b/nextflow.config
index bf3ca92..9ad84d5 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -100,6 +100,9 @@ params {
 
     // metaphlan3
     run_metaphlan3             = false
+
+    // kaiju
+    run_kaiju                  = false
 }
 
 // Load base.config by default for all pipelines
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 18de739..272b5b4 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -6,6 +6,7 @@ include { MALT_RUN                    } from '../../modules/nf-core/modules/malt
 include { KRAKEN2_KRAKEN2             } from '../../modules/nf-core/modules/kraken2/kraken2/main'
 include { CENTRIFUGE_CENTRIFUGE       } from '../../modules/nf-core/modules/centrifuge/centrifuge/main'
 include { METAPHLAN3                  } from '../../modules/nf-core/modules/metaphlan3/main'
+include { KAIJU_KAIJU                 } from '../../modules/nf-core/modules/kaiju/kaiju/main'
 
 workflow PROFILING {
     take:
@@ -35,6 +36,7 @@ workflow PROFILING {
                 kraken2: it[2]['tool'] == 'kraken2'
                 metaphlan3: it[2]['tool'] == 'metaphlan3'
                 centrifuge: it[2]['tool'] == 'centrifuge'
+                kaiju: it[2]['tool'] == 'kaiju'
                 unknown: true
             }
 
@@ -88,6 +90,13 @@ workflow PROFILING {
                                     db: it[3]
                             }
 
+    ch_input_for_kaiju = ch_input_for_profiling.kaiju
+                            .multiMap {
+                                it ->
+                                    reads: [it[0] + it[2], it[1]]
+                                    db: it[3]
+                            }
+
     /*
         RUN PROFILING
     */
@@ -114,6 +123,10 @@ workflow PROFILING {
         ch_versions = ch_versions.mix( METAPHLAN3.out.versions.first() )
     }
 
+    if ( params.run_kaiju ) {
+        KAIJU_KAIJU ( ch_input_for_kaiju.reads, ch_input_for_kaiju.db )
+        ch_versions = ch_versions.mix( KAIJU_KAIJU.out.versions.first() )
+    }
 
     emit:
     // TODO work out if there is enough standardisation of output to export as one?

From 6736a2a980edd1244c8f3943d385f07f5b8a69ff Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Wed, 13 Apr 2022 19:00:52 +0200
Subject: [PATCH 154/789] Update README.md, nextflow_schema.json

---
 README.md            |  1 +
 modules.json         |  3 +++
 nextflow_schema.json | 34 +++++++++++++++++++++++++++-------
 3 files changed, 31 insertions(+), 7 deletions(-)

diff --git a/README.md b/README.md
index f1d59d5..66578e5 100644
--- a/README.md
+++ b/README.md
@@ -44,6 +44,7 @@ On release, automated continuous integration tests run the pipeline on a full-si
    - [Centrifuge](https://ccb.jhu.edu/software/centrifuge/)
    - [Kaiju](https://kaiju.binf.ku.dk/)
    - [mOTUs](https://motu-tool.org/)
+   - [MetaMaps](https://github.com/DiltheyLab/MetaMaps)
 4. Perform optional post-processing with:
    - [bracken](https://ccb.jhu.edu/software/bracken/)
 5. Standardises output tables
diff --git a/modules.json b/modules.json
index 2be0b7f..726e701 100644
--- a/modules.json
+++ b/modules.json
@@ -50,6 +50,9 @@
             },
             "untar": {
                 "git_sha": "e080f4c8acf5760039ed12ec1f206170f3f9a918"
+            },
+            "kaiju/kaiju": {
+                "git_sha": "8856f127c58f6af479128be8b8df4d42e442ddbe"
             }
         }
     }
diff --git a/nextflow_schema.json b/nextflow_schema.json
index cf0edab..75854bf 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,7 +10,10 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["input", "outdir"],
+            "required": [
+                "input",
+                "outdir"
+            ],
             "properties": {
                 "input": {
                     "type": "string",
@@ -173,7 +176,14 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
+                    "enum": [
+                        "symlink",
+                        "rellink",
+                        "link",
+                        "copy",
+                        "copyNoFollow",
+                        "move"
+                    ],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -294,7 +304,10 @@
         "shortread_clipmerge_tool": {
             "type": "string",
             "default": "fastp",
-            "enum": ["fastp", "adapterremoval"]
+            "enum": [
+                "fastp",
+                "adapterremoval"
+            ]
         },
         "shortread_clipmerge_skipadaptertrim": {
             "type": "boolean"
@@ -335,7 +348,10 @@
         "shortread_complexityfilter_prinseqplusplus_mode": {
             "type": "string",
             "default": "entropy",
-            "enum": ["entropy", "dust"]
+            "enum": [
+                "entropy",
+                "dust"
+            ]
         },
         "shortread_complexityfilter_prinseqplusplus_dustscore": {
             "type": "number",
@@ -364,11 +380,15 @@
         },
         "shortread_hostremoval_reference": {
             "type": "string",
-            "default": null
+            "default": "None"
         },
         "shortread_hostremoval_index": {
             "type": "string",
-            "default": null
+            "default": "None"
+        },
+        "run_kaiju": {
+            "type": "string",
+            "default": "false"
         }
     }
-}
+}
\ No newline at end of file

From 0e5c9e7bdd4f00323969f5f6d7217cc33ba63f5b Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Thu, 14 Apr 2022 09:14:05 +0200
Subject: [PATCH 155/789] Type:boolean for kaiju in nextflow_schema.json

---
 nextflow_schema.json | 5 ++---
 1 file changed, 2 insertions(+), 3 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 75854bf..5fe371d 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -387,8 +387,7 @@
             "default": "None"
         },
         "run_kaiju": {
-            "type": "string",
-            "default": "false"
+            "type": "boolean"
         }
     }
-}
\ No newline at end of file
+}

From cc73cdd51d26330d831ec306f8a5da081fb8665a Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sat, 16 Apr 2022 07:42:30 +0200
Subject: [PATCH 156/789] Add generation of taxon-table like output for MALT

---
 CITATIONS.md                                  | 10 ++++-
 conf/modules.config                           | 15 ++++++-
 nextflow.config                               |  1 +
 nextflow_schema.json                          |  7 +++-
 subworkflows/local/profiling.nf               | 32 +++++++++++----
 .../local/shortread_postprocessing.nf         | 39 -------------------
 6 files changed, 52 insertions(+), 52 deletions(-)
 delete mode 100644 subworkflows/local/shortread_postprocessing.nf

diff --git a/CITATIONS.md b/CITATIONS.md
index e7bcf47..02621d9 100644
--- a/CITATIONS.md
+++ b/CITATIONS.md
@@ -40,9 +40,17 @@
 
   > Vågene, Åshild J., Alexander Herbig, Michael G. Campana, Nelly M. Robles García, Christina Warinner, Susanna Sabin, Maria A. Spyrou, et al. 2018. Salmonella Enterica Genomes from Victims of a Major Sixteenth-Century Epidemic in Mexico. Nature Ecology & Evolution 2 (3): 520-28. doi: 10.1038/s41559-017-0446-6.
 
+- [MEGAN](https://doi.org/10.1371/journal.pcbi.1004957)
+
+  > Huson, Daniel H., Sina Beier, Isabell Flade, Anna Górska, Mohamed El-Hadidi, Suparna Mitra, Hans-Joachim Ruscheweyh, and Rewati Tappu. 2016. “MEGAN Community Edition - Interactive Exploration and Analysis of Large-Scale Microbiome Sequencing Data.” PLoS Computational Biology 12 (6): e1004957. doi: 10.1371/journal.pcbi.1004957.
+
 - [MetaPhlAn3](https://doi.org/10.7554/eLife.65088)
 
-  > Beghini, Francesco, Lauren J McIver, Aitor Blanco-Míguez, Leonard Dubois, Francesco Asnicar, Sagun Maharjan, Ana Mailyan, et al. 2021. “Integrating Taxonomic, Functional, and Strain-Level Profiling of Diverse Microbial Communities with BioBakery 3.” Edited by Peter Turnbaugh, Eduardo Franco, and C Titus Brown. ELife 10 (May): e65088.
+  > Beghini, Francesco, Lauren J McIver, Aitor Blanco-Míguez, Leonard Dubois, Francesco Asnicar, Sagun Maharjan, Ana Mailyan, et al. 2021. “Integrating Taxonomic, Functional, and Strain-Level Profiling of Diverse Microbial Communities with BioBakery 3.” Edited by Peter Turnbaugh, Eduardo Franco, and C Titus Brown. ELife 10 (May): e65088. doi: 10.7554/eLife.65088
+
+- [Centrifuge](https://doi.org/10.1101/gr.210641.116)
+
+  > Kim, Daehwan, Li Song, Florian P. Breitwieser, and Steven L. Salzberg. 2016. “Centrifuge: Rapid and Sensitive Classification of Metagenomic Sequences.” Genome Research 26 (12): 1721-29. doi: 10.1101/gr.210641.116.
 
 ## Software packaging/containerisation tools
 
diff --git a/conf/modules.config b/conf/modules.config
index ccd1748..23455a4 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -191,11 +191,22 @@ process {
 
     withName: MALT_RUN {
         ext.args = { "${meta.db_params}" }
-        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+        // one run with multiple samples, so fix ID to just db name to ensure clean log name
+        ext.prefix = { "${meta.db_name}" }
+        publishDir = [
+            path: { "${params.outdir}/malt/${meta.db_name}" },
+            mode: params.publish_dir_mode,
+            pattern: '*.{rma6,log,sam}'
+        ]
+    }
+
+    withName: MEGAN_RMA2INFO {
+        ext.args = "-c2c Taxonomy"
+        ext.prefix = { "${meta.id}" }
         publishDir = [
             path: { "${params.outdir}/malt/${meta.db_name}" },
             mode: params.publish_dir_mode,
-            pattern: '*.{log}'
+            pattern: '*.{txt.gz,megan}'
         ]
     }
 
diff --git a/nextflow.config b/nextflow.config
index bf3ca92..a618f66 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -88,6 +88,7 @@ params {
     // MALT
     run_malt                   = false
     malt_mode                  = 'BlastN'
+    malt_generatemegansummary = false
 
     // kraken2
     run_kraken2                = false
diff --git a/nextflow_schema.json b/nextflow_schema.json
index cf0edab..2cbfb0e 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -364,11 +364,14 @@
         },
         "shortread_hostremoval_reference": {
             "type": "string",
-            "default": null
+            "default": "None"
         },
         "shortread_hostremoval_index": {
             "type": "string",
-            "default": null
+            "default": "None"
+        },
+        "malt_generatemegansummary": {
+            "type": "boolean"
         }
     }
 }
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 23b96e7..d7532b7 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -3,6 +3,7 @@
 //
 
 include { MALT_RUN                    } from '../../modules/nf-core/modules/malt/run/main'
+include { MEGAN_RMA2INFO              } from '../../modules/nf-core/modules/megan/rma2info/main'
 include { KRAKEN2_KRAKEN2             } from '../../modules/nf-core/modules/kraken2/kraken2/main'
 include { CENTRIFUGE_CENTRIFUGE       } from '../../modules/nf-core/modules/centrifuge/centrifuge/main'
 include { METAPHLAN3                  } from '../../modules/nf-core/modules/metaphlan3/main'
@@ -95,33 +96,48 @@ workflow PROFILING {
 
     if ( params.run_malt ) {
         MALT_RUN ( ch_input_for_malt.reads, params.malt_mode, ch_input_for_malt.db )
-        ch_multiqc_files        = ch_multiqc_files.mix( MALT_RUN.out.log.collect{it[1]}.ifEmpty([])  )
-        ch_versions             = ch_versions.mix( MALT_RUN.out.versions.first() )
-        ch_raw_profiles    = ch_raw_profiles.mix( MALT_RUN.out.rma6 )
+
+        ch_maltrun_for_megan = MALT_RUN.out.rma6
+                                .transpose()
+                                .map{
+                                    meta, rma ->
+                                            // re-extract meta from file names, use filename without rma to
+                                            // ensure we keep paired-end information in downstream filenames
+                                            // when no pair-merging
+                                            def meta_new = meta.clone()
+                                            meta_new['db_name'] = meta.id
+                                            meta_new['id'] = rma.name - ( '.' + rma.extension )
+                                        [ meta_new, rma ]
+                                }
+
+        MEGAN_RMA2INFO (ch_maltrun_for_megan, params.malt_generatemegansummary )
+        ch_multiqc_files   = ch_multiqc_files.mix( MALT_RUN.out.log.collect{it[1]}.ifEmpty([])  )
+        ch_versions        = ch_versions.mix( MALT_RUN.out.versions.first() )
+        ch_raw_profiles    = ch_raw_profiles.mix( MEGAN_RMA2INFO.out.txt )
     }
 
     if ( params.run_kraken2 ) {
         KRAKEN2_KRAKEN2 ( ch_input_for_kraken2.reads, ch_input_for_kraken2.db  )
-        ch_multiqc_files        = ch_multiqc_files.mix( KRAKEN2_KRAKEN2.out.txt.collect{it[1]}.ifEmpty([])  )
-        ch_versions             = ch_versions.mix( KRAKEN2_KRAKEN2.out.versions.first() )
+        ch_multiqc_files   = ch_multiqc_files.mix( KRAKEN2_KRAKEN2.out.txt.collect{it[1]}.ifEmpty([])  )
+        ch_versions        = ch_versions.mix( KRAKEN2_KRAKEN2.out.versions.first() )
         ch_raw_profiles    = ch_raw_profiles.mix( KRAKEN2_KRAKEN2.out.txt )
     }
 
     if ( params.run_centrifuge ) {
         CENTRIFUGE_CENTRIFUGE ( ch_input_for_centrifuge.reads, ch_input_for_centrifuge.db, params.centrifuge_save_unaligned, params.centrifuge_save_aligned, params.centrifuge_sam_format  )
-        ch_versions             = ch_versions.mix( CENTRIFUGE_CENTRIFUGE.out.versions.first() )
+        ch_versions        = ch_versions.mix( CENTRIFUGE_CENTRIFUGE.out.versions.first() )
         ch_raw_profiles    = ch_raw_profiles.mix( CENTRIFUGE_CENTRIFUGE.out.report )
     }
 
     if ( params.run_metaphlan3 ) {
         METAPHLAN3 ( ch_input_for_metaphlan3.reads, ch_input_for_metaphlan3.db )
-        ch_versions = ch_versions.mix( METAPHLAN3.out.versions.first() )
+        ch_versions        = ch_versions.mix( METAPHLAN3.out.versions.first() )
         ch_raw_profiles    = ch_raw_profiles.mix( METAPHLAN3.out.biom )
     }
 
 
     emit:
-    profiles = ch_raw_profiles    // channel: [ val(meta), [ reads ] ]
+    profiles = ch_raw_profiles    // channel: [ val(meta), [ reads ] ] - should be text files or biom
     versions = ch_versions          // channel: [ versions.yml ]
     mqc      = ch_multiqc_files
 }
diff --git a/subworkflows/local/shortread_postprocessing.nf b/subworkflows/local/shortread_postprocessing.nf
deleted file mode 100644
index 7fb0d70..0000000
--- a/subworkflows/local/shortread_postprocessing.nf
+++ /dev/null
@@ -1,39 +0,0 @@
-//
-// Perform read trimming and merging
-//
-
-
-include { SHORTREAD_FASTP             } from './shortread_fastp'
-include { SHORTREAD_ADAPTERREMOVAL    } from './shortread_adapterremoval'
-include { FASTQC as FASTQC_PROCESSED       } from '../../modules/nf-core/modules/fastqc/main'
-
-workflow SHORTREAD_POSTPROCESSING {
-    take:
-    input //  [ [ meta ], [ taxon_table/file ] ]
-
-    main:
-    ch_versions       = Channel.empty()
-    ch_multiqc_files  = Channel.empty()
-
-    if ( params.shortread_clipmerge_tool == "fastp" ) {
-        ch_processed_reads = SHORTREAD_FASTP ( reads ).reads
-        ch_versions        =  ch_versions.mix( SHORTREAD_FASTP.out.versions )
-        ch_multiqc_files   =  ch_multiqc_files.mix( SHORTREAD_FASTP.out.mqc )
-    } else if ( params.shortread_clipmerge_tool == "adapterremoval" ) {
-        ch_processed_reads = SHORTREAD_ADAPTERREMOVAL ( reads ).reads
-        ch_versions        = ch_versions.mix( SHORTREAD_ADAPTERREMOVAL.out.versions )
-        ch_multiqc_files   = ch_multiqc_files.mix( SHORTREAD_ADAPTERREMOVAL.out.mqc )
-    } else {
-        ch_processed_reads = reads
-    }
-
-    FASTQC_PROCESSED ( ch_processed_reads )
-    ch_versions = ch_versions.mix( FASTQC_PROCESSED.out.versions )
-    ch_multiqc_files = ch_multiqc_files.mix( FASTQC_PROCESSED.out.zip )
-
-    emit:
-    output   = output   // channel: [ val(meta), taxon_table ]
-    versions = ch_versions          // channel: [ versions.yml ]
-    mqc      = ch_multiqc_files
-}
-

From d0256ec9378eac0cad715fe364d997a84e9b312b Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sat, 16 Apr 2022 07:45:24 +0200
Subject: [PATCH 157/789] Prettier

---
 modules.json | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules.json b/modules.json
index 18c0e69..18dea60 100644
--- a/modules.json
+++ b/modules.json
@@ -56,4 +56,4 @@
             }
         }
     }
-}
\ No newline at end of file
+}

From 818d3bd053beb2a33730d91d8556c544ff94b417 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sun, 17 Apr 2022 17:53:22 +0200
Subject: [PATCH 158/789] Complete documentation for preprocessing subworkflows

---
 docs/usage.md | 107 ++++++++++++++++++++++++++++++++++++++++++++++++--
 1 file changed, 103 insertions(+), 4 deletions(-)

diff --git a/docs/usage.md b/docs/usage.md
index 239a55d..528aeef 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -10,6 +10,8 @@
 
 ## Samplesheet inputs
 
+nf-core/profiler can accept as input raw or preprocessed single- or paired-end short-read (e.g. Illumina) FASTQ files, long-read FASTQ files (e.g. Oxford Nanopore), or FASTA sequences (when accepted by a profiler).
+
 You will need to create a samplesheet with information about the samples you would like to analyse before running the pipeline. Use this parameter to specify its location. It has to be a comma-separated file with 6 columns, and a header row as shown in the examples below. Furthermother, nf-core/taxprofiler also requires a second comma-separated file of 3 columns with a header row as in the examples below.
 
 This samplesheet is then specified on the command line as follows:
@@ -20,7 +22,7 @@ This samplesheet is then specified on the command line as follows:
 
 ### Multiple runs of the same sample
 
-The `sample` identifiers have to be the same when you have re-sequenced the same sample more than once e.g. to increase sequencing depth. The pipeline will process reads before performing profiling. Below is an example for the same sample sequenced across 3 lanes:
+The `sample` identifiers have to be the same when you have re-sequenced the same sample more than once e.g. to increase sequencing depth. The pipeline will concatenate different runs FASTQ files of the same sample before performing profiling, when `--perform_runmerging` is supplied. Below is an example for the same sample sequenced across 3 lanes:
 
 ```console
 sample,run_accession,instrument_platform,fastq_1,fastq_2,fasta
@@ -36,7 +38,7 @@ sample,run_accession,instrument_platform,fastq_1,fastq_2,fasta
 
 The pipeline will auto-detect whether a sample is single- or paired-end using the information provided in the samplesheet. The samplesheet can have as many columns as you desire, however, there is a strict requirement for the first 6 columns to match those defined in the table below.
 
-A final samplesheet file consisting of both single- and paired-end data, as well as long-read FASTA fies may look something like the one below. This is for 6 samples, where `2612` has been sequenced twice.
+A final samplesheet file consisting of both single- and paired-end data, as well as long-read FASTA files may look something like the one below. This is for 6 samples, where `2612` has been sequenced twice.
 
 ```console
 2611,ERR5766174,ILLUMINA,,,/<path>/<to>/fasta/ERX5474930_ERR5766174_1.fa.gz
@@ -59,9 +61,11 @@ An [example samplesheet](../assets/samplesheet.csv) has been provided with the p
 
 ### Full database sheet
 
-nf-core/taxprofiler supports multiple databases being profiled in parallel for each tool. These databases, and specific parameters for each, can be specified in a 4 column comma-separated sheet.
+nf-core/taxprofiler supports multiple databases being profiled in parallel for each tool.
+Databases can be supplied either be in the form of a compressed `.tar.gz` archive of a folder containing all relevant database files or the path to an (uncompressed) directory.
+The pipelines takes the locations these of databases as input, and specific parameters for each, via a 4 column comma-separated sheet.
 
-> ⚠️ nf-core/taxprofiler does not provide any databases by default, nor does it currently generate them for you. This must be performed manually by the user.
+> ⚠️ nf-core/taxprofiler does not provide any databases by default, nor does it currently generate them for you. This must be performed manually by the user. See below for more information of the expected database files.
 
 An example database sheet can look as follows, where 4 tools are being used, and `malt` and `kraken2` will be used against two databases each.
 
@@ -86,6 +90,41 @@ Column specifications are as follows:
 
 > 💡 You can also specify the same database directory/file twice (ensuring unique `db_name`s) and specify different parameters for each database to compare the effect of different parameters during profiling.
 
+nf-core/taxprofiler will automatically decompress and extract any compressed archives for you.
+
+Expected (uncompressed) database files for each tool are as follows:
+
+- **MALT** output of `malt-build`. A directory containing:
+  - `ref.idx`
+  - `taxonomy.idx`
+  - `taxonomy.map`
+  - `index0.idx`
+  - `table0.idx`
+  - `table0.db`
+  - `ref.inf`
+  - `ref.db`
+  - `taxonomy.tre`
+- **Kraken2** output of `kraken2-build` command(s) A directory containing:
+  - `opts.k2d`
+  - `hash.k2d`
+  - `taxo.k2d`
+- **Centrifuge** output of `centrifuge-build`. A directory containing:
+  - `<database_name>.<number>.cf`
+  - `<database_name>.<number>.cf`
+  - `<database_name>.<number>.cf`
+  - `<database_name>.<number>.cf`
+- **MetaPhlAn3** generated with `metaphlan --install` or downloaded from links on the [MetaPhlAn3 wiki](https://github.com/biobakery/MetaPhlAn/wiki/MetaPhlAn-3.0#customizing-the-database). A directory containing:
+  - `mpa_v30_CHOCOPhlAn_201901.pkl`
+  - `mpa_v30_CHOCOPhlAn_201901.pkl`
+  - `mpa_v30_CHOCOPhlAn_201901.fasta`
+  - `mpa_v30_CHOCOPhlAn_201901.3.bt2`
+  - `mpa_v30_CHOCOPhlAn_201901.4.bt2`
+  - `mpa_v30_CHOCOPhlAn_201901.1.bt2`
+  - `mpa_v30_CHOCOPhlAn_201901.2.bt2`
+  - `mpa_v30_CHOCOPhlAn_201901.rev.1.bt2`
+  - `mpa_v30_CHOCOPhlAn_201901.rev.2.bt2`
+  - `mpa_latest`
+
 ## Running the pipeline
 
 The typical command for running the pipeline is as follows:
@@ -105,6 +144,66 @@ work                # Directory containing the nextflow working files
 # Other nextflow hidden files, eg. history of pipeline runs and old logs.
 ```
 
+### Preprocessing Steps
+
+nf-core/taxprofiler offers four main preprocessing steps
+
+- Read processing: adapter clipping and pair-merging.
+- Complexity filtering: removal of low-sequence complexity reads.
+- Host read-removal: removal of reads aligning to reference genome(s) of a host.
+- Run merging: concatenation of multiple FASTQ chunks/sequencing runs/libraries of a sample.
+
+#### Read Processing
+
+Raw sequencing read processing in the form of adapter clipping and paired-end read merging can be activated via the `--perform_shortread_clipmerge` or `--perform_longread_clip` flags.
+
+It is highly recommended to run this on raw reads to remove artefacts from sequencing that can cause false positive identification of taxa (e.g. contaminated reference genomes) and/or skews in taxonomic abundance profiles.
+
+There are currently two options for short-read preprocessing: `fastp` or `adapterremoval`.
+
+For adapter clipping, you can either rely on tool default adapter sequences, or supply your own adapters (`--shortread_clipmerge_adapter1` and `--shortread_clipmerge_adapter2`)
+By default, paired-end merging is not activated and paired-end profiling is performed where supported otherwise pairs will be independently profiled. If paired-end merging is activated you can also specify whether to exclude unmerged reads in the reads sent for profiling (`--shortread_clipmerge_mergepairs` and `--shortread_clipmerge_excludeunmerged`).
+You can also turn off clipping and only perform paired-end merging, if requested. This can be useful when processing data downloaded from the ENA, SRA, or DDBJ (--shortread_clipmerge_skipadaptertrim).
+Both tools support length filtering of reads and can be tuned with `--shortread_clipmerge_minlength`. Performing length filtering can be useful to remove short (often low sequencing complexity) sequences that result in unspecific classification and therefore slow down runtime during profiling, with minimal gain.
+
+There is currently one option for long-read Oxford Nanopore processing: `porechop`.
+
+For both short-read and long-read preprocessing, you can optionally save the resulting processed reads with `--save_preprocessed_reads`.
+
+#### Complexity Filtering
+
+Complexity filtering can be activated via the `--perform_shortread_complexityfilter` flag.
+
+Complexity filtering is primarily a run-time optimisation step. It is not necessary for accurate taxonomic profiling, however it can speed up run-time of each tool by removing reads with low-diversity of nucleotides (e.g. with mono-nucleotide - `AAAAAAAA`, or di-nucleotide repeats `GAGAGAGAGAGAGAG`) that have a low-chance of giving an informatic taxonomic ID as they can be associated with many different taxa. Removing these reads therefore saves computational time and resources.
+
+There are currently two options for short-read complexity filtering: [`bbduk`](https://jgi.doe.gov/data-and-tools/software-tools/bbtools/bb-tools-user-guide/bbduk-guide/) and [`prinseq++`](https://jgi.doe.gov/data-and-tools/software-tools/bbtools/bb-tools-user-guide/bbduk-guide/).
+
+The tools offer different algorithms and parameters for removing low complexity reads. We therefore recommend reviewing the pipeline's [parameter documentation](https://nf-co.re/taxprofiler/parameters) and the documentation of both tools (see links above) to decide on optimal methods and parameters for your dataset.
+
+You can optionally save the FASTQ output of the run merging with the `--save_complexityfiltered_reads`.
+
+#### Host Removal
+
+Removal of possible-host reads from FASTQ files prior profiling can be activated with `--perform_shortread_hostremoval`
+
+Similarly to complexity filtering, host-removal can be useful for runtime optimisation and reduction in misclassified reads. It is not always necessary to report classification of reads from a host when you already know the host of the sample, therefore you can gain a run-time and computational advantage by removing these prior typically resource-heavy profiling with more efficient methods. Furthermore, particularly with human samples, you can reduce the number of false positives during profiling that occur due to host-sequence contamination in reference genomes on public databases.
+
+nf-core/taxprofiler currently offers host-removal via alignment against a reference genome with Bowtie2, and the use of the unaligned reads for downstream profiling.
+
+You can supply your reference genome in FASTA format with `--shortread_hostremoval_reference`. You can also optionally supply a directory containing pre-indexed Bowtie2 index files with `--shortread_hostremoval_index`, however nf-core/taxprofiler will generate this for you if necessary.
+
+> 💡 If you have multiple taxa or sequences you wish to remove (e.g., the host genome and then also PhiX - common quality-control reagent during sequencing) you can simply concatenate the FASTAs of each taxa or sequences into a single reference file.
+
+#### Run Merging
+
+For samples that may have been sequenced over multiple runs, or for FASTQ files split into multiple chunks, you can activate the ability to merge across all runs or chunks with `--perform_runmerging`.
+
+For more information how to set up your input samplesheet, see [Multiple runs of the same sample](#multiple-runs-of-the-same-sample).
+
+Activating this functionality will concatenate togther the FASTQ files with the same sample name _after_ the optional preprocessing steps and prior profiling. Note that libraries with runs of different pairment types will **not** the different types merged together, and output files will indicate with a `_se` or `_pe` suffix to the sample name accordingly.
+
+You can optionally save the FASTQ output of the run merging with the `--save_runmerged_reads`.
+
 ### Updating the pipeline
 
 When you run the above command, Nextflow automatically pulls the pipeline code from GitHub and stores it as a cached version. When running the pipeline after this, it will always use the cached version if available - even if the pipeline has been updated since. To make sure that you're running the latest version of the pipeline, make sure that you regularly update the cached version of the pipeline:

From 457c13e8b74f4fef01f8631bbbdfb9583777760c Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sun, 17 Apr 2022 17:55:23 +0200
Subject: [PATCH 159/789] Add additional tips for host removal

---
 docs/usage.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/usage.md b/docs/usage.md
index 528aeef..919569c 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -190,7 +190,7 @@ Similarly to complexity filtering, host-removal can be useful for runtime optimi
 
 nf-core/taxprofiler currently offers host-removal via alignment against a reference genome with Bowtie2, and the use of the unaligned reads for downstream profiling.
 
-You can supply your reference genome in FASTA format with `--shortread_hostremoval_reference`. You can also optionally supply a directory containing pre-indexed Bowtie2 index files with `--shortread_hostremoval_index`, however nf-core/taxprofiler will generate this for you if necessary.
+You can supply your reference genome in FASTA format with `--shortread_hostremoval_reference`. You can also optionally supply a directory containing pre-indexed Bowtie2 index files with `--shortread_hostremoval_index`, however nf-core/taxprofiler will generate this for you if necessary. Pre-supplying the directory of index files can greatly speed up the process, and these can be re-used.
 
 > 💡 If you have multiple taxa or sequences you wish to remove (e.g., the host genome and then also PhiX - common quality-control reagent during sequencing) you can simply concatenate the FASTAs of each taxa or sequences into a single reference file.
 

From 2cfcdf2dd2bcc5141b0e7a6474dd27646fa6ee25 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sun, 17 Apr 2022 22:27:04 +0200
Subject: [PATCH 160/789] Add finer controler over for hostremoval saving

---
 conf/modules.config  | 20 ++++++++++++++++----
 nextflow.config      |  7 +++++--
 nextflow_schema.json | 39 ++++++++++++++++++++++++++++++++-------
 3 files changed, 53 insertions(+), 13 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index ccd1748..55119ff 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -133,21 +133,33 @@ process {
     }
 
     withName: BOWTIE2_BUILD {
-        ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [
             path: { "${params.outdir}/bowtie2/build" },
             mode: params.publish_dir_mode,
-            pattern: '*.bt2'
+            enabled: params.save_hostremoval_index,
+            pattern: 'bowtie2/*'
         ]
     }
 
     withName: BOWTIE2_ALIGN {
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
+        publishDir = [[
+            path: { "${params.outdir}/bowtie2/align" },
+            mode: params.publish_dir_mode,
+            pattern: '*.log'
+        ],
+        [
+            path: { "${params.outdir}/bowtie2/align" },
+            mode: params.publish_dir_mode,
+            enabled: params.save_hostremoval_mapped,
+            pattern: '*.bam'
+        ],
         publishDir = [
             path: { "${params.outdir}/bowtie2/align" },
             mode: params.publish_dir_mode,
-            pattern: '*.{fastq.gz,bam}'
-        ]
+            enabled: params.save_hostremoval_unmapped,
+            pattern: '*.fastq.gz'
+        ]]
     }
 
     withName: BBMAP_BBDUK {
diff --git a/nextflow.config b/nextflow.config
index bf3ca92..5616b0e 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -82,8 +82,11 @@ params {
 
     // Host Removal
     perform_shortread_hostremoval     = false
-    shortread_hostremoval_reference = null
-    shortread_hostremoval_index     = null
+    shortread_hostremoval_reference   = null
+    shortread_hostremoval_index       = null
+    save_hostremoval_index            = false
+    save_hostremoval_mapped           = false
+    save_hostremoval_unmapped         = false
 
     // MALT
     run_malt                   = false
diff --git a/nextflow_schema.json b/nextflow_schema.json
index cf0edab..7890517 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,7 +10,10 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["input", "outdir"],
+            "required": [
+                "input",
+                "outdir"
+            ],
             "properties": {
                 "input": {
                     "type": "string",
@@ -173,7 +176,14 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
+                    "enum": [
+                        "symlink",
+                        "rellink",
+                        "link",
+                        "copy",
+                        "copyNoFollow",
+                        "move"
+                    ],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -294,7 +304,10 @@
         "shortread_clipmerge_tool": {
             "type": "string",
             "default": "fastp",
-            "enum": ["fastp", "adapterremoval"]
+            "enum": [
+                "fastp",
+                "adapterremoval"
+            ]
         },
         "shortread_clipmerge_skipadaptertrim": {
             "type": "boolean"
@@ -335,7 +348,10 @@
         "shortread_complexityfilter_prinseqplusplus_mode": {
             "type": "string",
             "default": "entropy",
-            "enum": ["entropy", "dust"]
+            "enum": [
+                "entropy",
+                "dust"
+            ]
         },
         "shortread_complexityfilter_prinseqplusplus_dustscore": {
             "type": "number",
@@ -364,11 +380,20 @@
         },
         "shortread_hostremoval_reference": {
             "type": "string",
-            "default": null
+            "default": "None"
         },
         "shortread_hostremoval_index": {
             "type": "string",
-            "default": null
+            "default": "None"
+        },
+        "save_hostremoval_index": {
+            "type": "boolean"
+        },
+        "save_hostremoval_mapped": {
+            "type": "boolean"
+        },
+        "save_hostremoval_unmapped": {
+            "type": "boolean"
         }
     }
-}
+}
\ No newline at end of file

From b036ed5b7354df252bf819dfdd65771b8ebcfc98 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sun, 17 Apr 2022 22:28:18 +0200
Subject: [PATCH 161/789] Prettier

---
 nextflow_schema.json | 26 +++++---------------------
 1 file changed, 5 insertions(+), 21 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 7890517..c0d3597 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,10 +10,7 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": [
-                "input",
-                "outdir"
-            ],
+            "required": ["input", "outdir"],
             "properties": {
                 "input": {
                     "type": "string",
@@ -176,14 +173,7 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": [
-                        "symlink",
-                        "rellink",
-                        "link",
-                        "copy",
-                        "copyNoFollow",
-                        "move"
-                    ],
+                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -304,10 +294,7 @@
         "shortread_clipmerge_tool": {
             "type": "string",
             "default": "fastp",
-            "enum": [
-                "fastp",
-                "adapterremoval"
-            ]
+            "enum": ["fastp", "adapterremoval"]
         },
         "shortread_clipmerge_skipadaptertrim": {
             "type": "boolean"
@@ -348,10 +335,7 @@
         "shortread_complexityfilter_prinseqplusplus_mode": {
             "type": "string",
             "default": "entropy",
-            "enum": [
-                "entropy",
-                "dust"
-            ]
+            "enum": ["entropy", "dust"]
         },
         "shortread_complexityfilter_prinseqplusplus_dustscore": {
             "type": "number",
@@ -396,4 +380,4 @@
             "type": "boolean"
         }
     }
-}
\ No newline at end of file
+}

From 9880baa0b813a1d7721c9270224a37bb064a31fc Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 18 Apr 2022 06:37:23 +0200
Subject: [PATCH 162/789] Get build directory working

---
 conf/modules.config | 16 +++++++++-------
 1 file changed, 9 insertions(+), 7 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 55119ff..ba3c5c9 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -137,29 +137,31 @@ process {
             path: { "${params.outdir}/bowtie2/build" },
             mode: params.publish_dir_mode,
             enabled: params.save_hostremoval_index,
-            pattern: 'bowtie2/*'
+            pattern: 'bowtie2'
         ]
     }
 
     withName: BOWTIE2_ALIGN {
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
-        publishDir = [[
+        publishDir = [
+            [
             path: { "${params.outdir}/bowtie2/align" },
             mode: params.publish_dir_mode,
             pattern: '*.log'
-        ],
-        [
+            ],
+            [
             path: { "${params.outdir}/bowtie2/align" },
             mode: params.publish_dir_mode,
             enabled: params.save_hostremoval_mapped,
             pattern: '*.bam'
-        ],
-        publishDir = [
+            ],
+            [
             path: { "${params.outdir}/bowtie2/align" },
             mode: params.publish_dir_mode,
             enabled: params.save_hostremoval_unmapped,
             pattern: '*.fastq.gz'
-        ]]
+            ]
+        ]
     }
 
     withName: BBMAP_BBDUK {

From 564474cafeb77ed1e39d127ed4a08667a4522878 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 18 Apr 2022 07:21:12 +0200
Subject: [PATCH 163/789] Adds filtering and warning for non-FASTA supporting
 tool. Standardised warning messages.

---
 subworkflows/local/input_check.nf |  2 ++
 subworkflows/local/profiling.nf   |  8 ++++++++
 workflows/taxprofiler.nf          | 11 ++++++-----
 3 files changed, 16 insertions(+), 5 deletions(-)

diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index db46f2b..eb21b9d 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -45,6 +45,7 @@ def create_fastq_channel(LinkedHashMap row) {
     meta.run_accession          = row.run_accession
     meta.instrument_platform    = row.instrument_platform
     meta.single_end             = row.single_end.toBoolean()
+    meta.is_fasta               = false
 
     // add path(s) of the fastq file(s) to the meta map
     def fastq_meta = []
@@ -75,6 +76,7 @@ def create_fasta_channel(LinkedHashMap row) {
     meta.run_accession          = row.run_accession
     meta.instrument_platform    = row.instrument_platform
     meta.single_end             = true
+    meta.is_fasta               = true
 
     def array = []
     if (!file(row.fasta).exists()) {
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 18de739..f2f7eb7 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -75,6 +75,10 @@ workflow PROFILING {
                             }
 
     ch_input_for_centrifuge =  ch_input_for_profiling.centrifuge
+                            .filter{
+                                    if (it[0].is_fasta) log.warn "[nf-core/taxprofiler] Centrifuge does not accept FASTA files as input. Skipping Centrifuge for sample " + it[0].id
+                                    !it[0].is_fasta
+                            }
                                 .multiMap {
                                     it ->
                                         reads: [ it[0] + it[2], it[1] ]
@@ -82,6 +86,10 @@ workflow PROFILING {
                                 }
 
     ch_input_for_metaphlan3 = ch_input_for_profiling.metaphlan3
+                            .filter{
+                                    if (it[0].is_fasta) log.warn "[nf-core/taxprofiler] MetaPhlAn3 does not accept FASTA files as input. Skipping MetaPhlAn3 for sample " + it[0].id
+                                    !it[0].is_fasta
+                            }
                             .multiMap {
                                 it ->
                                     reads: [it[0] + it[2], it[1]]
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 9fe8cc8..e7ff78b 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -19,11 +19,11 @@ for (param in checkPathParamList) { if (param) { file(param, checkIfExists: true
 // Check mandatory parameters
 if (params.input    ) { ch_input     = file(params.input)     } else { exit 1, 'Input samplesheet not specified!' }
 if (params.databases) { ch_databases = file(params.databases) } else { exit 1, 'Input database sheet not specified!' }
-if (params.shortread_clipmerge_mergepairs && params.run_malt ) log.warn "[nf-core/taxprofiler] warning: MALT does not accept uncollapsed paired-reads. Pairs will be profiled as separate files."
-if (params.shortread_clipmerge_excludeunmerged && !params.shortread_clipmerge_mergepairs) exit 1, "[nf-core/taxprofiler] error: cannot include unmerged reads when merging not turned on. Please specify --shortread_clipmerge_mergepairs"
+if (params.shortread_clipmerge_mergepairs && params.run_malt ) log.warn "[nf-core/taxprofiler]: MALT does not accept uncollapsed paired-reads. Pairs will be profiled as separate files."
+if (params.shortread_clipmerge_excludeunmerged && !params.shortread_clipmerge_mergepairs) exit 1, "ERROR: [nf-core/taxprofiler] cannot include unmerged reads when merging not turned on. Please specify --shortread_clipmerge_mergepairs"
 
-if (params.perform_shortread_hostremoval && !params.shortread_hostremoval_reference) { exit 1, "[nf-core/taxprofiler] error: --shortread_hostremoval requested but no --shortread_hostremoval_reference FASTA supplied. Check input." }
-if (!params.shortread_hostremoval_reference && params.shortread_hostremoval_reference_index) { exit 1, "[nf-core/taxprofiler] error: --shortread_hostremoval_index provided but no --shortread_hostremoval_reference FASTA supplied. Check input." }
+if (params.perform_shortread_hostremoval && !params.shortread_hostremoval_reference) { exit 1, "ERROR: [nf-core/taxprofiler] --shortread_hostremoval requested but no --shortread_hostremoval_reference FASTA supplied. Check input." }
+if (!params.shortread_hostremoval_reference && params.shortread_hostremoval_reference_index) { exit 1, "ERROR: [nf-core/taxprofiler] --shortread_hostremoval_index provided but no --shortread_hostremoval_reference FASTA supplied. Check input." }
 
 if (params.shortread_hostremoval_reference ) { ch_reference       = file(params.shortread_hostremoval_reference) }
 if (params.shortread_hostremoval_index     ) { ch_reference_index = file(params.shortread_hostremoval_index    ) } else { ch_reference_index = [] }
@@ -175,10 +175,11 @@ workflow TAXPROFILER {
                 meta, reads ->
                 [ meta, [ reads ].flatten() ]
             }
-
+            .mix( INPUT_CHECK.out.fasta )
     } else {
         ch_reads_runmerged = ch_shortreads_hostremoved
             .mix( ch_longreads_preprocessed )
+            .mix( INPUT_CHECK.out.fasta )
     }
 
     /*

From 491c2d894967f76481b566758c40be369b448603 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 18 Apr 2022 07:26:15 +0200
Subject: [PATCH 164/789] Revert "Adds filtering and warning for non-FASTA
 supporting tool. Standardised warning messages."

This reverts commit 564474cafeb77ed1e39d127ed4a08667a4522878.
---
 subworkflows/local/input_check.nf |  2 --
 subworkflows/local/profiling.nf   |  8 --------
 workflows/taxprofiler.nf          | 11 +++++------
 3 files changed, 5 insertions(+), 16 deletions(-)

diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index eb21b9d..db46f2b 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -45,7 +45,6 @@ def create_fastq_channel(LinkedHashMap row) {
     meta.run_accession          = row.run_accession
     meta.instrument_platform    = row.instrument_platform
     meta.single_end             = row.single_end.toBoolean()
-    meta.is_fasta               = false
 
     // add path(s) of the fastq file(s) to the meta map
     def fastq_meta = []
@@ -76,7 +75,6 @@ def create_fasta_channel(LinkedHashMap row) {
     meta.run_accession          = row.run_accession
     meta.instrument_platform    = row.instrument_platform
     meta.single_end             = true
-    meta.is_fasta               = true
 
     def array = []
     if (!file(row.fasta).exists()) {
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index f2f7eb7..18de739 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -75,10 +75,6 @@ workflow PROFILING {
                             }
 
     ch_input_for_centrifuge =  ch_input_for_profiling.centrifuge
-                            .filter{
-                                    if (it[0].is_fasta) log.warn "[nf-core/taxprofiler] Centrifuge does not accept FASTA files as input. Skipping Centrifuge for sample " + it[0].id
-                                    !it[0].is_fasta
-                            }
                                 .multiMap {
                                     it ->
                                         reads: [ it[0] + it[2], it[1] ]
@@ -86,10 +82,6 @@ workflow PROFILING {
                                 }
 
     ch_input_for_metaphlan3 = ch_input_for_profiling.metaphlan3
-                            .filter{
-                                    if (it[0].is_fasta) log.warn "[nf-core/taxprofiler] MetaPhlAn3 does not accept FASTA files as input. Skipping MetaPhlAn3 for sample " + it[0].id
-                                    !it[0].is_fasta
-                            }
                             .multiMap {
                                 it ->
                                     reads: [it[0] + it[2], it[1]]
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index e7ff78b..9fe8cc8 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -19,11 +19,11 @@ for (param in checkPathParamList) { if (param) { file(param, checkIfExists: true
 // Check mandatory parameters
 if (params.input    ) { ch_input     = file(params.input)     } else { exit 1, 'Input samplesheet not specified!' }
 if (params.databases) { ch_databases = file(params.databases) } else { exit 1, 'Input database sheet not specified!' }
-if (params.shortread_clipmerge_mergepairs && params.run_malt ) log.warn "[nf-core/taxprofiler]: MALT does not accept uncollapsed paired-reads. Pairs will be profiled as separate files."
-if (params.shortread_clipmerge_excludeunmerged && !params.shortread_clipmerge_mergepairs) exit 1, "ERROR: [nf-core/taxprofiler] cannot include unmerged reads when merging not turned on. Please specify --shortread_clipmerge_mergepairs"
+if (params.shortread_clipmerge_mergepairs && params.run_malt ) log.warn "[nf-core/taxprofiler] warning: MALT does not accept uncollapsed paired-reads. Pairs will be profiled as separate files."
+if (params.shortread_clipmerge_excludeunmerged && !params.shortread_clipmerge_mergepairs) exit 1, "[nf-core/taxprofiler] error: cannot include unmerged reads when merging not turned on. Please specify --shortread_clipmerge_mergepairs"
 
-if (params.perform_shortread_hostremoval && !params.shortread_hostremoval_reference) { exit 1, "ERROR: [nf-core/taxprofiler] --shortread_hostremoval requested but no --shortread_hostremoval_reference FASTA supplied. Check input." }
-if (!params.shortread_hostremoval_reference && params.shortread_hostremoval_reference_index) { exit 1, "ERROR: [nf-core/taxprofiler] --shortread_hostremoval_index provided but no --shortread_hostremoval_reference FASTA supplied. Check input." }
+if (params.perform_shortread_hostremoval && !params.shortread_hostremoval_reference) { exit 1, "[nf-core/taxprofiler] error: --shortread_hostremoval requested but no --shortread_hostremoval_reference FASTA supplied. Check input." }
+if (!params.shortread_hostremoval_reference && params.shortread_hostremoval_reference_index) { exit 1, "[nf-core/taxprofiler] error: --shortread_hostremoval_index provided but no --shortread_hostremoval_reference FASTA supplied. Check input." }
 
 if (params.shortread_hostremoval_reference ) { ch_reference       = file(params.shortread_hostremoval_reference) }
 if (params.shortread_hostremoval_index     ) { ch_reference_index = file(params.shortread_hostremoval_index    ) } else { ch_reference_index = [] }
@@ -175,11 +175,10 @@ workflow TAXPROFILER {
                 meta, reads ->
                 [ meta, [ reads ].flatten() ]
             }
-            .mix( INPUT_CHECK.out.fasta )
+
     } else {
         ch_reads_runmerged = ch_shortreads_hostremoved
             .mix( ch_longreads_preprocessed )
-            .mix( INPUT_CHECK.out.fasta )
     }
 
     /*

From 6307a9cf4342a05fdc6cb2a127527a66d3993155 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 18 Apr 2022 07:28:09 +0200
Subject: [PATCH 165/789] Typos

---
 subworkflows/local/profiling.nf | 2 +-
 workflows/taxprofiler.nf        | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index f2f7eb7..156259b 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -76,7 +76,7 @@ workflow PROFILING {
 
     ch_input_for_centrifuge =  ch_input_for_profiling.centrifuge
                             .filter{
-                                    if (it[0].is_fasta) log.warn "[nf-core/taxprofiler] Centrifuge does not accept FASTA files as input. Skipping Centrifuge for sample " + it[0].id
+                                    if (it[0].is_fasta) log.warn "[nf-core/taxprofiler] Centrifuge currently does not accept FASTA files as input. Skipping Centrifuge for sample " + it[0].id
                                     !it[0].is_fasta
                             }
                                 .multiMap {
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index e7ff78b..884ee46 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -19,7 +19,7 @@ for (param in checkPathParamList) { if (param) { file(param, checkIfExists: true
 // Check mandatory parameters
 if (params.input    ) { ch_input     = file(params.input)     } else { exit 1, 'Input samplesheet not specified!' }
 if (params.databases) { ch_databases = file(params.databases) } else { exit 1, 'Input database sheet not specified!' }
-if (params.shortread_clipmerge_mergepairs && params.run_malt ) log.warn "[nf-core/taxprofiler]: MALT does not accept uncollapsed paired-reads. Pairs will be profiled as separate files."
+if (params.shortread_clipmerge_mergepairs && params.run_malt ) log.warn "[nf-core/taxprofiler] MALT does not accept uncollapsed paired-reads. Pairs will be profiled as separate files."
 if (params.shortread_clipmerge_excludeunmerged && !params.shortread_clipmerge_mergepairs) exit 1, "ERROR: [nf-core/taxprofiler] cannot include unmerged reads when merging not turned on. Please specify --shortread_clipmerge_mergepairs"
 
 if (params.perform_shortread_hostremoval && !params.shortread_hostremoval_reference) { exit 1, "ERROR: [nf-core/taxprofiler] --shortread_hostremoval requested but no --shortread_hostremoval_reference FASTA supplied. Check input." }

From 9f634805e402c99bd906c523fdbba3350f4086e4 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Mon, 18 Apr 2022 07:31:44 +0200
Subject: [PATCH 166/789] Update subworkflows/local/profiling.nf

---
 subworkflows/local/profiling.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 4e0a3a9..659430f 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -87,7 +87,7 @@ workflow PROFILING {
 
     ch_input_for_metaphlan3 = ch_input_for_profiling.metaphlan3
                             .filter{
-                                if (it[0].is_fasta) log.warn "[nf-core/taxprofiler] Centrifuge currently does not accept FASTA files as input. Skipping Centrifuge for sample " + it[0].id
+                                if (it[0].is_fasta) log.warn "[nf-core/taxprofiler] MetaPhlAn3 currently does not accept FASTA files as input. Skipping MetaPhlAn3 for sample " + it[0].id
                                 !it[0].is_fasta
                             }
                             .multiMap {

From ecaff371aa8047b1fea25f8b42fa7df1fc58e93b Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Mon, 18 Apr 2022 07:35:19 +0200
Subject: [PATCH 167/789] Update input_check.nf

---
 subworkflows/local/input_check.nf | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index db46f2b..eb21b9d 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -45,6 +45,7 @@ def create_fastq_channel(LinkedHashMap row) {
     meta.run_accession          = row.run_accession
     meta.instrument_platform    = row.instrument_platform
     meta.single_end             = row.single_end.toBoolean()
+    meta.is_fasta               = false
 
     // add path(s) of the fastq file(s) to the meta map
     def fastq_meta = []
@@ -75,6 +76,7 @@ def create_fasta_channel(LinkedHashMap row) {
     meta.run_accession          = row.run_accession
     meta.instrument_platform    = row.instrument_platform
     meta.single_end             = true
+    meta.is_fasta               = true
 
     def array = []
     if (!file(row.fasta).exists()) {

From 87777a428959bc89f4f6cfda956c43312d4b6d16 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Tue, 19 Apr 2022 12:54:57 +0200
Subject: [PATCH 168/789] Update subworkflows/local/profiling.nf

Co-authored-by: Moritz E. Beber <midnighter@posteo.net>
---
 subworkflows/local/profiling.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index d7532b7..5f9c111 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -106,7 +106,7 @@ workflow PROFILING {
                                             // when no pair-merging
                                             def meta_new = meta.clone()
                                             meta_new['db_name'] = meta.id
-                                            meta_new['id'] = rma.name - ( '.' + rma.extension )
+                                            meta_new['id'] = rma.baseName
                                         [ meta_new, rma ]
                                 }
 

From 1b7ff2265d146577c840399fcb167d032f98c88d Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Tue, 19 Apr 2022 13:04:58 +0200
Subject: [PATCH 169/789] Update usage.md, reformat test.config and
 modules.config

---
 conf/modules.config | 4 ++--
 conf/test.config    | 8 ++++----
 docs/usage.md       | 5 +++++
 3 files changed, 11 insertions(+), 6 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index f85df30..d9e9125 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -226,7 +226,7 @@ process {
             pattern: '*.txt'
         ]
         ext.args = { "${meta.db_params}" }
-        ext.prefix = { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
     }
 
     withName: CUSTOM_DUMPSOFTWAREVERSIONS {
@@ -252,6 +252,6 @@ process {
             pattern: '*.tsv'
         ]
         ext.args = { "${meta.db_params}" }
-        ext.prefix = { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
     }
 }
diff --git a/conf/test.config b/conf/test.config
index 884ff32..107beb5 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -24,14 +24,14 @@ params {
     // TODO nf-core: Give any required params for the test so that command line flags are not needed
     input                                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
     databases                             = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
-    run_kraken2                           = true
-    run_malt                              = true
-    run_metaphlan3                        = true
-    run_centrifuge                        = true
     perform_shortread_clipmerge           = true
     perform_longread_clip                 = false
     perform_shortread_complexityfilter    = true
     perform_shortread_hostremoval         = true
     shortread_hostremoval_reference       = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/homo_sapiens/genome/genome.fasta'
     run_kaiju                             = true
+    run_kraken2                           = true
+    run_malt                              = true
+    run_metaphlan3                        = true
+    run_centrifuge                        = true
 }
diff --git a/docs/usage.md b/docs/usage.md
index 239a55d..2b6937b 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -86,6 +86,11 @@ Column specifications are as follows:
 
 > 💡 You can also specify the same database directory/file twice (ensuring unique `db_name`s) and specify different parameters for each database to compare the effect of different parameters during profiling.
 
+## Profilers
+
+- `kaiju`
+  - The file `nodes.dmp` must be inside the database directory that is specified to `--databases` file
+
 ## Running the pipeline
 
 The typical command for running the pipeline is as follows:

From 4e1b1269be42b3547678ac1ec2905401b8e47ab0 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Tue, 19 Apr 2022 13:11:43 +0200
Subject: [PATCH 170/789] Apply prettier

---
 nextflow_schema.json | 24 ++++--------------------
 1 file changed, 4 insertions(+), 20 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 5fe371d..12c0bac 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,10 +10,7 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": [
-                "input",
-                "outdir"
-            ],
+            "required": ["input", "outdir"],
             "properties": {
                 "input": {
                     "type": "string",
@@ -176,14 +173,7 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": [
-                        "symlink",
-                        "rellink",
-                        "link",
-                        "copy",
-                        "copyNoFollow",
-                        "move"
-                    ],
+                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -304,10 +294,7 @@
         "shortread_clipmerge_tool": {
             "type": "string",
             "default": "fastp",
-            "enum": [
-                "fastp",
-                "adapterremoval"
-            ]
+            "enum": ["fastp", "adapterremoval"]
         },
         "shortread_clipmerge_skipadaptertrim": {
             "type": "boolean"
@@ -348,10 +335,7 @@
         "shortread_complexityfilter_prinseqplusplus_mode": {
             "type": "string",
             "default": "entropy",
-            "enum": [
-                "entropy",
-                "dust"
-            ]
+            "enum": ["entropy", "dust"]
         },
         "shortread_complexityfilter_prinseqplusplus_dustscore": {
             "type": "number",

From b7d0557ee08ff0aac70fc84f4c36bb6c881ddcc9 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Wed, 20 Apr 2022 09:15:45 +0200
Subject: [PATCH 171/789] Update subworkflows/local/profiling.nf

Co-authored-by: Moritz E. Beber <midnighter@posteo.net>
---
 subworkflows/local/profiling.nf | 4 +++-
 1 file changed, 3 insertions(+), 1 deletion(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 659430f..1968741 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -76,7 +76,9 @@ workflow PROFILING {
 
     ch_input_for_centrifuge =  ch_input_for_profiling.centrifuge
                             .filter{
-                                 if (it[0].is_fasta) log.warn "[nf-core/taxprofiler] Centrifuge currently does not accept FASTA files as input. Skipping Centrifuge for sample " + it[0].id
+                                 if (it[0].is_fasta) {
+                                      WorkflowTaxprofiler.logMessage("Centrifuge currently does not accept FASTA files as input. Skipping Centrifuge for sample ${it[0].id}.", log)
+                                 }
                                  !it[0].is_fasta
                             }
                             .multiMap {

From ac714dd30f758a0f419ad4155b296cdba5e8a80a Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Wed, 20 Apr 2022 09:22:10 +0200
Subject: [PATCH 172/789] Apply suggestions from code review

Co-authored-by: Moritz E. Beber <midnighter@posteo.net>
---
 docs/usage.md | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/docs/usage.md b/docs/usage.md
index 919569c..f4f11fb 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -10,7 +10,7 @@
 
 ## Samplesheet inputs
 
-nf-core/profiler can accept as input raw or preprocessed single- or paired-end short-read (e.g. Illumina) FASTQ files, long-read FASTQ files (e.g. Oxford Nanopore), or FASTA sequences (when accepted by a profiler).
+nf-core/taxprofiler can accept as input raw or preprocessed single- or paired-end short-read (e.g. Illumina) FASTQ files, long-read FASTQ files (e.g. Oxford Nanopore), or FASTA sequences (available for a subset of profilers).
 
 You will need to create a samplesheet with information about the samples you would like to analyse before running the pipeline. Use this parameter to specify its location. It has to be a comma-separated file with 6 columns, and a header row as shown in the examples below. Furthermother, nf-core/taxprofiler also requires a second comma-separated file of 3 columns with a header row as in the examples below.
 
@@ -62,8 +62,8 @@ An [example samplesheet](../assets/samplesheet.csv) has been provided with the p
 ### Full database sheet
 
 nf-core/taxprofiler supports multiple databases being profiled in parallel for each tool.
-Databases can be supplied either be in the form of a compressed `.tar.gz` archive of a folder containing all relevant database files or the path to an (uncompressed) directory.
-The pipelines takes the locations these of databases as input, and specific parameters for each, via a 4 column comma-separated sheet.
+Databases can be supplied either in the form of a compressed `.tar.gz` archive of a directory containing all relevant database files or the path to a directory on the filesystem.
+The pipeline takes the locations and specific parameters of these databases as input via a four column comma-separated sheet.
 
 > ⚠️ nf-core/taxprofiler does not provide any databases by default, nor does it currently generate them for you. This must be performed manually by the user. See below for more information of the expected database files.
 
@@ -163,7 +163,7 @@ There are currently two options for short-read preprocessing: `fastp` or `adapte
 
 For adapter clipping, you can either rely on tool default adapter sequences, or supply your own adapters (`--shortread_clipmerge_adapter1` and `--shortread_clipmerge_adapter2`)
 By default, paired-end merging is not activated and paired-end profiling is performed where supported otherwise pairs will be independently profiled. If paired-end merging is activated you can also specify whether to exclude unmerged reads in the reads sent for profiling (`--shortread_clipmerge_mergepairs` and `--shortread_clipmerge_excludeunmerged`).
-You can also turn off clipping and only perform paired-end merging, if requested. This can be useful when processing data downloaded from the ENA, SRA, or DDBJ (--shortread_clipmerge_skipadaptertrim).
+You can also turn off clipping and only perform paired-end merging, if requested. This can be useful when processing data downloaded from the ENA, SRA, or DDBJ (`--shortread_clipmerge_skipadaptertrim`).
 Both tools support length filtering of reads and can be tuned with `--shortread_clipmerge_minlength`. Performing length filtering can be useful to remove short (often low sequencing complexity) sequences that result in unspecific classification and therefore slow down runtime during profiling, with minimal gain.
 
 There is currently one option for long-read Oxford Nanopore processing: `porechop`.
@@ -174,7 +174,7 @@ For both short-read and long-read preprocessing, you can optionally save the res
 
 Complexity filtering can be activated via the `--perform_shortread_complexityfilter` flag.
 
-Complexity filtering is primarily a run-time optimisation step. It is not necessary for accurate taxonomic profiling, however it can speed up run-time of each tool by removing reads with low-diversity of nucleotides (e.g. with mono-nucleotide - `AAAAAAAA`, or di-nucleotide repeats `GAGAGAGAGAGAGAG`) that have a low-chance of giving an informatic taxonomic ID as they can be associated with many different taxa. Removing these reads therefore saves computational time and resources.
+Complexity filtering is primarily a run-time optimisation step. It is not necessary for accurate taxonomic profiling, however it can speed up run-time of each tool by removing reads with low-diversity of nucleotides (e.g. with mono-nucleotide - `AAAAAAAA`, or di-nucleotide repeats `GAGAGAGAGAGAGAG`) that have a low-chance of giving an informative taxonomic ID as they can be associated with many different taxa. Removing these reads therefore saves computational time and resources.
 
 There are currently two options for short-read complexity filtering: [`bbduk`](https://jgi.doe.gov/data-and-tools/software-tools/bbtools/bb-tools-user-guide/bbduk-guide/) and [`prinseq++`](https://jgi.doe.gov/data-and-tools/software-tools/bbtools/bb-tools-user-guide/bbduk-guide/).
 
@@ -200,7 +200,7 @@ For samples that may have been sequenced over multiple runs, or for FASTQ files
 
 For more information how to set up your input samplesheet, see [Multiple runs of the same sample](#multiple-runs-of-the-same-sample).
 
-Activating this functionality will concatenate togther the FASTQ files with the same sample name _after_ the optional preprocessing steps and prior profiling. Note that libraries with runs of different pairment types will **not** the different types merged together, and output files will indicate with a `_se` or `_pe` suffix to the sample name accordingly.
+Activating this functionality will concatenate the FASTQ files with the same sample name _after_ the optional preprocessing steps and _before_ profiling. Note that libraries with runs of different pairing types will **not** be merged and this will be indicated on output files with a `_se` or `_pe` suffix to the sample name accordingly.
 
 You can optionally save the FASTQ output of the run merging with the `--save_runmerged_reads`.
 

From 60d232d62ce42f77df45ceaf71a04751960cbf7d Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 20 Apr 2022 09:23:38 +0200
Subject: [PATCH 173/789] Revert "Update subworkflows/local/profiling.nf"

This reverts commit b7d0557ee08ff0aac70fc84f4c36bb6c881ddcc9.
---
 subworkflows/local/profiling.nf | 4 +---
 1 file changed, 1 insertion(+), 3 deletions(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 1968741..659430f 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -76,9 +76,7 @@ workflow PROFILING {
 
     ch_input_for_centrifuge =  ch_input_for_profiling.centrifuge
                             .filter{
-                                 if (it[0].is_fasta) {
-                                      WorkflowTaxprofiler.logMessage("Centrifuge currently does not accept FASTA files as input. Skipping Centrifuge for sample ${it[0].id}.", log)
-                                 }
+                                 if (it[0].is_fasta) log.warn "[nf-core/taxprofiler] Centrifuge currently does not accept FASTA files as input. Skipping Centrifuge for sample " + it[0].id
                                  !it[0].is_fasta
                             }
                             .multiMap {

From 9fd94b13892018963ed387e8f425e295af5e4d61 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 20 Apr 2022 09:25:54 +0200
Subject: [PATCH 174/789] Switch to string interpolation

---
 subworkflows/local/profiling.nf | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 659430f..87bea1a 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -76,18 +76,18 @@ workflow PROFILING {
 
     ch_input_for_centrifuge =  ch_input_for_profiling.centrifuge
                             .filter{
-                                 if (it[0].is_fasta) log.warn "[nf-core/taxprofiler] Centrifuge currently does not accept FASTA files as input. Skipping Centrifuge for sample " + it[0].id
-                                 !it[0].is_fasta
+                                if (it[0].is_fasta) log.warn "[nf-core/taxprofiler] Centrifuge currently does not accept FASTA files as input. Skipping Centrifuge for sample ${it[0].id}."
+                                !it[0].is_fasta
                             }
                             .multiMap {
                                 it ->
-                                   reads: [ it[0] + it[2], it[1] ]
-                                   db: it[3]
+                                    reads: [ it[0] + it[2], it[1] ]
+                                    db: it[3]
                             }
 
     ch_input_for_metaphlan3 = ch_input_for_profiling.metaphlan3
                             .filter{
-                                if (it[0].is_fasta) log.warn "[nf-core/taxprofiler] MetaPhlAn3 currently does not accept FASTA files as input. Skipping MetaPhlAn3 for sample " + it[0].id
+                                if (it[0].is_fasta) log.warn "[nf-core/taxprofiler] MetaPhlAn3 currently does not accept FASTA files as input. Skipping MetaPhlAn3 for sample ${it[0].id}."
                                 !it[0].is_fasta
                             }
                             .multiMap {

From d031322c16aca1c2a6dcd4103c17a097db3f136f Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Wed, 20 Apr 2022 13:41:01 +0200
Subject: [PATCH 175/789] Update test.config

---
 conf/test.config | 6 ++++++
 1 file changed, 6 insertions(+)

diff --git a/conf/test.config b/conf/test.config
index 107beb5..0bd09ab 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -34,4 +34,10 @@ params {
     run_malt                              = true
     run_metaphlan3                        = true
     run_centrifuge                        = true
+ }
+
+process {
+    withName: MALT_RUN {
+        maxForks = 1
+    }
 }

From d850333e11db1d1fb4807b15b94c9e8332a71cac Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Wed, 20 Apr 2022 13:42:26 +0200
Subject: [PATCH 176/789] Linting

---
 conf/test.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/conf/test.config b/conf/test.config
index 0bd09ab..ecf55bd 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -34,7 +34,7 @@ params {
     run_malt                              = true
     run_metaphlan3                        = true
     run_centrifuge                        = true
- }
+}
 
 process {
     withName: MALT_RUN {

From c00ca1c2b80a9032f66dd068c2f51cb42090a55d Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Fri, 22 Apr 2022 15:24:10 +0200
Subject: [PATCH 177/789] Add centrifuge kreport in taxprofiler

---
 conf/modules.config                           | 10 +++++
 modules.json                                  | 11 +++--
 .../modules/centrifuge/kreport/main.nf        | 33 +++++++++++++++
 .../modules/centrifuge/kreport/meta.yml       | 41 +++++++++++++++++++
 nextflow.config                               |  1 +
 nextflow_schema.json                          | 27 ++++++++++--
 subworkflows/local/profiling.nf               |  4 +-
 7 files changed, 118 insertions(+), 9 deletions(-)
 create mode 100644 modules/nf-core/modules/centrifuge/kreport/main.nf
 create mode 100644 modules/nf-core/modules/centrifuge/kreport/meta.yml

diff --git a/conf/modules.config b/conf/modules.config
index 5b9a815..19cfef7 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -254,6 +254,16 @@ process {
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
     }
 
+    withName: CENTRIFUGE_KREPORT {
+        ext.args = { "${meta.db_params}" }
+        ext.prefix = { "${meta.id}" }
+        publishDir = [
+            path: { "${params.outdir}/centrifuge/${meta.db_name}" },
+            mode: params.publish_dir_mode,
+            pattern: '*.{txt}'
+        ]
+    }
+
     withName: CUSTOM_DUMPSOFTWAREVERSIONS {
         publishDir = [
             path: { "${params.outdir}/pipeline_info" },
diff --git a/modules.json b/modules.json
index d6be2da..6fc4f51 100644
--- a/modules.json
+++ b/modules.json
@@ -21,6 +21,9 @@
             "centrifuge/centrifuge": {
                 "git_sha": "d2726fcf75063960f06b36d2229a4c0966614108"
             },
+            "centrifuge/kreport": {
+                "git_sha": "be4ae28c3c95b3c4047a7d9fb4cb0ed749631cea"
+            },
             "custom/dumpsoftwareversions": {
                 "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
             },
@@ -30,6 +33,9 @@
             "fastqc": {
                 "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
             },
+            "kaiju/kaiju": {
+                "git_sha": "8856f127c58f6af479128be8b8df4d42e442ddbe"
+            },
             "kraken2/kraken2": {
                 "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
             },
@@ -53,10 +59,7 @@
             },
             "untar": {
                 "git_sha": "e080f4c8acf5760039ed12ec1f206170f3f9a918"
-            },
-            "kaiju/kaiju": {
-                "git_sha": "8856f127c58f6af479128be8b8df4d42e442ddbe"
             }
         }
     }
-}
+}
\ No newline at end of file
diff --git a/modules/nf-core/modules/centrifuge/kreport/main.nf b/modules/nf-core/modules/centrifuge/kreport/main.nf
new file mode 100644
index 0000000..124cbdb
--- /dev/null
+++ b/modules/nf-core/modules/centrifuge/kreport/main.nf
@@ -0,0 +1,33 @@
+process CENTRIFUGE_KREPORT {
+    tag "$meta.id"
+    label 'process_low'
+
+    conda (params.enable_conda ? "bioconda::centrifuge=1.0.4_beta" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/centrifuge:1.0.4_beta--h9a82719_6':
+        'quay.io/biocontainers/centrifuge:1.0.4_beta--h9a82719_6' }"
+
+    input:
+    tuple val(meta), path(results)
+    path db
+
+    output:
+    tuple val(meta), path('*.txt')                , emit: kreport
+    path "versions.yml"                                  , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    """
+    db_name=`find -L ${db} -name "*.1.cf" -not -name "._*"  | sed 's/.1.cf//'`
+    centrifuge-kreport -x \$db_name ${results} > ${prefix}.txt
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        centrifuge: \$( centrifuge --version  | sed -n 1p | sed 's/^.*centrifuge-class version //')
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/modules/centrifuge/kreport/meta.yml b/modules/nf-core/modules/centrifuge/kreport/meta.yml
new file mode 100644
index 0000000..fbcae24
--- /dev/null
+++ b/modules/nf-core/modules/centrifuge/kreport/meta.yml
@@ -0,0 +1,41 @@
+name: "centrifuge_kreport"
+description: Creates Kraken-style reports from centrifuge out files
+keywords:
+  - metagenomics
+tools:
+  - centrifuge:
+      description: Centrifuge is a classifier for metagenomic sequences.
+      homepage: https://ccb.jhu.edu/software/centrifuge/
+      documentation: https://ccb.jhu.edu/software/centrifuge/manual.shtml
+      doi: 10.1101/gr.210641.116
+      licence: ["GPL v3"]
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - results:
+      type: file
+      description: File containing the centrifuge classification results
+      pattern: "*.{txt}"
+
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+  - kreport:
+      type: file
+      description: |
+        File containing kraken-style report from centrifuge
+        out files.
+      pattern: "*.{txt}"
+authors:
+  - "@sofstam"
+  - "@jfy133"
diff --git a/nextflow.config b/nextflow.config
index 43aaae8..61b4905 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -98,6 +98,7 @@ params {
 
     // centrifuge
     run_centrifuge             = false
+    centrifuge_kreport         = false
     centrifuge_save_unaligned  = false
     centrifuge_save_aligned    = false
     centrifuge_sam_format      = false
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 2181cce..f5822db 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,7 +10,10 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["input", "outdir"],
+            "required": [
+                "input",
+                "outdir"
+            ],
             "properties": {
                 "input": {
                     "type": "string",
@@ -173,7 +176,14 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
+                    "enum": [
+                        "symlink",
+                        "rellink",
+                        "link",
+                        "copy",
+                        "copyNoFollow",
+                        "move"
+                    ],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -294,7 +304,10 @@
         "shortread_clipmerge_tool": {
             "type": "string",
             "default": "fastp",
-            "enum": ["fastp", "adapterremoval"]
+            "enum": [
+                "fastp",
+                "adapterremoval"
+            ]
         },
         "shortread_clipmerge_skipadaptertrim": {
             "type": "boolean"
@@ -335,7 +348,10 @@
         "shortread_complexityfilter_prinseqplusplus_mode": {
             "type": "string",
             "default": "entropy",
-            "enum": ["entropy", "dust"]
+            "enum": [
+                "entropy",
+                "dust"
+            ]
         },
         "shortread_complexityfilter_prinseqplusplus_dustscore": {
             "type": "number",
@@ -384,6 +400,9 @@
         },
         "malt_generatemegansummary": {
             "type": "boolean"
+        },
+        "centrifuge_kreport": {
+            "type": "boolean"
         }
     }
 }
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 8d19bfe..1369f4c 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -6,6 +6,7 @@ include { MALT_RUN                    } from '../../modules/nf-core/modules/malt
 include { MEGAN_RMA2INFO              } from '../../modules/nf-core/modules/megan/rma2info/main'
 include { KRAKEN2_KRAKEN2             } from '../../modules/nf-core/modules/kraken2/kraken2/main'
 include { CENTRIFUGE_CENTRIFUGE       } from '../../modules/nf-core/modules/centrifuge/centrifuge/main'
+include { CENTRIFUGE_KREPORT          } from '../../modules/nf-core/modules/centrifuge/kreport/main'
 include { METAPHLAN3                  } from '../../modules/nf-core/modules/metaphlan3/main'
 include { KAIJU_KAIJU                 } from '../../modules/nf-core/modules/kaiju/kaiju/main'
 
@@ -142,8 +143,9 @@ workflow PROFILING {
 
     if ( params.run_centrifuge ) {
         CENTRIFUGE_CENTRIFUGE ( ch_input_for_centrifuge.reads, ch_input_for_centrifuge.db, params.centrifuge_save_unaligned, params.centrifuge_save_aligned, params.centrifuge_sam_format  )
+        CENTRIFUGE_KREPORT (CENTRIFUGE_CENTRIFUGE.out.results, ch_input_for_centrifuge.db)
         ch_versions        = ch_versions.mix( CENTRIFUGE_CENTRIFUGE.out.versions.first() )
-        ch_raw_profiles    = ch_raw_profiles.mix( CENTRIFUGE_CENTRIFUGE.out.report )
+        ch_raw_profiles    = ch_raw_profiles.mix( CENTRIFUGE_KREPORT.out.kreport )
     }
 
     if ( params.run_metaphlan3 ) {

From cda12749181128267b721e1931018e1c67bbf1a6 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sat, 23 Apr 2022 06:47:59 +0200
Subject: [PATCH 178/789] Moves ordering of modules/subworkflow versions mixing
 to before custom_dumpsoftwareversions mix, otherwise not used in collectFile

---
 workflows/taxprofiler.nf | 22 +++++++++-------------
 1 file changed, 9 insertions(+), 13 deletions(-)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 3ae1351..9981ca4 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -111,8 +111,8 @@ workflow TAXPROFILER {
         SUBWORKFLOW: PERFORM PREPROCESSING
     */
     if ( params.perform_shortread_clipmerge ) {
-
         ch_shortreads_preprocessed = SHORTREAD_PREPROCESSING ( INPUT_CHECK.out.fastq ).reads
+        ch_versions = ch_versions.mix( SHORTREAD_PREPROCESSING.out.versions )
     } else {
         ch_shortreads_preprocessed = INPUT_CHECK.out.fastq
     }
@@ -120,7 +120,7 @@ workflow TAXPROFILER {
     if ( params.perform_longread_clip ) {
         ch_longreads_preprocessed = LONGREAD_PREPROCESSING ( INPUT_CHECK.out.nanopore ).reads
                                         .map { it -> [ it[0], [it[1]] ] }
-        ch_versions = ch_versions.mix(LONGREAD_PREPROCESSING.out.versions.first())
+        ch_versions = ch_versions.mix( LONGREAD_PREPROCESSING.out.versions )
     } else {
         ch_longreads_preprocessed = INPUT_CHECK.out.nanopore
     }
@@ -131,6 +131,7 @@ workflow TAXPROFILER {
 
     if ( params.perform_shortread_complexityfilter ) {
         ch_shortreads_filtered = SHORTREAD_COMPLEXITYFILTERING ( ch_shortreads_preprocessed ).reads
+        ch_versions = ch_versions.mix( SHORTREAD_COMPLEXITYFILTERING.out.versions )
     } else {
         ch_shortreads_filtered = ch_shortreads_preprocessed
     }
@@ -141,7 +142,7 @@ workflow TAXPROFILER {
 
     if ( params.perform_shortread_hostremoval ) {
         ch_shortreads_hostremoved = SHORTREAD_HOSTREMOVAL ( ch_shortreads_filtered, ch_reference, ch_reference_index ).reads
-        ch_versions = ch_versions.mix(SHORTREAD_HOSTREMOVAL.out.versions.first())
+        ch_versions = ch_versions.mix(SHORTREAD_HOSTREMOVAL.out.versions)
     } else {
         ch_shortreads_hostremoved = ch_shortreads_filtered
     }
@@ -177,6 +178,8 @@ workflow TAXPROFILER {
             }
             .mix( INPUT_CHECK.out.fasta )
 
+        ch_versions = ch_versions.mix(CAT_FASTQ.out.versions)
+
     } else {
         ch_reads_runmerged = ch_shortreads_hostremoved
             .mix( ch_longreads_preprocessed, INPUT_CHECK.out.fasta )
@@ -193,8 +196,10 @@ workflow TAXPROFILER {
         MODULE: MultiQC
     */
 
+    ch_versions    = ch_versions.mix(MULTIQC.out.versions)
+
     CUSTOM_DUMPSOFTWAREVERSIONS (
-        ch_versions.unique().collectFile(name: 'collated_versions.yml')
+        ch_versions.dump(tag: "software_versions_beforeuniqe").unique().dump(tag: "software_versions").collectFile(name: 'collated_versions.yml')
     )
 
 
@@ -210,26 +215,18 @@ workflow TAXPROFILER {
 
     if (params.perform_shortread_clipmerge) {
         ch_multiqc_files = ch_multiqc_files.mix( SHORTREAD_PREPROCESSING.out.mqc.collect{it[1]}.ifEmpty([]) )
-        ch_versions = ch_versions.mix( SHORTREAD_PREPROCESSING.out.versions )
     }
 
     if (params.perform_longread_clip) {
         ch_multiqc_files = ch_multiqc_files.mix( LONGREAD_PREPROCESSING.out.mqc.collect{it[1]}.ifEmpty([]) )
-        ch_versions = ch_versions.mix( LONGREAD_PREPROCESSING.out.versions )
     }
 
     if (params.perform_shortread_complexityfilter){
         ch_multiqc_files = ch_multiqc_files.mix( SHORTREAD_COMPLEXITYFILTERING.out.mqc.collect{it[1]}.ifEmpty([]) )
-        ch_versions = ch_versions.mix( SHORTREAD_COMPLEXITYFILTERING.out.versions )
     }
 
     if (params.perform_shortread_hostremoval) {
         ch_multiqc_files = ch_multiqc_files.mix(SHORTREAD_HOSTREMOVAL.out.mqc.collect{it[1]}.ifEmpty([]))
-        ch_versions = ch_versions.mix(SHORTREAD_HOSTREMOVAL.out.versions)
-    }
-
-    if (params.perform_runmerging){
-        ch_versions = ch_versions.mix(CAT_FASTQ.out.versions)
     }
 
     ch_multiqc_files = ch_multiqc_files.mix( PROFILING.out.mqc )
@@ -239,7 +236,6 @@ workflow TAXPROFILER {
         ch_multiqc_files.collect()
     )
     multiqc_report = MULTIQC.out.report.toList()
-    ch_versions    = ch_versions.mix(MULTIQC.out.versions)
 }
 
 /*

From 06b38f3699edd49d1d4a25e02196e012d9221dba Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sat, 23 Apr 2022 08:36:01 +0200
Subject: [PATCH 179/789] Fix crash, add missing versions

---
 subworkflows/local/db_check.nf  | 2 +-
 subworkflows/local/profiling.nf | 2 +-
 workflows/taxprofiler.nf        | 5 ++---
 3 files changed, 4 insertions(+), 5 deletions(-)

diff --git a/subworkflows/local/db_check.nf b/subworkflows/local/db_check.nf
index a718fa9..f3464d5 100644
--- a/subworkflows/local/db_check.nf
+++ b/subworkflows/local/db_check.nf
@@ -34,7 +34,7 @@ workflow DB_CHECK {
 
     emit:
     dbs = ch_final_dbs                        // channel: [ val(meta), [ db ] ]
-    versions = DATABASE_CHECK.out.versions // channel: [ versions.yml ]
+    versions = DATABASE_CHECK.out.versions.mix(UNTAR.out.versions.first()) // channel: [ versions.yml ]
 }
 
 def create_db_channels(LinkedHashMap row) {
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 8d19bfe..a5afaaf 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -129,7 +129,7 @@ workflow PROFILING {
 
         MEGAN_RMA2INFO (ch_maltrun_for_megan, params.malt_generatemegansummary )
         ch_multiqc_files   = ch_multiqc_files.mix( MALT_RUN.out.log.collect{it[1]}.ifEmpty([])  )
-        ch_versions        = ch_versions.mix( MALT_RUN.out.versions.first() )
+        ch_versions        = ch_versions.mix( MALT_RUN.out.versions.first(), MEGAN_RMA2INFO.out.versions.first() )
         ch_raw_profiles    = ch_raw_profiles.mix( MEGAN_RMA2INFO.out.txt )
     }
 
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 9981ca4..a0046b2 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -196,10 +196,8 @@ workflow TAXPROFILER {
         MODULE: MultiQC
     */
 
-    ch_versions    = ch_versions.mix(MULTIQC.out.versions)
-
     CUSTOM_DUMPSOFTWAREVERSIONS (
-        ch_versions.dump(tag: "software_versions_beforeuniqe").unique().dump(tag: "software_versions").collectFile(name: 'collated_versions.yml')
+        ch_versions.unique().collectFile(name: 'collated_versions.yml')
     )
 
 
@@ -236,6 +234,7 @@ workflow TAXPROFILER {
         ch_multiqc_files.collect()
     )
     multiqc_report = MULTIQC.out.report.toList()
+    ch_versions    = ch_versions.mix(MULTIQC.out.versions)
 }
 
 /*

From e7e24c2d95c43d28c024817b0ebf67b2a9febf75 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Mon, 25 Apr 2022 09:21:29 +0200
Subject: [PATCH 180/789] Prettier and suggestions from review

---
 conf/modules.config | 2 +-
 nextflow.config     | 1 -
 2 files changed, 1 insertion(+), 2 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 19cfef7..5c5de54 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -256,7 +256,7 @@ process {
 
     withName: CENTRIFUGE_KREPORT {
         ext.args = { "${meta.db_params}" }
-        ext.prefix = { "${meta.id}" }
+        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
             path: { "${params.outdir}/centrifuge/${meta.db_name}" },
             mode: params.publish_dir_mode,
diff --git a/nextflow.config b/nextflow.config
index 61b4905..43aaae8 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -98,7 +98,6 @@ params {
 
     // centrifuge
     run_centrifuge             = false
-    centrifuge_kreport         = false
     centrifuge_save_unaligned  = false
     centrifuge_save_aligned    = false
     centrifuge_sam_format      = false

From ba2479b95bf0cb07423dfff9c1a75db09ac3abff Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Mon, 25 Apr 2022 09:26:49 +0200
Subject: [PATCH 181/789] Prettier

---
 modules.json         |  2 +-
 nextflow_schema.json | 24 ++++--------------------
 2 files changed, 5 insertions(+), 21 deletions(-)

diff --git a/modules.json b/modules.json
index 6fc4f51..e9c1310 100644
--- a/modules.json
+++ b/modules.json
@@ -62,4 +62,4 @@
             }
         }
     }
-}
\ No newline at end of file
+}
diff --git a/nextflow_schema.json b/nextflow_schema.json
index f5822db..fe66308 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,10 +10,7 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": [
-                "input",
-                "outdir"
-            ],
+            "required": ["input", "outdir"],
             "properties": {
                 "input": {
                     "type": "string",
@@ -176,14 +173,7 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": [
-                        "symlink",
-                        "rellink",
-                        "link",
-                        "copy",
-                        "copyNoFollow",
-                        "move"
-                    ],
+                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -304,10 +294,7 @@
         "shortread_clipmerge_tool": {
             "type": "string",
             "default": "fastp",
-            "enum": [
-                "fastp",
-                "adapterremoval"
-            ]
+            "enum": ["fastp", "adapterremoval"]
         },
         "shortread_clipmerge_skipadaptertrim": {
             "type": "boolean"
@@ -348,10 +335,7 @@
         "shortread_complexityfilter_prinseqplusplus_mode": {
             "type": "string",
             "default": "entropy",
-            "enum": [
-                "entropy",
-                "dust"
-            ]
+            "enum": ["entropy", "dust"]
         },
         "shortread_complexityfilter_prinseqplusplus_dustscore": {
             "type": "number",

From d8a5c793e23315557ae0772a1a82db895ac5d536 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Mon, 25 Apr 2022 09:29:43 +0200
Subject: [PATCH 182/789] Remove parameter from nextflow_schema

---
 nextflow_schema.json | 29 +++++++++++++++++++++--------
 1 file changed, 21 insertions(+), 8 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index fe66308..f53e036 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,7 +10,10 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["input", "outdir"],
+            "required": [
+                "input",
+                "outdir"
+            ],
             "properties": {
                 "input": {
                     "type": "string",
@@ -173,7 +176,14 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
+                    "enum": [
+                        "symlink",
+                        "rellink",
+                        "link",
+                        "copy",
+                        "copyNoFollow",
+                        "move"
+                    ],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -294,7 +304,10 @@
         "shortread_clipmerge_tool": {
             "type": "string",
             "default": "fastp",
-            "enum": ["fastp", "adapterremoval"]
+            "enum": [
+                "fastp",
+                "adapterremoval"
+            ]
         },
         "shortread_clipmerge_skipadaptertrim": {
             "type": "boolean"
@@ -335,7 +348,10 @@
         "shortread_complexityfilter_prinseqplusplus_mode": {
             "type": "string",
             "default": "entropy",
-            "enum": ["entropy", "dust"]
+            "enum": [
+                "entropy",
+                "dust"
+            ]
         },
         "shortread_complexityfilter_prinseqplusplus_dustscore": {
             "type": "number",
@@ -384,9 +400,6 @@
         },
         "malt_generatemegansummary": {
             "type": "boolean"
-        },
-        "centrifuge_kreport": {
-            "type": "boolean"
         }
     }
-}
+}
\ No newline at end of file

From e3a613de00416b470ca69e6d36fd6d46c5d1c491 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Mon, 25 Apr 2022 09:32:25 +0200
Subject: [PATCH 183/789] Prettier

---
 nextflow_schema.json | 26 +++++---------------------
 1 file changed, 5 insertions(+), 21 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index f53e036..2181cce 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,10 +10,7 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": [
-                "input",
-                "outdir"
-            ],
+            "required": ["input", "outdir"],
             "properties": {
                 "input": {
                     "type": "string",
@@ -176,14 +173,7 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": [
-                        "symlink",
-                        "rellink",
-                        "link",
-                        "copy",
-                        "copyNoFollow",
-                        "move"
-                    ],
+                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -304,10 +294,7 @@
         "shortread_clipmerge_tool": {
             "type": "string",
             "default": "fastp",
-            "enum": [
-                "fastp",
-                "adapterremoval"
-            ]
+            "enum": ["fastp", "adapterremoval"]
         },
         "shortread_clipmerge_skipadaptertrim": {
             "type": "boolean"
@@ -348,10 +335,7 @@
         "shortread_complexityfilter_prinseqplusplus_mode": {
             "type": "string",
             "default": "entropy",
-            "enum": [
-                "entropy",
-                "dust"
-            ]
+            "enum": ["entropy", "dust"]
         },
         "shortread_complexityfilter_prinseqplusplus_dustscore": {
             "type": "number",
@@ -402,4 +386,4 @@
             "type": "boolean"
         }
     }
-}
\ No newline at end of file
+}

From d082d67bcb6e55dfcd46996b97a947819e86b3c7 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Mon, 25 Apr 2022 17:36:29 +0200
Subject: [PATCH 184/789] Add kaiju2table to taxprofiler

---
 conf/modules.config                           | 10 ++++
 modules.json                                  |  5 +-
 .../nf-core/modules/kaiju/kaiju2table/main.nf | 40 +++++++++++++++
 .../modules/kaiju/kaiju2table/meta.yml        | 50 +++++++++++++++++++
 nextflow.config                               |  1 +
 nextflow_schema.json                          | 30 +++++++++--
 subworkflows/local/profiling.nf               |  6 ++-
 7 files changed, 135 insertions(+), 7 deletions(-)
 create mode 100644 modules/nf-core/modules/kaiju/kaiju2table/main.nf
 create mode 100644 modules/nf-core/modules/kaiju/kaiju2table/meta.yml

diff --git a/conf/modules.config b/conf/modules.config
index 5c5de54..a72561d 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -289,4 +289,14 @@ process {
         ext.args = { "${meta.db_params}" }
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
     }
+
+        withName: KAIJU_KAIJU2TABLE {
+        ext.args = { "${meta.db_params}" }
+        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+        publishDir = [
+            path: { "${params.outdir}/kaiju/${meta.db_name}" },
+            mode: params.publish_dir_mode,
+            pattern: '*.{txt}'
+        ]
+    }
 }
diff --git a/modules.json b/modules.json
index e9c1310..9beb010 100644
--- a/modules.json
+++ b/modules.json
@@ -36,6 +36,9 @@
             "kaiju/kaiju": {
                 "git_sha": "8856f127c58f6af479128be8b8df4d42e442ddbe"
             },
+            "kaiju/kaiju2table": {
+                "git_sha": "538dbac98ba9c8f799536cd5a617195501439457"
+            },
             "kraken2/kraken2": {
                 "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
             },
@@ -62,4 +65,4 @@
             }
         }
     }
-}
+}
\ No newline at end of file
diff --git a/modules/nf-core/modules/kaiju/kaiju2table/main.nf b/modules/nf-core/modules/kaiju/kaiju2table/main.nf
new file mode 100644
index 0000000..00739d1
--- /dev/null
+++ b/modules/nf-core/modules/kaiju/kaiju2table/main.nf
@@ -0,0 +1,40 @@
+process KAIJU_KAIJU2TABLE {
+    tag "$meta.id"
+    label 'process_low'
+
+    conda (params.enable_conda ? "bioconda::kaiju=1.8.2" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/kaiju:1.8.2--h5b5514e_1':
+        'quay.io/biocontainers/kaiju:1.8.2--h2e03b76_0' }"
+
+    input:
+    tuple val(meta), path(results)
+    path db
+    val taxon_rank
+
+    output:
+    tuple val(meta), path('*.txt'), emit: summary
+    path "versions.yml"           , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    """
+    dbnodes=`find -L ${db} -name "*nodes.dmp"`
+    dbname=`find -L ${db} -name "*.fmi" -not -name "._*"`
+    kaiju2table   $args \\
+        -t \$dbnodes \\
+        -n \$dbname \\
+        -r ${taxon_rank} \\
+        -o ${prefix}.txt \\
+        ${results}
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        kaiju: \$(echo \$( kaiju -h 2>&1 | sed -n 1p | sed 's/^.*Kaiju //' ))
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/modules/kaiju/kaiju2table/meta.yml b/modules/nf-core/modules/kaiju/kaiju2table/meta.yml
new file mode 100644
index 0000000..bc3e85d
--- /dev/null
+++ b/modules/nf-core/modules/kaiju/kaiju2table/meta.yml
@@ -0,0 +1,50 @@
+name: "kaiju_kaiju2table"
+description: write your description here
+keywords:
+  - classify
+  - metagenomics
+tools:
+  - kaiju:
+      description: Fast and sensitive taxonomic classification for metagenomics
+      homepage: https://kaiju.binf.ku.dk/
+      documentation: https://github.com/bioinformatics-centre/kaiju/blob/master/README.md
+      tool_dev_url: https://github.com/bioinformatics-centre/kaiju
+      doi: "10.1038/ncomms11257"
+      licence: ["GNU GPL v3"]
+
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - results:
+      type: file
+      description: File containing the kaiju classification results
+      pattern: "*.{txt}"
+  - taxon_rank:
+      type: string
+      description: |
+        Taxonomic rank to display in report
+        pattern: "phylum|class|order|family|genus|species"
+
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+  - results:
+      type: file
+      description: |
+        Summary table for a given taxonomic rank
+      pattern: "*.{tsv}"
+
+authors:
+  - "@sofstam"
+  - "@talnor"
+  - "@jfy133"
diff --git a/nextflow.config b/nextflow.config
index 43aaae8..909da25 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -107,6 +107,7 @@ params {
 
     // kaiju
     run_kaiju                  = false
+    kaiju_taxon_name           = 'species'
 }
 
 // Load base.config by default for all pipelines
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 2181cce..9516b6a 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,7 +10,10 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["input", "outdir"],
+            "required": [
+                "input",
+                "outdir"
+            ],
             "properties": {
                 "input": {
                     "type": "string",
@@ -173,7 +176,14 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
+                    "enum": [
+                        "symlink",
+                        "rellink",
+                        "link",
+                        "copy",
+                        "copyNoFollow",
+                        "move"
+                    ],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -294,7 +304,10 @@
         "shortread_clipmerge_tool": {
             "type": "string",
             "default": "fastp",
-            "enum": ["fastp", "adapterremoval"]
+            "enum": [
+                "fastp",
+                "adapterremoval"
+            ]
         },
         "shortread_clipmerge_skipadaptertrim": {
             "type": "boolean"
@@ -335,7 +348,10 @@
         "shortread_complexityfilter_prinseqplusplus_mode": {
             "type": "string",
             "default": "entropy",
-            "enum": ["entropy", "dust"]
+            "enum": [
+                "entropy",
+                "dust"
+            ]
         },
         "shortread_complexityfilter_prinseqplusplus_dustscore": {
             "type": "number",
@@ -384,6 +400,10 @@
         },
         "malt_generatemegansummary": {
             "type": "boolean"
+        },
+        "kaiju_taxon_name": {
+            "type": "string",
+            "default": "species"
         }
     }
-}
+}
\ No newline at end of file
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index fcb2678..1f1d4da 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -9,6 +9,7 @@ include { CENTRIFUGE_CENTRIFUGE       } from '../../modules/nf-core/modules/cent
 include { CENTRIFUGE_KREPORT          } from '../../modules/nf-core/modules/centrifuge/kreport/main'
 include { METAPHLAN3                  } from '../../modules/nf-core/modules/metaphlan3/main'
 include { KAIJU_KAIJU                 } from '../../modules/nf-core/modules/kaiju/kaiju/main'
+include { KAIJU_KAIJU2TABLE           } from '../../modules/nf-core/modules/kaiju/kaiju2table/main'
 
 workflow PROFILING {
     take:
@@ -155,8 +156,11 @@ workflow PROFILING {
     }
 
     if ( params.run_kaiju ) {
-        KAIJU_KAIJU ( ch_input_for_kaiju.reads, ch_input_for_kaiju.db )
+        KAIJU_KAIJU ( ch_input_for_kaiju.reads, ch_input_for_kaiju.db)
+        KAIJU_KAIJU2TABLE (KAIJU_KAIJU.out.results, ch_input_for_kaiju.db, params.kaiju_taxon_name)
+        ch_multiqc_files = ch_multiqc_files.mix( KAIJU_KAIJU2TABLE.out.summary.collect{it[1]}.ifEmpty([])  )
         ch_versions = ch_versions.mix( KAIJU_KAIJU.out.versions.first() )
+        ch_raw_profiles = ch_raw_profiles.mix( KAIJU_KAIJU2TABLE.out.summary )
     }
 
     emit:

From f4480feb9bb5f76a7e12f84682d512d2932022d2 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Mon, 25 Apr 2022 17:45:26 +0200
Subject: [PATCH 185/789] Prettier

---
 modules.json         |  2 +-
 nextflow_schema.json | 26 +++++---------------------
 2 files changed, 6 insertions(+), 22 deletions(-)

diff --git a/modules.json b/modules.json
index 9beb010..ffcde5d 100644
--- a/modules.json
+++ b/modules.json
@@ -65,4 +65,4 @@
             }
         }
     }
-}
\ No newline at end of file
+}
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 9516b6a..93450d2 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,10 +10,7 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": [
-                "input",
-                "outdir"
-            ],
+            "required": ["input", "outdir"],
             "properties": {
                 "input": {
                     "type": "string",
@@ -176,14 +173,7 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": [
-                        "symlink",
-                        "rellink",
-                        "link",
-                        "copy",
-                        "copyNoFollow",
-                        "move"
-                    ],
+                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -304,10 +294,7 @@
         "shortread_clipmerge_tool": {
             "type": "string",
             "default": "fastp",
-            "enum": [
-                "fastp",
-                "adapterremoval"
-            ]
+            "enum": ["fastp", "adapterremoval"]
         },
         "shortread_clipmerge_skipadaptertrim": {
             "type": "boolean"
@@ -348,10 +335,7 @@
         "shortread_complexityfilter_prinseqplusplus_mode": {
             "type": "string",
             "default": "entropy",
-            "enum": [
-                "entropy",
-                "dust"
-            ]
+            "enum": ["entropy", "dust"]
         },
         "shortread_complexityfilter_prinseqplusplus_dustscore": {
             "type": "number",
@@ -406,4 +390,4 @@
             "default": "species"
         }
     }
-}
\ No newline at end of file
+}

From 7afda265c5c99149739a62dfc0449aad20582184 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Tue, 26 Apr 2022 11:27:18 +0200
Subject: [PATCH 186/789] Enumerating taxon

---
 nextflow_schema.json | 36 ++++++++++++++++++++++++++++++------
 1 file changed, 30 insertions(+), 6 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 93450d2..2fda6e1 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,7 +10,10 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["input", "outdir"],
+            "required": [
+                "input",
+                "outdir"
+            ],
             "properties": {
                 "input": {
                     "type": "string",
@@ -173,7 +176,14 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
+                    "enum": [
+                        "symlink",
+                        "rellink",
+                        "link",
+                        "copy",
+                        "copyNoFollow",
+                        "move"
+                    ],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -294,7 +304,10 @@
         "shortread_clipmerge_tool": {
             "type": "string",
             "default": "fastp",
-            "enum": ["fastp", "adapterremoval"]
+            "enum": [
+                "fastp",
+                "adapterremoval"
+            ]
         },
         "shortread_clipmerge_skipadaptertrim": {
             "type": "boolean"
@@ -335,7 +348,10 @@
         "shortread_complexityfilter_prinseqplusplus_mode": {
             "type": "string",
             "default": "entropy",
-            "enum": ["entropy", "dust"]
+            "enum": [
+                "entropy",
+                "dust"
+            ]
         },
         "shortread_complexityfilter_prinseqplusplus_dustscore": {
             "type": "number",
@@ -387,7 +403,15 @@
         },
         "kaiju_taxon_name": {
             "type": "string",
-            "default": "species"
+            "default": "species",
+            "enum": [
+                "phylum",
+                "class",
+                "order",
+                "family",
+                "genus",
+                "species"
+            ]
         }
     }
-}
+}
\ No newline at end of file

From 194b89e66a32862d234ef39cc36aad46c97a2da7 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Tue, 26 Apr 2022 12:53:39 +0200
Subject: [PATCH 187/789] Prettier

---
 nextflow_schema.json | 35 ++++++-----------------------------
 1 file changed, 6 insertions(+), 29 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 2fda6e1..83793e8 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,10 +10,7 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": [
-                "input",
-                "outdir"
-            ],
+            "required": ["input", "outdir"],
             "properties": {
                 "input": {
                     "type": "string",
@@ -176,14 +173,7 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": [
-                        "symlink",
-                        "rellink",
-                        "link",
-                        "copy",
-                        "copyNoFollow",
-                        "move"
-                    ],
+                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -304,10 +294,7 @@
         "shortread_clipmerge_tool": {
             "type": "string",
             "default": "fastp",
-            "enum": [
-                "fastp",
-                "adapterremoval"
-            ]
+            "enum": ["fastp", "adapterremoval"]
         },
         "shortread_clipmerge_skipadaptertrim": {
             "type": "boolean"
@@ -348,10 +335,7 @@
         "shortread_complexityfilter_prinseqplusplus_mode": {
             "type": "string",
             "default": "entropy",
-            "enum": [
-                "entropy",
-                "dust"
-            ]
+            "enum": ["entropy", "dust"]
         },
         "shortread_complexityfilter_prinseqplusplus_dustscore": {
             "type": "number",
@@ -404,14 +388,7 @@
         "kaiju_taxon_name": {
             "type": "string",
             "default": "species",
-            "enum": [
-                "phylum",
-                "class",
-                "order",
-                "family",
-                "genus",
-                "species"
-            ]
+            "enum": ["phylum", "class", "order", "family", "genus", "species"]
         }
     }
-}
\ No newline at end of file
+}

From 8126d16dee7e60f80d9cfb159db9199435bccd03 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 29 Apr 2022 21:59:42 +0200
Subject: [PATCH 188/789] Add draft version of DIAMOND

---
 CITATIONS.md                                  |  4 ++
 conf/modules.config                           | 42 +++++++++------
 conf/test.config                              |  5 ++
 docs/usage.md                                 |  3 ++
 modules.json                                  |  5 +-
 .../nf-core/modules/diamond/blastx/main.nf    | 53 +++++++++++++++++++
 .../nf-core/modules/diamond/blastx/meta.yml   | 52 ++++++++++++++++++
 nextflow.config                               |  4 ++
 nextflow_schema.json                          | 51 +++++++++++++++---
 subworkflows/local/profiling.nf               | 16 ++++++
 10 files changed, 212 insertions(+), 23 deletions(-)
 create mode 100644 modules/nf-core/modules/diamond/blastx/main.nf
 create mode 100644 modules/nf-core/modules/diamond/blastx/meta.yml

diff --git a/CITATIONS.md b/CITATIONS.md
index 02621d9..fd8c52a 100644
--- a/CITATIONS.md
+++ b/CITATIONS.md
@@ -52,6 +52,10 @@
 
   > Kim, Daehwan, Li Song, Florian P. Breitwieser, and Steven L. Salzberg. 2016. “Centrifuge: Rapid and Sensitive Classification of Metagenomic Sequences.” Genome Research 26 (12): 1721-29. doi: 10.1101/gr.210641.116.
 
+- [DIAMOND](https://doi.org/10.1038/nmeth.3176)
+
+> Buchfink, Benjamin, Chao Xie, and Daniel H. Huson. 2015. “Fast and Sensitive Protein Alignment Using DIAMOND.” Nature Methods 12 (1): 59-60. doi: 10.1038/nmeth.3176.
+
 ## Software packaging/containerisation tools
 
 - [Anaconda](https://anaconda.com)
diff --git a/conf/modules.config b/conf/modules.config
index a72561d..9b081b5 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -264,39 +264,49 @@ process {
         ]
     }
 
-    withName: CUSTOM_DUMPSOFTWAREVERSIONS {
+    withName: KAIJU_KAIJU {
         publishDir = [
-            path: { "${params.outdir}/pipeline_info" },
+            path: { "${params.outdir}/kaiju/${meta.db_name}" },
             mode: params.publish_dir_mode,
-            pattern: '*_versions.yml'
+            pattern: '*.tsv'
         ]
+        ext.args = { "${meta.db_params}" }
+        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
     }
 
-    withName: MULTIQC {
+   withName: KAIJU_KAIJU2TABLE {
+        ext.args = { "${meta.db_params}" }
+        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
-            path: { "${params.outdir}/${task.process.tokenize(':')[-1].tokenize('_')[0].toLowerCase()}" },
+            path: { "${params.outdir}/kaiju/${meta.db_name}" },
             mode: params.publish_dir_mode,
-            saveAs: { filename -> filename.equals('versions.yml') ? null : filename }
+            pattern: '*.{txt}'
         ]
     }
 
-    withName: KAIJU_KAIJU {
+   withName: DIAMOND_BLASTX {
+        ext.args = { "${meta.db_params}" }
+        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
-            path: { "${params.outdir}/kaiju/${meta.db_name}" },
+            path: { "${params.outdir}/diamond/${meta.db_name}" },
             mode: params.publish_dir_mode,
-            pattern: '*.tsv'
+            pattern: '*.{blast,xml,txt,daa,sam,tsv,paf}'
         ]
-        ext.args = { "${meta.db_params}" }
-        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
     }
 
-        withName: KAIJU_KAIJU2TABLE {
-        ext.args = { "${meta.db_params}" }
-        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+    withName: CUSTOM_DUMPSOFTWAREVERSIONS {
         publishDir = [
-            path: { "${params.outdir}/kaiju/${meta.db_name}" },
+            path: { "${params.outdir}/pipeline_info" },
             mode: params.publish_dir_mode,
-            pattern: '*.{txt}'
+            pattern: '*_versions.yml'
+        ]
+    }
+
+    withName: MULTIQC {
+        publishDir = [
+            path: { "${params.outdir}/${task.process.tokenize(':')[-1].tokenize('_')[0].toLowerCase()}" },
+            mode: params.publish_dir_mode,
+            saveAs: { filename -> filename.equals('versions.yml') ? null : filename }
         ]
     }
 }
diff --git a/conf/test.config b/conf/test.config
index ecf55bd..35d3539 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -34,6 +34,11 @@ params {
     run_malt                              = true
     run_metaphlan3                        = true
     run_centrifuge                        = true
+    run_diamond                           = true
+    // TODO: setting to txt here as does not require taxonomy in database.
+    // Should consider re-building our test database but with the required
+    // taxonomy files, but this may make large files (prot2access: 9GB)
+    diamond_output_format                 = 'txt'
 }
 
 process {
diff --git a/docs/usage.md b/docs/usage.md
index 5d3268b..002f4f2 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -128,6 +128,9 @@ Expected (uncompressed) database files for each tool are as follows:
   - `kaiju_db_*.fmi`
   - `nodes.dmp`
   - `names.dmp`
+- **DIAMOND** output of `diamond makedb`. Note: requires building with taxonomy files
+  to generate taxonomic profile. See [DIAMOND documentation](https://github.com/bbuchfink/diamond/wiki/3.-Command-line-options#makedb-options).  A file named:
+  - `<database_name>.dmnd`
 
 ## Running the pipeline
 
diff --git a/modules.json b/modules.json
index ffcde5d..7b659c1 100644
--- a/modules.json
+++ b/modules.json
@@ -27,6 +27,9 @@
             "custom/dumpsoftwareversions": {
                 "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
             },
+            "diamond/blastx": {
+                "git_sha": "42564565b934eeb2449e35ec97ed13ff2a67f1de"
+            },
             "fastp": {
                 "git_sha": "d0a1cbb703a130c19f6796c3fce24fbe7dfce789"
             },
@@ -65,4 +68,4 @@
             }
         }
     }
-}
+}
\ No newline at end of file
diff --git a/modules/nf-core/modules/diamond/blastx/main.nf b/modules/nf-core/modules/diamond/blastx/main.nf
new file mode 100644
index 0000000..6703c1e
--- /dev/null
+++ b/modules/nf-core/modules/diamond/blastx/main.nf
@@ -0,0 +1,53 @@
+process DIAMOND_BLASTX {
+    tag "$meta.id"
+    label 'process_medium'
+
+    // Dimaond is limited to v2.0.9 because there is not a
+    // singularity version higher than this at the current time.
+    conda (params.enable_conda ? "bioconda::diamond=2.0.9" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/diamond:2.0.9--hdcc8f71_0' :
+        'quay.io/biocontainers/diamond:2.0.9--hdcc8f71_0' }"
+
+    input:
+    tuple val(meta), path(fasta)
+    path db
+    val outext
+
+    output:
+    tuple val(meta), path('*.{blast,xml,txt,daa,sam,tsv,paf}'), emit: output
+    path "versions.yml"           , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    switch ( outext ) {
+        case "blast": outfmt = 0; break
+        case "xml": outfmt = 5; break
+        case "txt": outfmt = 6; break
+        case "daa": outfmt = 100; break
+        case "sam": outfmt = 101; break
+        case "tsv": outfmt = 102; break
+        case "paf": outfmt = 103; break
+    }
+    """
+    DB=`find -L ./ -name "*.dmnd" | sed 's/.dmnd//'`
+
+    diamond \\
+        blastx \\
+        --threads $task.cpus \\
+        --db \$DB \\
+        --query $fasta \\
+        --outfmt ${outfmt} \\
+        $args \\
+        --out ${prefix}.${outext}
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        diamond: \$(diamond --version 2>&1 | tail -n 1 | sed 's/^diamond version //')
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/modules/diamond/blastx/meta.yml b/modules/nf-core/modules/diamond/blastx/meta.yml
new file mode 100644
index 0000000..5ee2d55
--- /dev/null
+++ b/modules/nf-core/modules/diamond/blastx/meta.yml
@@ -0,0 +1,52 @@
+name: diamond_blastx
+description: Queries a DIAMOND database using blastx mode
+keywords:
+  - fasta
+  - diamond
+  - blastx
+  - DNA sequence
+tools:
+  - diamond:
+      description: Accelerated BLAST compatible local sequence aligner
+      homepage: https://github.com/bbuchfink/diamond
+      documentation: https://github.com/bbuchfink/diamond/wiki
+      tool_dev_url: https://github.com/bbuchfink/diamond
+      doi: "doi:10.1038/s41592-021-01101-x"
+      licence: ["GPL v3.0"]
+
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - fasta:
+      type: file
+      description: Input fasta file containing query sequences
+      pattern: "*.{fa,fasta}"
+  - db:
+      type: directory
+      description: Directory containing the nucelotide blast database
+      pattern: "*"
+  - outext:
+      type: string
+      description: |
+        Specify the type of output file to be generated. `blast` corresponds to
+        BLAST pairwise format. `xml` corresponds to BLAST xml format.
+        `txt` corresponds to to BLAST tabular format. `tsv` corresponds to
+        taxonomic classification format.
+      pattern: "blast|xml|txt|daa|sam|tsv|paf"
+
+output:
+  - txt:
+      type: file
+      description: File containing blastx hits
+      pattern: "*.{blastx.txt}"
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+
+authors:
+  - "@spficklin"
+  - "@jfy133"
diff --git a/nextflow.config b/nextflow.config
index 909da25..963a4a5 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -108,6 +108,10 @@ params {
     // kaiju
     run_kaiju                  = false
     kaiju_taxon_name           = 'species'
+
+    // diamond
+    run_diamond                = false
+    diamond_output_format      = 'tsv'
 }
 
 // Load base.config by default for all pipelines
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 83793e8..fc516d6 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,7 +10,10 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["input", "outdir"],
+            "required": [
+                "input",
+                "outdir"
+            ],
             "properties": {
                 "input": {
                     "type": "string",
@@ -173,7 +176,14 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
+                    "enum": [
+                        "symlink",
+                        "rellink",
+                        "link",
+                        "copy",
+                        "copyNoFollow",
+                        "move"
+                    ],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -294,7 +304,10 @@
         "shortread_clipmerge_tool": {
             "type": "string",
             "default": "fastp",
-            "enum": ["fastp", "adapterremoval"]
+            "enum": [
+                "fastp",
+                "adapterremoval"
+            ]
         },
         "shortread_clipmerge_skipadaptertrim": {
             "type": "boolean"
@@ -335,7 +348,10 @@
         "shortread_complexityfilter_prinseqplusplus_mode": {
             "type": "string",
             "default": "entropy",
-            "enum": ["entropy", "dust"]
+            "enum": [
+                "entropy",
+                "dust"
+            ]
         },
         "shortread_complexityfilter_prinseqplusplus_dustscore": {
             "type": "number",
@@ -388,7 +404,30 @@
         "kaiju_taxon_name": {
             "type": "string",
             "default": "species",
-            "enum": ["phylum", "class", "order", "family", "genus", "species"]
+            "enum": [
+                "phylum",
+                "class",
+                "order",
+                "family",
+                "genus",
+                "species"
+            ]
+        },
+        "run_diamond": {
+            "type": "boolean"
+        },
+        "diamond_output_format": {
+            "type": "string",
+            "default": "tsv",
+            "enum": [
+                "blast",
+                "xml",
+                "txt",
+                "daa",
+                "sam",
+                "tsv",
+                "paf"
+            ]
         }
     }
-}
+}
\ No newline at end of file
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 1f1d4da..9389e19 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -10,6 +10,8 @@ include { CENTRIFUGE_KREPORT          } from '../../modules/nf-core/modules/cent
 include { METAPHLAN3                  } from '../../modules/nf-core/modules/metaphlan3/main'
 include { KAIJU_KAIJU                 } from '../../modules/nf-core/modules/kaiju/kaiju/main'
 include { KAIJU_KAIJU2TABLE           } from '../../modules/nf-core/modules/kaiju/kaiju2table/main'
+include { DIAMOND_BLASTX              } from '../../modules/nf-core/modules/diamond/blastx/main'
+
 
 workflow PROFILING {
     take:
@@ -41,6 +43,7 @@ workflow PROFILING {
                 metaphlan3: it[2]['tool'] == 'metaphlan3'
                 centrifuge: it[2]['tool'] == 'centrifuge'
                 kaiju: it[2]['tool'] == 'kaiju'
+                diamond: it[2]['tool'] == 'diamond'
                 unknown: true
             }
 
@@ -109,6 +112,13 @@ workflow PROFILING {
                                     db: it[3]
                             }
 
+    ch_input_for_diamond = ch_input_for_profiling.diamond
+                            .multiMap {
+                                it ->
+                                    reads: [it[0] + it[2], it[1]]
+                                    db: it[3]
+                            }
+
     /*
         RUN PROFILING
     */
@@ -163,6 +173,12 @@ workflow PROFILING {
         ch_raw_profiles = ch_raw_profiles.mix( KAIJU_KAIJU2TABLE.out.summary )
     }
 
+    if ( params.run_diamond ) {
+        DIAMOND_BLASTX ( ch_input_for_diamond.reads, ch_input_for_diamond.db, params.diamond_output_format )
+        ch_versions        = ch_versions.mix( DIAMOND_BLASTX.out.versions.first() )
+        ch_raw_profiles    = ch_raw_profiles.mix( DIAMOND_BLASTX.out.output )
+    }
+
     emit:
     profiles = ch_raw_profiles    // channel: [ val(meta), [ reads ] ] - should be text files or biom
     versions = ch_versions          // channel: [ versions.yml ]

From a4a9b161d80914f7f1964b4a86c58229d4d884b3 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 29 Apr 2022 22:02:44 +0200
Subject: [PATCH 189/789] Lintin

---
 conf/modules.config  |  4 ++--
 docs/usage.md        |  2 +-
 modules.json         |  2 +-
 nextflow_schema.json | 45 +++++++-------------------------------------
 4 files changed, 11 insertions(+), 42 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 9b081b5..d8fb382 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -274,7 +274,7 @@ process {
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
     }
 
-   withName: KAIJU_KAIJU2TABLE {
+    withName: KAIJU_KAIJU2TABLE {
         ext.args = { "${meta.db_params}" }
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
@@ -284,7 +284,7 @@ process {
         ]
     }
 
-   withName: DIAMOND_BLASTX {
+    withName: DIAMOND_BLASTX {
         ext.args = { "${meta.db_params}" }
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
diff --git a/docs/usage.md b/docs/usage.md
index 002f4f2..cee2bb6 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -129,7 +129,7 @@ Expected (uncompressed) database files for each tool are as follows:
   - `nodes.dmp`
   - `names.dmp`
 - **DIAMOND** output of `diamond makedb`. Note: requires building with taxonomy files
-  to generate taxonomic profile. See [DIAMOND documentation](https://github.com/bbuchfink/diamond/wiki/3.-Command-line-options#makedb-options).  A file named:
+  to generate taxonomic profile. See [DIAMOND documentation](https://github.com/bbuchfink/diamond/wiki/3.-Command-line-options#makedb-options). A file named:
   - `<database_name>.dmnd`
 
 ## Running the pipeline
diff --git a/modules.json b/modules.json
index 7b659c1..a65926c 100644
--- a/modules.json
+++ b/modules.json
@@ -68,4 +68,4 @@
             }
         }
     }
-}
\ No newline at end of file
+}
diff --git a/nextflow_schema.json b/nextflow_schema.json
index fc516d6..f429d1b 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,10 +10,7 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": [
-                "input",
-                "outdir"
-            ],
+            "required": ["input", "outdir"],
             "properties": {
                 "input": {
                     "type": "string",
@@ -176,14 +173,7 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": [
-                        "symlink",
-                        "rellink",
-                        "link",
-                        "copy",
-                        "copyNoFollow",
-                        "move"
-                    ],
+                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -304,10 +294,7 @@
         "shortread_clipmerge_tool": {
             "type": "string",
             "default": "fastp",
-            "enum": [
-                "fastp",
-                "adapterremoval"
-            ]
+            "enum": ["fastp", "adapterremoval"]
         },
         "shortread_clipmerge_skipadaptertrim": {
             "type": "boolean"
@@ -348,10 +335,7 @@
         "shortread_complexityfilter_prinseqplusplus_mode": {
             "type": "string",
             "default": "entropy",
-            "enum": [
-                "entropy",
-                "dust"
-            ]
+            "enum": ["entropy", "dust"]
         },
         "shortread_complexityfilter_prinseqplusplus_dustscore": {
             "type": "number",
@@ -404,14 +388,7 @@
         "kaiju_taxon_name": {
             "type": "string",
             "default": "species",
-            "enum": [
-                "phylum",
-                "class",
-                "order",
-                "family",
-                "genus",
-                "species"
-            ]
+            "enum": ["phylum", "class", "order", "family", "genus", "species"]
         },
         "run_diamond": {
             "type": "boolean"
@@ -419,15 +396,7 @@
         "diamond_output_format": {
             "type": "string",
             "default": "tsv",
-            "enum": [
-                "blast",
-                "xml",
-                "txt",
-                "daa",
-                "sam",
-                "tsv",
-                "paf"
-            ]
+            "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"]
         }
     }
-}
\ No newline at end of file
+}

From 0630fce3b5ddb4db1b1932b2405e11ba9bd321e2 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sat, 30 Apr 2022 08:11:40 +0200
Subject: [PATCH 190/789] Tweak based on official DIAMOND test-data

---
 conf/test.config | 4 ----
 nextflow.config  | 2 +-
 2 files changed, 1 insertion(+), 5 deletions(-)

diff --git a/conf/test.config b/conf/test.config
index 35d3539..a2464b2 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -35,10 +35,6 @@ params {
     run_metaphlan3                        = true
     run_centrifuge                        = true
     run_diamond                           = true
-    // TODO: setting to txt here as does not require taxonomy in database.
-    // Should consider re-building our test database but with the required
-    // taxonomy files, but this may make large files (prot2access: 9GB)
-    diamond_output_format                 = 'txt'
 }
 
 process {
diff --git a/nextflow.config b/nextflow.config
index 963a4a5..5644786 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -111,7 +111,7 @@ params {
 
     // diamond
     run_diamond                = false
-    diamond_output_format      = 'tsv'
+    diamond_output_format      = 'txt'
 }
 
 // Load base.config by default for all pipelines

From 031cb45934cc3e66909d6cdd7b38527508353250 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sun, 1 May 2022 07:18:14 +0200
Subject: [PATCH 191/789] Add initial longread QC filtering - requires filtlong
 module update

---
 .github/workflows/ci.yml                      | 18 +++----
 CITATIONS.md                                  |  2 +
 conf/modules.config                           | 48 ++++++++++++------
 conf/test.config                              |  4 +-
 docs/usage.md                                 | 10 ++--
 modules.json                                  |  3 ++
 modules/nf-core/modules/filtlong/main.nf      | 36 +++++++++++++
 modules/nf-core/modules/filtlong/meta.yml     | 50 +++++++++++++++++++
 nextflow.config                               | 28 +++++++----
 nextflow_schema.json                          | 36 +++++++++----
 subworkflows/local/longread_preprocessing.nf  | 45 +++++++++++++----
 .../local/shortread_adapterremoval.nf         |  4 +-
 subworkflows/local/shortread_fastp.nf         |  4 +-
 subworkflows/local/shortread_preprocessing.nf |  4 +-
 workflows/taxprofiler.nf                      | 15 +++---
 15 files changed, 233 insertions(+), 74 deletions(-)
 create mode 100644 modules/nf-core/modules/filtlong/main.nf
 create mode 100644 modules/nf-core/modules/filtlong/meta.yml

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index a1ece72..cb531b7 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -29,18 +29,18 @@ jobs:
           - NXF_VER: ""
             NXF_EDGE: "1"
         parameters:
-          - "--perform_longread_clip false"
-          - "--perform_shortread_clipmerge false"
-          - "--shortread_clipmerge_tool fastp"
-          - "--shortread_clipmerge_tool fastp --shortread_clipmerge_mergepairs --shortread_clipmerge_excludeunmerged"
-          - "--shortread_clipmerge_tool fastp --shortread_clipmerge_mergepairs"
-          - "--shortread_clipmerge_tool adapterremoval"
-          - "--shortread_clipmerge_tool adapterremoval --shortread_clipmerge_mergepairs --shortread_clipmerge_excludeunmerged"
-          - "--shortread_clipmerge_tool adapterremoval --shortread_clipmerge_mergepairs"
+          - "--perform_longread_qc false"
+          - "--perform_shortread_qc false"
+          - "--shortread_qc_tool fastp"
+          - "--shortread_qc_tool fastp --shortread_qc_mergepairs --shortread_qc_excludeunmerged"
+          - "--shortread_qc_tool fastp --shortread_qc_mergepairs"
+          - "--shortread_qc_tool adapterremoval"
+          - "--shortread_qc_tool adapterremoval --shortread_qc_mergepairs --shortread_qc_excludeunmerged"
+          - "--shortread_qc_tool adapterremoval --shortread_qc_mergepairs"
           - "--shortread_complexityfilter_tool bbduk"
           - "--shortread_complexityfilter_tool prinseq"
           - "--perform_runmerging"
-          - "--perform_runmerging --shortread_clipmerge_mergepairs"
+          - "--perform_runmerging --shortread_qc_mergepairs"
           - "--shortread_complexityfilter false --perform_shortread_hostremoval"
 
     steps:
diff --git a/CITATIONS.md b/CITATIONS.md
index fd8c52a..8044658 100644
--- a/CITATIONS.md
+++ b/CITATIONS.md
@@ -56,6 +56,8 @@
 
 > Buchfink, Benjamin, Chao Xie, and Daniel H. Huson. 2015. “Fast and Sensitive Protein Alignment Using DIAMOND.” Nature Methods 12 (1): 59-60. doi: 10.1038/nmeth.3176.
 
+- [FILTLONG](https://github.com/rrwick/Filtlong)
+
 ## Software packaging/containerisation tools
 
 - [Anaconda](https://anaconda.com)
diff --git a/conf/modules.config b/conf/modules.config
index d8fb382..8481e7b 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -51,10 +51,10 @@ process {
     withName: FASTP_SINGLE {
         ext.args   = [
             // trimming options
-            params.shortread_clipmerge_skipadaptertrim ? "--disable_adapter_trimming" : "",
-            params.shortread_clipmerge_adapter1 ? "--adapter_sequence ${params.shortread_clipmerge_adapter1}" : "",
+            params.shortread_qc_skipadaptertrim ? "--disable_adapter_trimming" : "",
+            params.shortread_qc_adapter1 ? "--adapter_sequence ${params.shortread_qc_adapter1}" : "",
             // filtering options
-            "--length_required ${params.shortread_clipmerge_minlength}"
+            "--length_required ${params.shortread_qc_minlength}"
         ].join(' ').trim()
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [
@@ -68,13 +68,13 @@ process {
     withName: FASTP_PAIRED {
         ext.args   = [
             // collapsing options - option to retain singletons
-            params.shortread_clipmerge_excludeunmerged ? '' : "--include_unmerged",
+            params.shortread_qc_excludeunmerged ? '' : "--include_unmerged",
             // trimming options
-            params.shortread_clipmerge_skipadaptertrim ? "--disable_adapter_trimming" : "",
-            params.shortread_clipmerge_adapter1 ? "--adapter_sequence ${params.shortread_clipmerge_adapter1}" : "",
-            params.shortread_clipmerge_adapter2 ? "--adapter_sequence_r2 ${params.shortread_clipmerge_adapter2}" : "--detect_adapter_for_pe",
+            params.shortread_qc_skipadaptertrim ? "--disable_adapter_trimming" : "",
+            params.shortread_qc_adapter1 ? "--adapter_sequence ${params.shortread_qc_adapter1}" : "",
+            params.shortread_qc_adapter2 ? "--adapter_sequence_r2 ${params.shortread_qc_adapter2}" : "--detect_adapter_for_pe",
             // filtering options
-            "--length_required ${params.shortread_clipmerge_minlength}"
+            "--length_required ${params.shortread_qc_minlength}"
         ].join(' ').trim()
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [
@@ -88,10 +88,10 @@ process {
     withName: ADAPTERREMOVAL_SINGLE {
         ext.args   = [
             // trimming options
-            params.shortread_clipmerge_skipadaptertrim ? "--adapter1 '' --adapter2 ''" : "",
-            params.shortread_clipmerge_adapter1 ? "--adapter1 ${params.shortread_clipmerge_adapter1}" : "",
+            params.shortread_qc_skipadaptertrim ? "--adapter1 '' --adapter2 ''" : "",
+            params.shortread_qc_adapter1 ? "--adapter1 ${params.shortread_qc_adapter1}" : "",
             // filtering options
-            "--minlength ${params.shortread_clipmerge_minlength}"
+            "--minlength ${params.shortread_qc_minlength}"
         ].join(' ').trim()
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [
@@ -105,13 +105,13 @@ process {
     withName: ADAPTERREMOVAL_PAIRED {
         ext.args   = [
             // collapsing options
-            params.shortread_clipmerge_mergepairs ? "--collapse" : "",
+            params.shortread_qc_mergepairs ? "--collapse" : "",
             // trimming options
-            params.shortread_clipmerge_skipadaptertrim ? "--adapter1 '' --adapter2 ''" : "",
-            params.shortread_clipmerge_adapter1 ? "--adapter1 ${params.shortread_clipmerge_adapter1}" : "",
-            params.shortread_clipmerge_adapter2 ? "--adapter2 ${params.shortread_clipmerge_adapter2}" : "",
+            params.shortread_qc_skipadaptertrim ? "--adapter1 '' --adapter2 ''" : "",
+            params.shortread_qc_adapter1 ? "--adapter1 ${params.shortread_qc_adapter1}" : "",
+            params.shortread_qc_adapter2 ? "--adapter2 ${params.shortread_qc_adapter2}" : "",
             // filtering options
-            "--minlength ${params.shortread_clipmerge_minlength}"
+            "--minlength ${params.shortread_qc_minlength}"
         ].join(' ').trim()
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [
@@ -132,6 +132,22 @@ process {
         ]
     }
 
+    withName: FILTLONG {
+        ext.args = [
+            "--min_length ${params.longread_qc_minlength}",
+            "--keep_percent ${params.longread_qc_keepbppercent}",
+            "--target_bases ${params.longread_qc_targetnbases}"
+        ]
+        .join(' ').trim()
+        ext.prefix = { "${meta.id}_${meta.run_accession}" }
+        publishDir = [
+            path: { "${params.outdir}/porechop" },
+            mode: params.publish_dir_mode,
+            pattern: '*.fastq.gz',
+            enabled: params.save_preprocessed_reads
+        ]
+    }
+
     withName: BOWTIE2_BUILD {
         publishDir = [
             path: { "${params.outdir}/bowtie2/build" },
diff --git a/conf/test.config b/conf/test.config
index a2464b2..ac7b0d3 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -24,8 +24,8 @@ params {
     // TODO nf-core: Give any required params for the test so that command line flags are not needed
     input                                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
     databases                             = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
-    perform_shortread_clipmerge           = true
-    perform_longread_clip                 = false
+    perform_shortread_qc           = true
+    perform_longread_qc                 = false
     perform_shortread_complexityfilter    = true
     perform_shortread_hostremoval         = true
     shortread_hostremoval_reference       = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/homo_sapiens/genome/genome.fasta'
diff --git a/docs/usage.md b/docs/usage.md
index cee2bb6..34af0eb 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -162,16 +162,16 @@ nf-core/taxprofiler offers four main preprocessing steps
 
 #### Read Processing
 
-Raw sequencing read processing in the form of adapter clipping and paired-end read merging can be activated via the `--perform_shortread_clipmerge` or `--perform_longread_clip` flags.
+Raw sequencing read processing in the form of adapter clipping and paired-end read merging can be activated via the `--perform_shortread_qc` or `--perform_longread_qc` flags.
 
 It is highly recommended to run this on raw reads to remove artefacts from sequencing that can cause false positive identification of taxa (e.g. contaminated reference genomes) and/or skews in taxonomic abundance profiles.
 
 There are currently two options for short-read preprocessing: `fastp` or `adapterremoval`.
 
-For adapter clipping, you can either rely on tool default adapter sequences, or supply your own adapters (`--shortread_clipmerge_adapter1` and `--shortread_clipmerge_adapter2`)
-By default, paired-end merging is not activated and paired-end profiling is performed where supported otherwise pairs will be independently profiled. If paired-end merging is activated you can also specify whether to exclude unmerged reads in the reads sent for profiling (`--shortread_clipmerge_mergepairs` and `--shortread_clipmerge_excludeunmerged`).
-You can also turn off clipping and only perform paired-end merging, if requested. This can be useful when processing data downloaded from the ENA, SRA, or DDBJ (`--shortread_clipmerge_skipadaptertrim`).
-Both tools support length filtering of reads and can be tuned with `--shortread_clipmerge_minlength`. Performing length filtering can be useful to remove short (often low sequencing complexity) sequences that result in unspecific classification and therefore slow down runtime during profiling, with minimal gain.
+For adapter clipping, you can either rely on tool default adapter sequences, or supply your own adapters (`--shortread_qc_adapter1` and `--shortread_qc_adapter2`)
+By default, paired-end merging is not activated and paired-end profiling is performed where supported otherwise pairs will be independently profiled. If paired-end merging is activated you can also specify whether to exclude unmerged reads in the reads sent for profiling (`--shortread_qc_mergepairs` and `--shortread_qc_excludeunmerged`).
+You can also turn off clipping and only perform paired-end merging, if requested. This can be useful when processing data downloaded from the ENA, SRA, or DDBJ (`--shortread_qc_skipadaptertrim`).
+Both tools support length filtering of reads and can be tuned with `--shortread_qc_minlength`. Performing length filtering can be useful to remove short (often low sequencing complexity) sequences that result in unspecific classification and therefore slow down runtime during profiling, with minimal gain.
 
 There is currently one option for long-read Oxford Nanopore processing: `porechop`.
 
diff --git a/modules.json b/modules.json
index a65926c..21c6a89 100644
--- a/modules.json
+++ b/modules.json
@@ -36,6 +36,9 @@
             "fastqc": {
                 "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
             },
+            "filtlong": {
+                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
+            },
             "kaiju/kaiju": {
                 "git_sha": "8856f127c58f6af479128be8b8df4d42e442ddbe"
             },
diff --git a/modules/nf-core/modules/filtlong/main.nf b/modules/nf-core/modules/filtlong/main.nf
new file mode 100644
index 0000000..0e6fdd5
--- /dev/null
+++ b/modules/nf-core/modules/filtlong/main.nf
@@ -0,0 +1,36 @@
+process FILTLONG {
+    tag "$meta.id"
+    label 'process_low'
+
+    conda (params.enable_conda ? "bioconda::filtlong=0.2.1" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/filtlong:0.2.1--h9a82719_0' :
+        'quay.io/biocontainers/filtlong:0.2.1--h9a82719_0' }"
+
+    input:
+    tuple val(meta), path(shortreads), path(longreads)
+
+    output:
+    tuple val(meta), path("${meta.id}_lr_filtlong.fastq.gz"), emit: reads
+    path "versions.yml"                                     , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    def short_reads = meta.single_end ? "-1 $shortreads" : "-1 ${shortreads[0]} -2 ${shortreads[1]}"
+    """
+    filtlong \\
+        $short_reads \\
+        $args \\
+        $longreads \\
+        | gzip -n > ${prefix}_lr_filtlong.fastq.gz
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        filtlong: \$( filtlong --version | sed -e "s/Filtlong v//g" )
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/modules/filtlong/meta.yml b/modules/nf-core/modules/filtlong/meta.yml
new file mode 100644
index 0000000..b3626e6
--- /dev/null
+++ b/modules/nf-core/modules/filtlong/meta.yml
@@ -0,0 +1,50 @@
+name: filtlong
+description: Filtlong filters long reads based on quality measures or short read data.
+keywords:
+  - nanopore
+  - quality control
+  - QC
+  - filtering
+  - long reads
+  - short reads
+tools:
+  - filtlong:
+      description: Filtlong is a tool for filtering long reads. It can take a set of long reads and produce a smaller, better subset. It uses both read length (longer is better) and read identity (higher is better) when choosing which reads pass the filter.
+      homepage: https://anaconda.org/bioconda/filtlong
+      documentation: None
+      tool_dev_url: https://github.com/rrwick/Filtlong
+      doi: ""
+      licence: ["GPL v3"]
+
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - shortreads:
+      type: file
+      description: fastq file
+      pattern: "*.{fq,fastq,fq.gz,fastq.gz}"
+  - longreads:
+      type: file
+      description: fastq file
+      pattern: "*.{fq,fastq,fq.gz,fastq.gz}"
+
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+  - reads:
+      type: file
+      description: Filtered (compressed) fastq file
+      pattern: "*.fastq.gz"
+
+authors:
+  - "@d4straub"
diff --git a/nextflow.config b/nextflow.config
index 5644786..145e53b 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -55,16 +55,23 @@ params {
     databases = null
 
     // FASTQ preprocessing
-    perform_shortread_clipmerge             = false
-    shortread_clipmerge_tool                = 'fastp'
-    shortread_clipmerge_skipadaptertrim     = false
-    shortread_clipmerge_mergepairs          = false
-    shortread_clipmerge_excludeunmerged     = false
-    shortread_clipmerge_adapter1            = null
-    shortread_clipmerge_adapter2            = null
-    shortread_clipmerge_minlength           = 15
-    perform_longread_clip                   = false
-    save_preprocessed_reads                 = false
+    perform_shortread_qc             = false
+    shortread_qc_tool                = 'fastp'
+    shortread_qc_skipadaptertrim     = false
+    shortread_qc_mergepairs          = false
+    shortread_qc_excludeunmerged     = false
+    shortread_qc_adapter1            = null
+    shortread_qc_adapter2            = null
+    shortread_qc_minlength           = 15
+
+    perform_longread_qc              = false
+    longread_qc_run_clip             = false
+    longread_qc_run_filter           = false
+    longread_qc_minlength            = 1000
+    longread_qc_keepbppercent        = 90
+    longread_qc_targetnbases         = 500000000
+
+    save_preprocessed_reads          = false
 
     // Complexity filtering
     perform_shortread_complexityfilter                   = false
@@ -185,6 +192,7 @@ profiles {
 }
 
 // Load igenomes.config if required
+
 if (!params.igenomes_ignore) {
     includeConfig 'conf/igenomes.config'
 } else {
diff --git a/nextflow_schema.json b/nextflow_schema.json
index f429d1b..1a590bb 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -262,7 +262,7 @@
             "type": "string",
             "default": "None"
         },
-        "shortread_clipmerge_excludeunmerged": {
+        "shortread_qc_excludeunmerged": {
             "type": "boolean"
         },
         "run_malt": {
@@ -291,26 +291,26 @@
             "type": "boolean",
             "description": "Enable MetaPhlAn for taxonomic profiling"
         },
-        "shortread_clipmerge_tool": {
+        "shortread_qc_tool": {
             "type": "string",
             "default": "fastp",
             "enum": ["fastp", "adapterremoval"]
         },
-        "shortread_clipmerge_skipadaptertrim": {
+        "shortread_qc_skipadaptertrim": {
             "type": "boolean"
         },
-        "shortread_clipmerge_mergepairs": {
+        "shortread_qc_mergepairs": {
             "type": "boolean"
         },
-        "shortread_clipmerge_adapter1": {
+        "shortread_qc_adapter1": {
             "type": "string",
             "default": "None"
         },
-        "shortread_clipmerge_adapter2": {
+        "shortread_qc_adapter2": {
             "type": "string",
             "default": "None"
         },
-        "shortread_clipmerge_minlength": {
+        "shortread_qc_minlength": {
             "type": "integer",
             "default": 15
         },
@@ -347,10 +347,10 @@
         "save_runmerged_reads": {
             "type": "boolean"
         },
-        "perform_shortread_clipmerge": {
+        "perform_shortread_qc": {
             "type": "boolean"
         },
-        "perform_longread_clip": {
+        "perform_longread_qc": {
             "type": "boolean"
         },
         "perform_shortread_complexityfilter": {
@@ -397,6 +397,24 @@
             "type": "string",
             "default": "tsv",
             "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"]
+        },
+        "longread_qc_run_clip": {
+            "type": "boolean"
+        },
+        "longread_qc_run_filter": {
+            "type": "boolean"
+        },
+        "longread_qc_minlength": {
+            "type": "integer",
+            "default": 1000
+        },
+        "longread_qc_keepbppercent": {
+            "type": "integer",
+            "default": 90
+        },
+        "longread_qc_targetnbases": {
+            "type": "integer",
+            "default": 500000000
         }
     }
 }
diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf
index 2fa5f3b..5ae5417 100644
--- a/subworkflows/local/longread_preprocessing.nf
+++ b/subworkflows/local/longread_preprocessing.nf
@@ -4,6 +4,7 @@
 
 include { FASTQC as FASTQC_PROCESSED } from '../../modules/nf-core/modules/fastqc/main'
 include { PORECHOP                   } from '../../modules/nf-core/modules/porechop/main'
+include { FILTLONG                   } from '../../modules/nf-core/modules/filtlong/main'
 
 workflow LONGREAD_PREPROCESSING {
     take:
@@ -13,20 +14,42 @@ workflow LONGREAD_PREPROCESSING {
     ch_versions      = Channel.empty()
     ch_multiqc_files = Channel.empty()
 
-    PORECHOP ( reads )
+    if ( params.longread_qc_run_clip && !params.longread_qc_run_filter ) {
+        PORECHOP ( reads )
 
-    ch_processed_reads = PORECHOP.out.reads
-                                .map {
-                                        meta, reads ->
-                                        def meta_new = meta.clone()
-                                        meta_new['single_end'] = 1
-                                        [ meta_new, reads ]
-                                    }
+        ch_processed_reads = PORECHOP.out.reads
+                                        .map {
+                                                meta, reads ->
+                                                def meta_new = meta.clone()
+                                                meta_new['single_end'] = 1
+                                                [ meta_new, reads ]
 
-    FASTQC_PROCESSED ( PORECHOP.out.reads )
-    ch_versions = ch_versions.mix(PORECHOP.out.versions.first())
-    ch_multiqc_files = ch_multiqc_files.mix( FASTQC_PROCESSED.out.zip )
+        ch_versions = ch_versions.mix(PORECHOP.out.versions.first())
+                                            }
+    } else if ( !params.longread_qc_run_clip && params.longread_qc_run_filter ) {
+
+        ch_processed_reads = FILTLONG ( reads.map{ meta, reads -> [meta, [], reads ]} )
+        ch_versions = ch_versions.mix(FILTLONG.out.versions.first())
+
+    } else {
+        PORECHOP ( reads )
+        ch_clipped_reads = PORECHOP.out.reads
+                                        .map {
+                                                meta, reads ->
+                                                def meta_new = meta.clone()
+                                                meta_new['single_end'] = 1
+                                                [ meta_new, reads ]
+                                        }
+
+        ch_processed_reads = FILTLONG ( ch_clipped_reads.map{ meta, reads -> [meta, [], reads ]} ).reads
 
+        ch_versions = ch_versions.mix(PORECHOP.out.versions.first())
+        ch_versions = ch_versions.mix(FILTLONG.out.versions.first())
+
+    }
+
+    FASTQC_PROCESSED ( ch_processed_reads.dump(tag: "filtlong") )
+    ch_multiqc_files = ch_multiqc_files.mix( FASTQC_PROCESSED.out.zip )
 
     emit:
     reads    = ch_processed_reads   // channel: [ val(meta), [ reads ] ]
diff --git a/subworkflows/local/shortread_adapterremoval.nf b/subworkflows/local/shortread_adapterremoval.nf
index b573be9..e491423 100644
--- a/subworkflows/local/shortread_adapterremoval.nf
+++ b/subworkflows/local/shortread_adapterremoval.nf
@@ -29,7 +29,7 @@ workflow SHORTREAD_ADAPTERREMOVAL {
      * has to be exported in a separate channel and we must manually recombine when necessary.
      */
 
-    if ( params.shortread_clipmerge_mergepairs && !params.shortread_clipmerge_excludeunmerged ) {
+    if ( params.shortread_qc_mergepairs && !params.shortread_qc_excludeunmerged ) {
 
         ch_concat_fastq = Channel.empty()
             .mix(
@@ -54,7 +54,7 @@ workflow SHORTREAD_ADAPTERREMOVAL {
         ch_adapterremoval_reads_prepped = CAT_FASTQ.out.reads
             .mix(ADAPTERREMOVAL_SINGLE.out.singles_truncated)
 
-    } else if ( params.shortread_clipmerge_mergepairs && params.shortread_clipmerge_excludeunmerged ) {
+    } else if ( params.shortread_qc_mergepairs && params.shortread_qc_excludeunmerged ) {
 
         ch_concat_fastq = Channel.empty()
             .mix(
diff --git a/subworkflows/local/shortread_fastp.nf b/subworkflows/local/shortread_fastp.nf
index 6fed2ae..05e0f3d 100644
--- a/subworkflows/local/shortread_fastp.nf
+++ b/subworkflows/local/shortread_fastp.nf
@@ -21,9 +21,9 @@ workflow SHORTREAD_FASTP {
 
     FASTP_SINGLE ( ch_input_for_fastp.single, false, false )
     // Last parameter here turns on merging of PE data
-    FASTP_PAIRED ( ch_input_for_fastp.paired, false, params.shortread_clipmerge_mergepairs )
+    FASTP_PAIRED ( ch_input_for_fastp.paired, false, params.shortread_qc_mergepairs )
 
-    if ( params.shortread_clipmerge_mergepairs ) {
+    if ( params.shortread_qc_mergepairs ) {
         ch_fastp_reads_prepped_pe = FASTP_PAIRED.out.reads_merged
                                         .map {
                                             meta, reads ->
diff --git a/subworkflows/local/shortread_preprocessing.nf b/subworkflows/local/shortread_preprocessing.nf
index b0ac25e..977a317 100644
--- a/subworkflows/local/shortread_preprocessing.nf
+++ b/subworkflows/local/shortread_preprocessing.nf
@@ -15,11 +15,11 @@ workflow SHORTREAD_PREPROCESSING {
     ch_versions       = Channel.empty()
     ch_multiqc_files  = Channel.empty()
 
-    if ( params.shortread_clipmerge_tool == "fastp" ) {
+    if ( params.shortread_qc_tool == "fastp" ) {
         ch_processed_reads = SHORTREAD_FASTP ( reads ).reads
         ch_versions        =  ch_versions.mix( SHORTREAD_FASTP.out.versions )
         ch_multiqc_files   =  ch_multiqc_files.mix( SHORTREAD_FASTP.out.mqc )
-    } else if ( params.shortread_clipmerge_tool == "adapterremoval" ) {
+    } else if ( params.shortread_qc_tool == "adapterremoval" ) {
         ch_processed_reads = SHORTREAD_ADAPTERREMOVAL ( reads ).reads
         ch_versions        = ch_versions.mix( SHORTREAD_ADAPTERREMOVAL.out.versions )
         ch_multiqc_files   = ch_multiqc_files.mix( SHORTREAD_ADAPTERREMOVAL.out.mqc )
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index a0046b2..2279fd5 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -19,8 +19,11 @@ for (param in checkPathParamList) { if (param) { file(param, checkIfExists: true
 // Check mandatory parameters
 if (params.input    ) { ch_input     = file(params.input)     } else { exit 1, 'Input samplesheet not specified!' }
 if (params.databases) { ch_databases = file(params.databases) } else { exit 1, 'Input database sheet not specified!' }
-if (params.shortread_clipmerge_mergepairs && params.run_malt ) log.warn "[nf-core/taxprofiler] MALT does not accept uncollapsed paired-reads. Pairs will be profiled as separate files."
-if (params.shortread_clipmerge_excludeunmerged && !params.shortread_clipmerge_mergepairs) exit 1, "ERROR: [nf-core/taxprofiler] cannot include unmerged reads when merging not turned on. Please specify --shortread_clipmerge_mergepairs"
+
+if (params.shortread_qc_mergepairs && params.run_malt ) log.warn "[nf-core/taxprofiler] MALT does not accept uncollapsed paired-short reads. Pairs will be profiled as separate files."
+if (params.shortread_qc_excludeunmerged && !params.shortread_qc_mergepairs) exit 1, "ERROR: [nf-core/taxprofiler] cannot include unmerged reads when merging not turned on. Please specify --shortread_qc_mergepairs"
+
+if ( (params.longread_qc_run_clip || params.longread_qc_run_filter) & !params.perform_longread_qc ) exit 1, "ERROR: [nf-core/taxprofiler] --longread_qc_run_clip or --longread_qc_run_filter requested but quality-control not turned on. Please specify --perform_long_qc"
 
 if (params.perform_shortread_hostremoval && !params.shortread_hostremoval_reference) { exit 1, "ERROR: [nf-core/taxprofiler] --shortread_hostremoval requested but no --shortread_hostremoval_reference FASTA supplied. Check input." }
 if (!params.shortread_hostremoval_reference && params.shortread_hostremoval_reference_index) { exit 1, "ERROR: [nf-core/taxprofiler] --shortread_hostremoval_index provided but no --shortread_hostremoval_reference FASTA supplied. Check input." }
@@ -110,14 +113,14 @@ workflow TAXPROFILER {
     /*
         SUBWORKFLOW: PERFORM PREPROCESSING
     */
-    if ( params.perform_shortread_clipmerge ) {
+    if ( params.perform_shortread_qc ) {
         ch_shortreads_preprocessed = SHORTREAD_PREPROCESSING ( INPUT_CHECK.out.fastq ).reads
         ch_versions = ch_versions.mix( SHORTREAD_PREPROCESSING.out.versions )
     } else {
         ch_shortreads_preprocessed = INPUT_CHECK.out.fastq
     }
 
-    if ( params.perform_longread_clip ) {
+    if ( params.perform_longread_qc ) {
         ch_longreads_preprocessed = LONGREAD_PREPROCESSING ( INPUT_CHECK.out.nanopore ).reads
                                         .map { it -> [ it[0], [it[1]] ] }
         ch_versions = ch_versions.mix( LONGREAD_PREPROCESSING.out.versions )
@@ -211,11 +214,11 @@ workflow TAXPROFILER {
     ch_multiqc_files = ch_multiqc_files.mix(CUSTOM_DUMPSOFTWAREVERSIONS.out.mqc_yml.collect())
     ch_multiqc_files = ch_multiqc_files.mix(FASTQC.out.zip.collect{it[1]}.ifEmpty([]))
 
-    if (params.perform_shortread_clipmerge) {
+    if (params.perform_shortread_qc) {
         ch_multiqc_files = ch_multiqc_files.mix( SHORTREAD_PREPROCESSING.out.mqc.collect{it[1]}.ifEmpty([]) )
     }
 
-    if (params.perform_longread_clip) {
+    if (params.perform_longread_qc) {
         ch_multiqc_files = ch_multiqc_files.mix( LONGREAD_PREPROCESSING.out.mqc.collect{it[1]}.ifEmpty([]) )
     }
 

From 409470642141460daace239396d7fdc95b0580b5 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sun, 1 May 2022 07:24:58 +0200
Subject: [PATCH 192/789] Only create profiler input channels when profiler
 activate

---
 subworkflows/local/profiling.nf | 138 +++++++++++++++++---------------
 1 file changed, 72 insertions(+), 66 deletions(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 9389e19..d8e9c84 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -48,7 +48,7 @@ workflow PROFILING {
             }
 
     /*
-        PREPARE PROFILER INPUT CHANNELS
+        PREPARE PROFILER INPUT CHANNELS & RUN PROFILING
     */
 
     // Each tool as a slightly different input structure and generally separate
@@ -56,74 +56,26 @@ workflow PROFILING {
     // for each tool and make liberal use of multiMap to keep reads/databases
     // channel element order in sync with each other
 
-    // MALT: We groupTuple to have all samples in one channel for MALT as database
-    // loading takes a long time, so we only want to run it once per database
-    // TODO document somewhere we only accept illumina short reads for MALT?
-    ch_input_for_malt =  ch_input_for_profiling.malt
-                            .filter { it[0]['instrument_platform'] == 'ILLUMINA' }
-                            .map {
-                                it ->
-                                    def temp_meta =  [ id: it[2]['db_name']]  + it[2]
-                                    def db = it[3]
-                                    [ temp_meta, it[1], db ]
-                            }
-                            .groupTuple(by: [0,2])
-                            .multiMap {
-                                it ->
-                                    reads: [ it[0], it[1].flatten() ]
-                                    db: it[2]
-                            }
-
-    // All subsequent tools can easily run on a per-sample basis
-
-    ch_input_for_kraken2 =  ch_input_for_profiling.kraken2
-                            .multiMap {
-                                it ->
-                                    reads: [ it[0] + it[2], it[1] ]
-                                    db: it[3]
-                            }
-
-    ch_input_for_centrifuge =  ch_input_for_profiling.centrifuge
-                            .filter{
-                                if (it[0].is_fasta) log.warn "[nf-core/taxprofiler] Centrifuge currently does not accept FASTA files as input. Skipping Centrifuge for sample ${it[0].id}."
-                                !it[0].is_fasta
-                            }
-                            .multiMap {
-                                it ->
-                                    reads: [ it[0] + it[2], it[1] ]
-                                    db: it[3]
-                            }
-
-    ch_input_for_metaphlan3 = ch_input_for_profiling.metaphlan3
-                            .filter{
-                                if (it[0].is_fasta) log.warn "[nf-core/taxprofiler] MetaPhlAn3 currently does not accept FASTA files as input. Skipping MetaPhlAn3 for sample ${it[0].id}."
-                                !it[0].is_fasta
-                            }
-                            .multiMap {
-                                it ->
-                                    reads: [it[0] + it[2], it[1]]
-                                    db: it[3]
-                            }
+    if ( params.run_malt ) {
 
-    ch_input_for_kaiju = ch_input_for_profiling.kaiju
-                            .multiMap {
-                                it ->
-                                    reads: [it[0] + it[2], it[1]]
-                                    db: it[3]
-                            }
 
-    ch_input_for_diamond = ch_input_for_profiling.diamond
-                            .multiMap {
-                                it ->
-                                    reads: [it[0] + it[2], it[1]]
-                                    db: it[3]
-                            }
-
-    /*
-        RUN PROFILING
-    */
+        // MALT: We groupTuple to have all samples in one channel for MALT as database
+        // loading takes a long time, so we only want to run it once per database
+        // TODO document somewhere we only accept illumina short reads for MALT?
+        ch_input_for_malt =  ch_input_for_profiling.malt
+                                .filter { it[0]['instrument_platform'] == 'ILLUMINA' }
+                                .map {
+                                    it ->
+                                        def temp_meta =  [ id: it[2]['db_name']]  + it[2]
+                                        def db = it[3]
+                                        [ temp_meta, it[1], db ]
+                                }
+                                .groupTuple(by: [0,2])
+                                .multiMap {
+                                    it ->
+                                        reads: [ it[0], it[1].flatten() ]
+                                        db: it[2]
 
-    if ( params.run_malt ) {
         MALT_RUN ( ch_input_for_malt.reads, params.malt_mode, ch_input_for_malt.db )
 
         ch_maltrun_for_megan = MALT_RUN.out.rma6
@@ -143,40 +95,94 @@ workflow PROFILING {
         ch_multiqc_files   = ch_multiqc_files.mix( MALT_RUN.out.log.collect{it[1]}.ifEmpty([])  )
         ch_versions        = ch_versions.mix( MALT_RUN.out.versions.first(), MEGAN_RMA2INFO.out.versions.first() )
         ch_raw_profiles    = ch_raw_profiles.mix( MEGAN_RMA2INFO.out.txt )
+
     }
 
     if ( params.run_kraken2 ) {
+
+        ch_input_for_kraken2 =  ch_input_for_profiling.kraken2
+                                .multiMap {
+                                    it ->
+                                        reads: [ it[0] + it[2], it[1] ]
+                                        db: it[3]
+                                }
+
         KRAKEN2_KRAKEN2 ( ch_input_for_kraken2.reads, ch_input_for_kraken2.db  )
         ch_multiqc_files   = ch_multiqc_files.mix( KRAKEN2_KRAKEN2.out.txt.collect{it[1]}.ifEmpty([])  )
         ch_versions        = ch_versions.mix( KRAKEN2_KRAKEN2.out.versions.first() )
         ch_raw_profiles    = ch_raw_profiles.mix( KRAKEN2_KRAKEN2.out.txt )
+
     }
 
     if ( params.run_centrifuge ) {
+
+        ch_input_for_centrifuge =  ch_input_for_profiling.centrifuge
+                                .filter{
+                                    if (it[0].is_fasta) log.warn "[nf-core/taxprofiler] Centrifuge currently does not accept FASTA files as input. Skipping Centrifuge for sample ${it[0].id}."
+                                    !it[0].is_fasta
+                                }
+                                .multiMap {
+                                    it ->
+                                        reads: [ it[0] + it[2], it[1] ]
+                                        db: it[3]
+                                }
+
         CENTRIFUGE_CENTRIFUGE ( ch_input_for_centrifuge.reads, ch_input_for_centrifuge.db, params.centrifuge_save_unaligned, params.centrifuge_save_aligned, params.centrifuge_sam_format  )
         CENTRIFUGE_KREPORT (CENTRIFUGE_CENTRIFUGE.out.results, ch_input_for_centrifuge.db)
         ch_versions        = ch_versions.mix( CENTRIFUGE_CENTRIFUGE.out.versions.first() )
         ch_raw_profiles    = ch_raw_profiles.mix( CENTRIFUGE_KREPORT.out.kreport )
+
     }
 
     if ( params.run_metaphlan3 ) {
+
+        ch_input_for_metaphlan3 = ch_input_for_profiling.metaphlan3
+                            .filter{
+                                if (it[0].is_fasta) log.warn "[nf-core/taxprofiler] MetaPhlAn3 currently does not accept FASTA files as input. Skipping MetaPhlAn3 for sample ${it[0].id}."
+                                !it[0].is_fasta
+                            }
+                            .multiMap {
+                                it ->
+                                    reads: [it[0] + it[2], it[1]]
+                                    db: it[3]
+                            }
+
         METAPHLAN3 ( ch_input_for_metaphlan3.reads, ch_input_for_metaphlan3.db )
         ch_versions        = ch_versions.mix( METAPHLAN3.out.versions.first() )
         ch_raw_profiles    = ch_raw_profiles.mix( METAPHLAN3.out.biom )
+
     }
 
     if ( params.run_kaiju ) {
+
+        ch_input_for_kaiju = ch_input_for_profiling.kaiju
+                            .multiMap {
+                                it ->
+                                    reads: [it[0] + it[2], it[1]]
+                                    db: it[3]
+                            }
+
         KAIJU_KAIJU ( ch_input_for_kaiju.reads, ch_input_for_kaiju.db)
         KAIJU_KAIJU2TABLE (KAIJU_KAIJU.out.results, ch_input_for_kaiju.db, params.kaiju_taxon_name)
         ch_multiqc_files = ch_multiqc_files.mix( KAIJU_KAIJU2TABLE.out.summary.collect{it[1]}.ifEmpty([])  )
         ch_versions = ch_versions.mix( KAIJU_KAIJU.out.versions.first() )
         ch_raw_profiles = ch_raw_profiles.mix( KAIJU_KAIJU2TABLE.out.summary )
+
     }
 
     if ( params.run_diamond ) {
+
+        ch_input_for_diamond = ch_input_for_profiling.diamond
+                                .multiMap {
+                                    it ->
+                                        reads: [it[0] + it[2], it[1]]
+                                        db: it[3]
+                                }
+
         DIAMOND_BLASTX ( ch_input_for_diamond.reads, ch_input_for_diamond.db, params.diamond_output_format )
         ch_versions        = ch_versions.mix( DIAMOND_BLASTX.out.versions.first() )
         ch_raw_profiles    = ch_raw_profiles.mix( DIAMOND_BLASTX.out.output )
+
     }
 
     emit:

From d5049a34e49c2a093039b83b183e48a81c6e9d60 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sun, 1 May 2022 07:28:29 +0200
Subject: [PATCH 193/789] Add missing close bracket

---
 subworkflows/local/profiling.nf | 1 +
 1 file changed, 1 insertion(+)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index d8e9c84..7fb3ce9 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -75,6 +75,7 @@ workflow PROFILING {
                                     it ->
                                         reads: [ it[0], it[1].flatten() ]
                                         db: it[2]
+                                }
 
         MALT_RUN ( ch_input_for_malt.reads, params.malt_mode, ch_input_for_malt.db )
 

From a821f748ee89ade6e229edab28fa7f3399969596 Mon Sep 17 00:00:00 2001
From: ljmesi <37740329+ljmesi@users.noreply.github.com>
Date: Tue, 3 May 2022 09:28:46 +0200
Subject: [PATCH 194/789] Add modules

---
 conf/modules.config                           | 41 ++++++++++++
 modules.json                                  | 14 +++-
 modules/nf-core/modules/metaphlan3/main.nf    |  2 +-
 .../nf-core/modules/minimap2/align/main.nf    | 48 ++++++++++++++
 .../nf-core/modules/minimap2/align/meta.yml   | 65 +++++++++++++++++++
 .../nf-core/modules/minimap2/index/main.nf    | 33 ++++++++++
 .../nf-core/modules/minimap2/index/meta.yml   | 30 +++++++++
 .../nf-core/modules/samtools/bam2fq/main.nf   | 56 ++++++++++++++++
 .../nf-core/modules/samtools/bam2fq/meta.yml  | 55 ++++++++++++++++
 modules/nf-core/modules/samtools/view/main.nf | 44 +++++++++++++
 .../nf-core/modules/samtools/view/meta.yml    | 57 ++++++++++++++++
 nf-core/modules/samtools/bam2fq/main.nf       | 56 ++++++++++++++++
 nf-core/modules/samtools/bam2fq/meta.yml      | 55 ++++++++++++++++
 13 files changed, 554 insertions(+), 2 deletions(-)
 create mode 100644 modules/nf-core/modules/minimap2/align/main.nf
 create mode 100644 modules/nf-core/modules/minimap2/align/meta.yml
 create mode 100644 modules/nf-core/modules/minimap2/index/main.nf
 create mode 100644 modules/nf-core/modules/minimap2/index/meta.yml
 create mode 100644 modules/nf-core/modules/samtools/bam2fq/main.nf
 create mode 100644 modules/nf-core/modules/samtools/bam2fq/meta.yml
 create mode 100644 modules/nf-core/modules/samtools/view/main.nf
 create mode 100644 modules/nf-core/modules/samtools/view/meta.yml
 create mode 100644 nf-core/modules/samtools/bam2fq/main.nf
 create mode 100644 nf-core/modules/samtools/bam2fq/meta.yml

diff --git a/conf/modules.config b/conf/modules.config
index d8fb382..b707954 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -164,6 +164,47 @@ process {
         ]
     }
 
+    withName: MINIMAP2_INDEX {
+        ext.args = '-x map-ont'
+        publishDir = [
+            path: { "${params.outdir}/minimap2/index" },
+            mode: params.publish_dir_mode,
+            enabled: params.save_minimap2_hostremoval_index,
+            pattern: 'minimap2'
+        ]
+    }
+
+    withName: MINIMAP2_ALIGN {
+        ext.prefix = { "${meta.id}_${meta.run_accession}" }
+        publishDir = [
+            path: { "${params.outdir}/minimap2/align" },
+            mode: params.publish_dir_mode,
+            enabled: params.save_minimap2_hostremoval_mapped,
+            pattern: '*.bam'
+        ]
+    }
+
+    withName: SAMTOOLS_VIEW {
+        ext.args = '-f 4'
+        ext.prefix = { "${meta.id}.mapped.sorted" }
+        publishDir = [
+            path: { "${params.outdir}/samtools/view" },
+            mode: params.publish_dir_mode,
+            enabled: params.save_samtools_unmapped_bam,
+            pattern: '*.bam'
+        ]
+    }
+
+    withName: SAMTOOLS_BAM2FQ {
+        ext.prefix = { "${meta.id}_${meta.run_accession}" }
+        publishDir = [
+            path: { "${params.outdir}/samtools/bam2fq" },
+            mode: params.publish_dir_mode,
+            enabled: params.save_minimap2_unmapped_fq,
+            pattern: '*.fq.gz'
+        ]
+    }
+
     withName: BBMAP_BBDUK {
         ext.args =  [
                 "entropy=${params.shortread_complexityfilter_entropy}",
diff --git a/modules.json b/modules.json
index a65926c..071234d 100644
--- a/modules.json
+++ b/modules.json
@@ -52,6 +52,12 @@
                 "git_sha": "2d38566eca4cc15142b2ffa7c11837569b39aece"
             },
             "metaphlan3": {
+                "git_sha": "ed4dd1a928ebf4308efb720de878045f7773f8e2"
+            },
+            "minimap2/align": {
+                "git_sha": "1a5a9e7b4009dcf34e6867dd1a5a1d9a718b027b"
+            },
+            "minimap2/index": {
                 "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
             },
             "multiqc": {
@@ -63,9 +69,15 @@
             "prinseqplusplus": {
                 "git_sha": "f1c5384c31e985591716afdd732cf8c2ae29d05b"
             },
+            "samtools/bam2fq": {
+                "git_sha": "897c33d5da084b61109500ee44c01da2d3e4e773"
+            },
+            "samtools/view": {
+                "git_sha": "12afb6b0faf3cabf769c9a2a7dd477e3f066eac0"
+            },
             "untar": {
                 "git_sha": "e080f4c8acf5760039ed12ec1f206170f3f9a918"
             }
         }
     }
-}
+}
\ No newline at end of file
diff --git a/modules/nf-core/modules/metaphlan3/main.nf b/modules/nf-core/modules/metaphlan3/main.nf
index 3fc6b27..bff0eb9 100644
--- a/modules/nf-core/modules/metaphlan3/main.nf
+++ b/modules/nf-core/modules/metaphlan3/main.nf
@@ -23,7 +23,7 @@ process METAPHLAN3 {
     script:
     def args = task.ext.args ?: ''
     def prefix = task.ext.prefix ?: "${meta.id}"
-    def input_type  = ("$input".endsWith(".fastq.gz")) ? "--input_type fastq" :  ("$input".contains(".fasta")) ? "--input_type fasta" : ("$input".endsWith(".bowtie2out.txt")) ? "--input_type bowtie2out" : "--input_type sam"
+    def input_type  = ("$input".endsWith(".fastq.gz") || "$input".endsWith(".fq.gz")) ? "--input_type fastq" :  ("$input".contains(".fasta")) ? "--input_type fasta" : ("$input".endsWith(".bowtie2out.txt")) ? "--input_type bowtie2out" : "--input_type sam"
     def input_data  = ("$input_type".contains("fastq")) && !meta.single_end ? "${input[0]},${input[1]}" : "$input"
     def bowtie2_out = "$input_type" == "--input_type bowtie2out" || "$input_type" == "--input_type sam" ? '' : "--bowtie2out ${prefix}.bowtie2out.txt"
 
diff --git a/modules/nf-core/modules/minimap2/align/main.nf b/modules/nf-core/modules/minimap2/align/main.nf
new file mode 100644
index 0000000..08ac6ee
--- /dev/null
+++ b/modules/nf-core/modules/minimap2/align/main.nf
@@ -0,0 +1,48 @@
+process MINIMAP2_ALIGN {
+    tag "$meta.id"
+    label 'process_medium'
+
+    conda (params.enable_conda ? 'bioconda::minimap2=2.21 bioconda::samtools=1.12' : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/mulled-v2-66534bcbb7031a148b13e2ad42583020b9cd25c4:1679e915ddb9d6b4abda91880c4b48857d471bd8-0' :
+        'quay.io/biocontainers/mulled-v2-66534bcbb7031a148b13e2ad42583020b9cd25c4:1679e915ddb9d6b4abda91880c4b48857d471bd8-0' }"
+
+    input:
+    tuple val(meta), path(reads)
+    path reference
+    val bam_format
+    val cigar_paf_format
+    val cigar_bam
+
+    output:
+    tuple val(meta), path("*.paf"), optional: true, emit: paf
+    tuple val(meta), path("*.bam"), optional: true, emit: bam
+    path "versions.yml"           , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    def input_reads = meta.single_end ? "$reads" : "${reads[0]} ${reads[1]}"
+    def bam_output = bam_format ? "-a | samtools sort | samtools view -@ ${task.cpus} -b -h -o ${prefix}.bam" : "-o ${prefix}.paf"
+    def cigar_paf = cigar_paf_format && !bam_format ? "-c" : ''
+    def set_cigar_bam = cigar_bam && bam_format ? "-L" : ''
+    """
+    minimap2 \\
+        $args \\
+        -t $task.cpus \\
+        $reference \\
+        $input_reads \\
+        $cigar_paf \\
+        $set_cigar_bam \\
+        $bam_output
+
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        minimap2: \$(minimap2 --version 2>&1)
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/modules/minimap2/align/meta.yml b/modules/nf-core/modules/minimap2/align/meta.yml
new file mode 100644
index 0000000..991b39a
--- /dev/null
+++ b/modules/nf-core/modules/minimap2/align/meta.yml
@@ -0,0 +1,65 @@
+name: minimap2_align
+description: A versatile pairwise aligner for genomic and spliced nucleotide sequences
+keywords:
+  - align
+  - fasta
+  - fastq
+  - genome
+  - paf
+  - reference
+tools:
+  - minimap2:
+      description: |
+        A versatile pairwise aligner for genomic and spliced nucleotide sequences.
+      homepage: https://github.com/lh3/minimap2
+      documentation: https://github.com/lh3/minimap2#uguide
+      licence: ["MIT"]
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - reads:
+      type: file
+      description: |
+        List of input FASTA or FASTQ files of size 1 and 2 for single-end
+        and paired-end data, respectively.
+  - reference:
+      type: file
+      description: |
+        Reference database in FASTA format.
+  - bam_format:
+      type: boolean
+      description: Specify that output should be in BAM format
+  - cigar_paf_format:
+      type: boolean
+      description: Specify that output CIGAR should be in PAF format
+  - cigar_bam:
+      type: boolean
+      description: |
+        Write CIGAR with >65535 ops at the CG tag. This is recommended when
+        doing XYZ (https://github.com/lh3/minimap2#working-with-65535-cigar-operations)
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - paf:
+      type: file
+      description: Alignment in PAF format
+      pattern: "*.paf"
+  - bam:
+      type: file
+      description: Alignment in BAM format
+      pattern: "*.bam"
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+authors:
+  - "@heuermh"
+  - "@sofstam"
+  - "@sateeshperi"
+  - "@jfy133"
diff --git a/modules/nf-core/modules/minimap2/index/main.nf b/modules/nf-core/modules/minimap2/index/main.nf
new file mode 100644
index 0000000..3dfeb86
--- /dev/null
+++ b/modules/nf-core/modules/minimap2/index/main.nf
@@ -0,0 +1,33 @@
+process MINIMAP2_INDEX {
+    label 'process_medium'
+
+    conda (params.enable_conda ? 'bioconda::minimap2=2.21' : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/minimap2:2.21--h5bf99c6_0' :
+        'quay.io/biocontainers/minimap2:2.21--h5bf99c6_0' }"
+
+    input:
+    path fasta
+
+    output:
+    path "*.mmi"        , emit: index
+    path "versions.yml" , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    """
+    minimap2 \\
+        -t $task.cpus \\
+        -d ${fasta.baseName}.mmi \\
+        $args \\
+        $fasta
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        minimap2: \$(minimap2 --version 2>&1)
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/modules/minimap2/index/meta.yml b/modules/nf-core/modules/minimap2/index/meta.yml
new file mode 100644
index 0000000..3bf9f04
--- /dev/null
+++ b/modules/nf-core/modules/minimap2/index/meta.yml
@@ -0,0 +1,30 @@
+name: minimap2_index
+description: Provides fasta index required by minimap2 alignment.
+keywords:
+  - index
+  - fasta
+  - reference
+tools:
+  - minimap2:
+      description: |
+        A versatile pairwise aligner for genomic and spliced nucleotide sequences.
+      homepage: https://github.com/lh3/minimap2
+      documentation: https://github.com/lh3/minimap2#uguide
+      licence: ["MIT"]
+input:
+  - fasta:
+      type: file
+      description: |
+        Reference database in FASTA format.
+output:
+  - mmi:
+      type: file
+      description: Minimap2 fasta index.
+      pattern: "*.mmi"
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+authors:
+  - "@yuukiiwa"
+  - "@drpatelh"
diff --git a/modules/nf-core/modules/samtools/bam2fq/main.nf b/modules/nf-core/modules/samtools/bam2fq/main.nf
new file mode 100644
index 0000000..554af48
--- /dev/null
+++ b/modules/nf-core/modules/samtools/bam2fq/main.nf
@@ -0,0 +1,56 @@
+process SAMTOOLS_BAM2FQ {
+    tag "$meta.id"
+    label 'process_low'
+
+    conda (params.enable_conda ? "bioconda::samtools=1.15.1" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/samtools:1.15.1--h1170115_0' :
+        'quay.io/biocontainers/samtools:1.15.1--h1170115_0' }"
+
+    input:
+    tuple val(meta), path(inputbam)
+    val split
+
+    output:
+    tuple val(meta), path("*.fq.gz"), emit: reads
+    path "versions.yml"             , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
+
+    if (split){
+        """
+        samtools \\
+            bam2fq \\
+            $args \\
+            -@ $task.cpus \\
+            -1 ${prefix}_1.fq.gz \\
+            -2 ${prefix}_2.fq.gz \\
+            -0 ${prefix}_other.fq.gz \\
+            -s ${prefix}_singleton.fq.gz \\
+            $inputbam
+
+        cat <<-END_VERSIONS > versions.yml
+        "${task.process}":
+            samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//')
+        END_VERSIONS
+        """
+    } else {
+        """
+        samtools \\
+            bam2fq \\
+            $args \\
+            -@ $task.cpus \\
+            $inputbam | gzip > ${prefix}_interleaved.fq.gz
+
+        cat <<-END_VERSIONS > versions.yml
+        "${task.process}":
+            samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//')
+        END_VERSIONS
+        """
+    }
+}
diff --git a/modules/nf-core/modules/samtools/bam2fq/meta.yml b/modules/nf-core/modules/samtools/bam2fq/meta.yml
new file mode 100644
index 0000000..319a60c
--- /dev/null
+++ b/modules/nf-core/modules/samtools/bam2fq/meta.yml
@@ -0,0 +1,55 @@
+name: samtools_bam2fq
+description: |
+  The module uses bam2fq method from samtools to
+  convert a SAM, BAM or CRAM file to FASTQ format
+keywords:
+  - bam2fq
+  - samtools
+  - fastq
+tools:
+  - samtools:
+      description: Tools for dealing with SAM, BAM and CRAM files
+      homepage: None
+      documentation: http://www.htslib.org/doc/1.1/samtools.html
+      tool_dev_url: None
+      doi: ""
+      licence: ["MIT"]
+
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - inputbam:
+      type: file
+      description: BAM/CRAM/SAM file
+      pattern: "*.{bam,cram,sam}"
+  - split:
+      type: boolean
+      description: |
+        TRUE/FALSE value to indicate if reads should be separated into
+        /1, /2 and if present other, or singleton.
+        Note: choosing TRUE will generate 4 different files.
+        Choosing FALSE will produce a single file, which will be interleaved in case
+        the input contains paired reads.
+
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+  - reads:
+      type: file
+      description: |
+        FASTQ files, which will be either a group of 4 files (read_1, read_2, other and singleton)
+        or a single interleaved .fq.gz file if the user chooses not to split the reads.
+      pattern: "*.fq.gz"
+
+authors:
+  - "@lescai"
diff --git a/modules/nf-core/modules/samtools/view/main.nf b/modules/nf-core/modules/samtools/view/main.nf
new file mode 100644
index 0000000..11cfb74
--- /dev/null
+++ b/modules/nf-core/modules/samtools/view/main.nf
@@ -0,0 +1,44 @@
+process SAMTOOLS_VIEW {
+    tag "$meta.id"
+    label 'process_medium'
+
+    conda (params.enable_conda ? "bioconda::samtools=1.15.1" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/samtools:1.15.1--h1170115_0' :
+        'quay.io/biocontainers/samtools:1.15.1--h1170115_0' }"
+
+    input:
+    tuple val(meta), path(input), path(index)
+    path fasta
+
+    output:
+    tuple val(meta), path("*.bam") , emit: bam , optional: true
+    tuple val(meta), path("*.cram"), emit: cram, optional: true
+    path  "versions.yml"           , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def args2 = task.ext.args2 ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    def reference = fasta ? "--reference ${fasta} -C" : ""
+    def file_type = input.getExtension()
+    if ("$input" == "${prefix}.${file_type}") error "Input and output names are the same, use \"task.ext.prefix\" to disambiguate!"
+    """
+    samtools \\
+        view \\
+        --threads ${task.cpus-1} \\
+        ${reference} \\
+        $args \\
+        $input \\
+        $args2 \\
+        > ${prefix}.${file_type}
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//')
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/modules/samtools/view/meta.yml b/modules/nf-core/modules/samtools/view/meta.yml
new file mode 100644
index 0000000..a8b43ec
--- /dev/null
+++ b/modules/nf-core/modules/samtools/view/meta.yml
@@ -0,0 +1,57 @@
+name: samtools_view
+description: filter/convert SAM/BAM/CRAM file
+keywords:
+  - view
+  - bam
+  - sam
+  - cram
+tools:
+  - samtools:
+      description: |
+        SAMtools is a set of utilities for interacting with and post-processing
+        short DNA sequence read alignments in the SAM, BAM and CRAM formats, written by Heng Li.
+        These files are generated as output by short read aligners like BWA.
+      homepage: http://www.htslib.org/
+      documentation: hhttp://www.htslib.org/doc/samtools.html
+      doi: 10.1093/bioinformatics/btp352
+      licence: ["MIT"]
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - input:
+      type: file
+      description: BAM/CRAM/SAM file
+      pattern: "*.{bam,cram,sam}"
+  - index:
+      type: optional file
+      description: BAM.BAI/CRAM.CRAI file
+      pattern: "*.{.bai,.crai}"
+  - fasta:
+      type: optional file
+      description: Reference file the CRAM was created with
+      pattern: "*.{fasta,fa}"
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - bam:
+      type: file
+      description: filtered/converted BAM/SAM file
+      pattern: "*.{bam,sam}"
+  - cram:
+      type: file
+      description: filtered/converted CRAM file
+      pattern: "*.cram"
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+authors:
+  - "@drpatelh"
+  - "@joseespinosa"
+  - "@FriederikeHanssen"
diff --git a/nf-core/modules/samtools/bam2fq/main.nf b/nf-core/modules/samtools/bam2fq/main.nf
new file mode 100644
index 0000000..5d6aa79
--- /dev/null
+++ b/nf-core/modules/samtools/bam2fq/main.nf
@@ -0,0 +1,56 @@
+process SAMTOOLS_BAM2FQ {
+    tag "$meta.id"
+    label 'process_low'
+
+    conda (params.enable_conda ? "bioconda::samtools=1.15.1" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/samtools:1.15.1--h1170115_0' :
+        'quay.io/biocontainers/samtools:1.15.1--h1170115_0' }"
+
+    input:
+    tuple val(meta), path(inputbam)
+    val split
+
+    output:
+    tuple val(meta), path("*.fq.gz"), emit: reads
+    path "versions.yml"             , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
+
+    if (split){
+        """
+        samtools \\
+            bam2fq \\
+            $args \\
+            -@ $task.cpus \\
+            -1 ${prefix}_1.fq.gz \\
+            -2 ${prefix}_2.fq.gz \\
+            -0 ${prefix}_other.fq.gz \\
+            -s ${prefix}_singleton.fq.gz \\
+            $inputbam
+
+        cat <<-END_VERSIONS > versions.yml
+        "${task.process}":
+            samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//')
+        END_VERSIONS
+        """
+    } else {
+        """
+        samtools \\
+            bam2fq \\
+            $args \\
+            -@ $task.cpus \\
+            $inputbam >${prefix}_interleaved.fq.gz
+
+        cat <<-END_VERSIONS > versions.yml
+        "${task.process}":
+            samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//')
+        END_VERSIONS
+        """
+    }
+}
diff --git a/nf-core/modules/samtools/bam2fq/meta.yml b/nf-core/modules/samtools/bam2fq/meta.yml
new file mode 100644
index 0000000..319a60c
--- /dev/null
+++ b/nf-core/modules/samtools/bam2fq/meta.yml
@@ -0,0 +1,55 @@
+name: samtools_bam2fq
+description: |
+  The module uses bam2fq method from samtools to
+  convert a SAM, BAM or CRAM file to FASTQ format
+keywords:
+  - bam2fq
+  - samtools
+  - fastq
+tools:
+  - samtools:
+      description: Tools for dealing with SAM, BAM and CRAM files
+      homepage: None
+      documentation: http://www.htslib.org/doc/1.1/samtools.html
+      tool_dev_url: None
+      doi: ""
+      licence: ["MIT"]
+
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - inputbam:
+      type: file
+      description: BAM/CRAM/SAM file
+      pattern: "*.{bam,cram,sam}"
+  - split:
+      type: boolean
+      description: |
+        TRUE/FALSE value to indicate if reads should be separated into
+        /1, /2 and if present other, or singleton.
+        Note: choosing TRUE will generate 4 different files.
+        Choosing FALSE will produce a single file, which will be interleaved in case
+        the input contains paired reads.
+
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+  - reads:
+      type: file
+      description: |
+        FASTQ files, which will be either a group of 4 files (read_1, read_2, other and singleton)
+        or a single interleaved .fq.gz file if the user chooses not to split the reads.
+      pattern: "*.fq.gz"
+
+authors:
+  - "@lescai"

From 5e6be52fab87d6b6a7f14ce254f63b02ad682a63 Mon Sep 17 00:00:00 2001
From: ljmesi <37740329+ljmesi@users.noreply.github.com>
Date: Tue, 3 May 2022 09:34:27 +0200
Subject: [PATCH 195/789] Implement hostremoval

---
 nextflow.config                            | 18 ++++++---
 subworkflows/local/longread_hostremoval.nf | 47 ++++++++++++++++++++++
 workflows/taxprofiler.nf                   | 17 ++++++--
 3 files changed, 72 insertions(+), 10 deletions(-)
 create mode 100644 subworkflows/local/longread_hostremoval.nf

diff --git a/nextflow.config b/nextflow.config
index 5644786..04273f1 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -81,12 +81,18 @@ params {
     save_runmerged_reads        = false
 
     // Host Removal
-    perform_shortread_hostremoval     = false
-    shortread_hostremoval_reference   = null
-    shortread_hostremoval_index       = null
-    save_hostremoval_index            = false
-    save_hostremoval_mapped           = false
-    save_hostremoval_unmapped         = false
+    perform_shortread_hostremoval      = false
+    shortread_hostremoval_reference    = null
+    shortread_hostremoval_index        = null
+    longread_hostremoval_index         = null
+    save_hostremoval_index             = false
+    save_hostremoval_mapped            = false
+    save_hostremoval_unmapped          = false
+    save_minimap2_hostremoval_index    = false
+    save_minimap2_hostremoval_mapped   = false
+    save_minimap2_hostremoval_unmapped = false
+    save_samtools_unmapped_bam         = false
+    save_minimap2_unmapped_fq          = false
 
     // MALT
     run_malt                   = false
diff --git a/subworkflows/local/longread_hostremoval.nf b/subworkflows/local/longread_hostremoval.nf
new file mode 100644
index 0000000..7db020b
--- /dev/null
+++ b/subworkflows/local/longread_hostremoval.nf
@@ -0,0 +1,47 @@
+//
+// Remove host reads via alignment and export off-target reads
+//
+
+include { MINIMAP2_INDEX             } from '../../modules/nf-core/modules/minimap2/index/main'
+include { MINIMAP2_ALIGN             } from '../../modules/nf-core/modules/minimap2/align/main'
+include { SAMTOOLS_VIEW              } from '../../modules/nf-core/modules/samtools/view/main'
+include { SAMTOOLS_BAM2FQ            } from '../../modules/nf-core/modules/samtools/bam2fq/main'
+
+workflow LONGREAD_HOSTREMOVAL {
+    take:
+    reads     // [ [ meta ], [ reads ] ]
+    reference // /path/to/fasta
+    index     // /path/to/index
+
+    main:
+    ch_versions       = Channel.empty()
+    ch_multiqc_files  = Channel.empty()
+
+    if ( !params.longread_hostremoval_index ) {
+        ch_minimap2_index = MINIMAP2_INDEX ( reference ).index
+        ch_versions       = ch_versions.mix( MINIMAP2_INDEX.out.versions )
+    } else {
+        ch_minimap2_index = index
+    }
+
+    MINIMAP2_ALIGN ( reads, ch_minimap2_index, true, false, false )
+    ch_versions        = ch_versions.mix( MINIMAP2_ALIGN.out.versions.first() )
+    ch_minimap2_mapped = MINIMAP2_ALIGN.out.bam
+        .map {
+            meta, reads ->
+                [ meta, reads, [] ]
+        }
+
+
+    SAMTOOLS_VIEW ( ch_minimap2_mapped , [] )
+    ch_versions      = ch_versions.mix( SAMTOOLS_VIEW.out.versions.first() )
+
+    SAMTOOLS_BAM2FQ ( SAMTOOLS_VIEW.out.bam, false )
+    ch_versions      = ch_versions.mix( SAMTOOLS_BAM2FQ.out.versions.first() )
+
+
+    emit:
+    reads    = SAMTOOLS_BAM2FQ.out.reads   // channel: [ val(meta), [ reads ] ]
+    versions = ch_versions                 // channel: [ versions.yml ]
+}
+
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index a0046b2..9eb53a3 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -26,7 +26,8 @@ if (params.perform_shortread_hostremoval && !params.shortread_hostremoval_refere
 if (!params.shortread_hostremoval_reference && params.shortread_hostremoval_reference_index) { exit 1, "ERROR: [nf-core/taxprofiler] --shortread_hostremoval_index provided but no --shortread_hostremoval_reference FASTA supplied. Check input." }
 
 if (params.shortread_hostremoval_reference ) { ch_reference       = file(params.shortread_hostremoval_reference) }
-if (params.shortread_hostremoval_index     ) { ch_reference_index = file(params.shortread_hostremoval_index    ) } else { ch_reference_index = [] }
+if (params.shortread_hostremoval_index     ) { ch_shortread_reference_index = file(params.shortread_hostremoval_index    ) } else { ch_shortread_reference_index = [] }
+if (params.longread_hostremoval_index      ) { ch_longread_reference_index  = file(params.longread_hostremoval_index     ) } else { ch_longread_reference_index  = [] }
 
 /*
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
@@ -52,6 +53,7 @@ include { DB_CHECK                      } from '../subworkflows/local/db_check'
 include { SHORTREAD_PREPROCESSING       } from '../subworkflows/local/shortread_preprocessing'
 include { LONGREAD_PREPROCESSING        } from '../subworkflows/local/longread_preprocessing'
 include { SHORTREAD_HOSTREMOVAL         } from '../subworkflows/local/shortread_hostremoval'
+include { LONGREAD_HOSTREMOVAL          } from '../subworkflows/local/longread_hostremoval'
 include { SHORTREAD_COMPLEXITYFILTERING } from '../subworkflows/local/shortread_complexityfiltering'
 include { PROFILING                     } from '../subworkflows/local/profiling'
 
@@ -141,16 +143,23 @@ workflow TAXPROFILER {
     */
 
     if ( params.perform_shortread_hostremoval ) {
-        ch_shortreads_hostremoved = SHORTREAD_HOSTREMOVAL ( ch_shortreads_filtered, ch_reference, ch_reference_index ).reads
+        ch_shortreads_hostremoved = SHORTREAD_HOSTREMOVAL ( ch_shortreads_filtered, ch_reference, ch_shortread_reference_index ).reads
         ch_versions = ch_versions.mix(SHORTREAD_HOSTREMOVAL.out.versions)
     } else {
         ch_shortreads_hostremoved = ch_shortreads_filtered
     }
 
+    if ( params.perform_longread_hostremoval ) {
+        ch_longreads_hostremoved = LONGREAD_HOSTREMOVAL ( ch_longreads_preprocessed, ch_reference, ch_longread_reference_index ).reads
+        ch_versions = ch_versions.mix(LONGREAD_HOSTREMOVAL.out.versions)
+    } else {
+        ch_longreads_hostremoved = ch_longreads_preprocessed
+    }
+
     if ( params.perform_runmerging ) {
 
         ch_reads_for_cat_branch = ch_shortreads_hostremoved
-            .mix( ch_longreads_preprocessed )
+            .mix( ch_longreads_hostremoved )
             .map {
                 meta, reads ->
                     def meta_new = meta.clone()
@@ -182,7 +191,7 @@ workflow TAXPROFILER {
 
     } else {
         ch_reads_runmerged = ch_shortreads_hostremoved
-            .mix( ch_longreads_preprocessed, INPUT_CHECK.out.fasta )
+            .mix( ch_longreads_hostremoved, INPUT_CHECK.out.fasta )
     }
 
     /*

From afdebaf09a41cfc6fd3f3d3455f3f69b1e1dc608 Mon Sep 17 00:00:00 2001
From: ljmesi <37740329+ljmesi@users.noreply.github.com>
Date: Tue, 3 May 2022 10:15:11 +0200
Subject: [PATCH 196/789] Remove own modification to a module

---
 modules/nf-core/modules/samtools/bam2fq/main.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/nf-core/modules/samtools/bam2fq/main.nf b/modules/nf-core/modules/samtools/bam2fq/main.nf
index 554af48..0dd1da9 100644
--- a/modules/nf-core/modules/samtools/bam2fq/main.nf
+++ b/modules/nf-core/modules/samtools/bam2fq/main.nf
@@ -45,7 +45,7 @@ process SAMTOOLS_BAM2FQ {
             bam2fq \\
             $args \\
             -@ $task.cpus \\
-            $inputbam | gzip > ${prefix}_interleaved.fq.gz
+            $inputbam > ${prefix}_interleaved.fq.gz
 
         cat <<-END_VERSIONS > versions.yml
         "${task.process}":

From fa1c13263573e5cda53fb2468e8c339ec0ad0ecf Mon Sep 17 00:00:00 2001
From: ljmesi <37740329+ljmesi@users.noreply.github.com>
Date: Tue, 3 May 2022 11:03:25 +0200
Subject: [PATCH 197/789] Update nextflow_schema

---
 nextflow_schema.json | 67 ++++++++++++++++++++++++++++++++++++++++----
 1 file changed, 61 insertions(+), 6 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index f429d1b..d3878c1 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,7 +10,10 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["input", "outdir"],
+            "required": [
+                "input",
+                "outdir"
+            ],
             "properties": {
                 "input": {
                     "type": "string",
@@ -173,7 +176,14 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
+                    "enum": [
+                        "symlink",
+                        "rellink",
+                        "link",
+                        "copy",
+                        "copyNoFollow",
+                        "move"
+                    ],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -294,7 +304,10 @@
         "shortread_clipmerge_tool": {
             "type": "string",
             "default": "fastp",
-            "enum": ["fastp", "adapterremoval"]
+            "enum": [
+                "fastp",
+                "adapterremoval"
+            ]
         },
         "shortread_clipmerge_skipadaptertrim": {
             "type": "boolean"
@@ -335,7 +348,10 @@
         "shortread_complexityfilter_prinseqplusplus_mode": {
             "type": "string",
             "default": "entropy",
-            "enum": ["entropy", "dust"]
+            "enum": [
+                "entropy",
+                "dust"
+            ]
         },
         "shortread_complexityfilter_prinseqplusplus_dustscore": {
             "type": "number",
@@ -388,7 +404,14 @@
         "kaiju_taxon_name": {
             "type": "string",
             "default": "species",
-            "enum": ["phylum", "class", "order", "family", "genus", "species"]
+            "enum": [
+                "phylum",
+                "class",
+                "order",
+                "family",
+                "genus",
+                "species"
+            ]
         },
         "run_diamond": {
             "type": "boolean"
@@ -396,7 +419,39 @@
         "diamond_output_format": {
             "type": "string",
             "default": "tsv",
-            "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"]
+            "enum": [
+                "blast",
+                "xml",
+                "txt",
+                "daa",
+                "sam",
+                "tsv",
+                "paf"
+            ]
+        },
+        "longread_hostremoval_index": {
+            "type": "string",
+            "default": null
+        },
+        "save_minimap2_hostremoval_index": {
+            "type": "string",
+            "default": "false",
+            "description": "Flag for publishing minimap2 host removal index"
+        },
+        "save_minimap2_hostremoval_mapped": {
+            "type": "string",
+            "default": "false",
+            "description": "Flag for publishinig bam file with all long reads mapped to a reference"
+        },
+        "save_samtools_unmapped_bam": {
+            "type": "string",
+            "default": "false",
+            "description": "Flag for publishing bam for reads that did not map to the host reference"
+        },
+        "save_minimap2_unmapped_fq": {
+            "type": "string",
+            "default": "false",
+            "description": "Flag for publishing fastq files for reads that did not map to the host reference"
         }
     }
 }

From 4b2a3789cd7ba15ac41f32f6179bcc1665cb8e47 Mon Sep 17 00:00:00 2001
From: ljmesi <37740329+ljmesi@users.noreply.github.com>
Date: Tue, 3 May 2022 11:03:48 +0200
Subject: [PATCH 198/789] Update default values for host removal parameters

---
 nextflow.config | 24 ++++++++++++------------
 1 file changed, 12 insertions(+), 12 deletions(-)

diff --git a/nextflow.config b/nextflow.config
index 04273f1..95daba9 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -81,18 +81,18 @@ params {
     save_runmerged_reads        = false
 
     // Host Removal
-    perform_shortread_hostremoval      = false
-    shortread_hostremoval_reference    = null
-    shortread_hostremoval_index        = null
-    longread_hostremoval_index         = null
-    save_hostremoval_index             = false
-    save_hostremoval_mapped            = false
-    save_hostremoval_unmapped          = false
-    save_minimap2_hostremoval_index    = false
-    save_minimap2_hostremoval_mapped   = false
-    save_minimap2_hostremoval_unmapped = false
-    save_samtools_unmapped_bam         = false
-    save_minimap2_unmapped_fq          = false
+    perform_shortread_hostremoval          = false
+    shortread_hostremoval_reference        = null
+    shortread_hostremoval_index            = null
+    save_hostremoval_index                 = false
+    save_hostremoval_mapped                = false
+    save_hostremoval_unmapped              = false
+    longread_hostremoval_index             = null
+    save_minimap2_hostremoval_index        = false
+    save_minimap2_hostremoval_mapped       = false
+    save_samtools_unmapped_bam             = false
+    save_minimap2_unmapped_fq              = false
+
 
     // MALT
     run_malt                   = false

From 17039ebc6b143870331c4d2f8976a0fe63de0736 Mon Sep 17 00:00:00 2001
From: ljmesi <37740329+ljmesi@users.noreply.github.com>
Date: Tue, 3 May 2022 11:07:23 +0200
Subject: [PATCH 199/789] Fix type to boolean for flags

---
 nextflow_schema.json | 16 ++++++----------
 1 file changed, 6 insertions(+), 10 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index d3878c1..257f5cb 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -431,27 +431,23 @@
         },
         "longread_hostremoval_index": {
             "type": "string",
-            "default": null
+            "default": "None"
         },
         "save_minimap2_hostremoval_index": {
-            "type": "string",
-            "default": "false",
+            "type": "boolean",
             "description": "Flag for publishing minimap2 host removal index"
         },
         "save_minimap2_hostremoval_mapped": {
-            "type": "string",
-            "default": "false",
+            "type": "boolean",
             "description": "Flag for publishinig bam file with all long reads mapped to a reference"
         },
         "save_samtools_unmapped_bam": {
-            "type": "string",
-            "default": "false",
+            "type": "boolean",
             "description": "Flag for publishing bam for reads that did not map to the host reference"
         },
         "save_minimap2_unmapped_fq": {
-            "type": "string",
-            "default": "false",
+            "type": "boolean",
             "description": "Flag for publishing fastq files for reads that did not map to the host reference"
         }
     }
-}
+}
\ No newline at end of file

From 58d4dec70be5ac5eb2356aac351593c27f77502a Mon Sep 17 00:00:00 2001
From: ljmesi <37740329+ljmesi@users.noreply.github.com>
Date: Tue, 3 May 2022 11:09:54 +0200
Subject: [PATCH 200/789] Update samtools view

---
 modules.json                                  |  2 +-
 modules/nf-core/modules/samtools/view/main.nf | 12 ++++++++++++
 2 files changed, 13 insertions(+), 1 deletion(-)

diff --git a/modules.json b/modules.json
index 071234d..b568d9c 100644
--- a/modules.json
+++ b/modules.json
@@ -73,7 +73,7 @@
                 "git_sha": "897c33d5da084b61109500ee44c01da2d3e4e773"
             },
             "samtools/view": {
-                "git_sha": "12afb6b0faf3cabf769c9a2a7dd477e3f066eac0"
+                "git_sha": "6b64f9cb6c3dd3577931cc3cd032d6fb730000ce"
             },
             "untar": {
                 "git_sha": "e080f4c8acf5760039ed12ec1f206170f3f9a918"
diff --git a/modules/nf-core/modules/samtools/view/main.nf b/modules/nf-core/modules/samtools/view/main.nf
index 11cfb74..55194e8 100644
--- a/modules/nf-core/modules/samtools/view/main.nf
+++ b/modules/nf-core/modules/samtools/view/main.nf
@@ -41,4 +41,16 @@ process SAMTOOLS_VIEW {
         samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//')
     END_VERSIONS
     """
+
+    stub:
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    """
+    touch ${prefix}.bam
+    touch ${prefix}.cram
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//')
+    END_VERSIONS
+    """
 }

From c833d4fd9ae037e297eda9dea69045715fc4a064 Mon Sep 17 00:00:00 2001
From: ljmesi <37740329+ljmesi@users.noreply.github.com>
Date: Tue, 3 May 2022 11:42:05 +0200
Subject: [PATCH 201/789] Fix issues found with prettier

---
 modules.json         |  2 +-
 nextflow_schema.json | 45 +++++++-------------------------------------
 2 files changed, 8 insertions(+), 39 deletions(-)

diff --git a/modules.json b/modules.json
index b568d9c..ce1fbc5 100644
--- a/modules.json
+++ b/modules.json
@@ -80,4 +80,4 @@
             }
         }
     }
-}
\ No newline at end of file
+}
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 257f5cb..1902e27 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,10 +10,7 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": [
-                "input",
-                "outdir"
-            ],
+            "required": ["input", "outdir"],
             "properties": {
                 "input": {
                     "type": "string",
@@ -176,14 +173,7 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": [
-                        "symlink",
-                        "rellink",
-                        "link",
-                        "copy",
-                        "copyNoFollow",
-                        "move"
-                    ],
+                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -304,10 +294,7 @@
         "shortread_clipmerge_tool": {
             "type": "string",
             "default": "fastp",
-            "enum": [
-                "fastp",
-                "adapterremoval"
-            ]
+            "enum": ["fastp", "adapterremoval"]
         },
         "shortread_clipmerge_skipadaptertrim": {
             "type": "boolean"
@@ -348,10 +335,7 @@
         "shortread_complexityfilter_prinseqplusplus_mode": {
             "type": "string",
             "default": "entropy",
-            "enum": [
-                "entropy",
-                "dust"
-            ]
+            "enum": ["entropy", "dust"]
         },
         "shortread_complexityfilter_prinseqplusplus_dustscore": {
             "type": "number",
@@ -404,14 +388,7 @@
         "kaiju_taxon_name": {
             "type": "string",
             "default": "species",
-            "enum": [
-                "phylum",
-                "class",
-                "order",
-                "family",
-                "genus",
-                "species"
-            ]
+            "enum": ["phylum", "class", "order", "family", "genus", "species"]
         },
         "run_diamond": {
             "type": "boolean"
@@ -419,15 +396,7 @@
         "diamond_output_format": {
             "type": "string",
             "default": "tsv",
-            "enum": [
-                "blast",
-                "xml",
-                "txt",
-                "daa",
-                "sam",
-                "tsv",
-                "paf"
-            ]
+            "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"]
         },
         "longread_hostremoval_index": {
             "type": "string",
@@ -450,4 +419,4 @@
             "description": "Flag for publishing fastq files for reads that did not map to the host reference"
         }
     }
-}
\ No newline at end of file
+}

From f4abbe280ab6497a220fde116f606d588b49bf73 Mon Sep 17 00:00:00 2001
From: ljmesi <37740329+ljmesi@users.noreply.github.com>
Date: Tue, 3 May 2022 12:56:49 +0200
Subject: [PATCH 202/789] Fix back to nf-core modules version

---
 .../nf-core/modules/samtools/bam2fq/main.nf   |  2 +-
 nf-core/modules/samtools/bam2fq/main.nf       | 56 -------------------
 nf-core/modules/samtools/bam2fq/meta.yml      | 55 ------------------
 3 files changed, 1 insertion(+), 112 deletions(-)
 delete mode 100644 nf-core/modules/samtools/bam2fq/main.nf
 delete mode 100644 nf-core/modules/samtools/bam2fq/meta.yml

diff --git a/modules/nf-core/modules/samtools/bam2fq/main.nf b/modules/nf-core/modules/samtools/bam2fq/main.nf
index 0dd1da9..5d6aa79 100644
--- a/modules/nf-core/modules/samtools/bam2fq/main.nf
+++ b/modules/nf-core/modules/samtools/bam2fq/main.nf
@@ -45,7 +45,7 @@ process SAMTOOLS_BAM2FQ {
             bam2fq \\
             $args \\
             -@ $task.cpus \\
-            $inputbam > ${prefix}_interleaved.fq.gz
+            $inputbam >${prefix}_interleaved.fq.gz
 
         cat <<-END_VERSIONS > versions.yml
         "${task.process}":
diff --git a/nf-core/modules/samtools/bam2fq/main.nf b/nf-core/modules/samtools/bam2fq/main.nf
deleted file mode 100644
index 5d6aa79..0000000
--- a/nf-core/modules/samtools/bam2fq/main.nf
+++ /dev/null
@@ -1,56 +0,0 @@
-process SAMTOOLS_BAM2FQ {
-    tag "$meta.id"
-    label 'process_low'
-
-    conda (params.enable_conda ? "bioconda::samtools=1.15.1" : null)
-    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/samtools:1.15.1--h1170115_0' :
-        'quay.io/biocontainers/samtools:1.15.1--h1170115_0' }"
-
-    input:
-    tuple val(meta), path(inputbam)
-    val split
-
-    output:
-    tuple val(meta), path("*.fq.gz"), emit: reads
-    path "versions.yml"             , emit: versions
-
-    when:
-    task.ext.when == null || task.ext.when
-
-    script:
-    def args = task.ext.args ?: ''
-    def prefix = task.ext.prefix ?: "${meta.id}"
-
-    if (split){
-        """
-        samtools \\
-            bam2fq \\
-            $args \\
-            -@ $task.cpus \\
-            -1 ${prefix}_1.fq.gz \\
-            -2 ${prefix}_2.fq.gz \\
-            -0 ${prefix}_other.fq.gz \\
-            -s ${prefix}_singleton.fq.gz \\
-            $inputbam
-
-        cat <<-END_VERSIONS > versions.yml
-        "${task.process}":
-            samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//')
-        END_VERSIONS
-        """
-    } else {
-        """
-        samtools \\
-            bam2fq \\
-            $args \\
-            -@ $task.cpus \\
-            $inputbam >${prefix}_interleaved.fq.gz
-
-        cat <<-END_VERSIONS > versions.yml
-        "${task.process}":
-            samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//')
-        END_VERSIONS
-        """
-    }
-}
diff --git a/nf-core/modules/samtools/bam2fq/meta.yml b/nf-core/modules/samtools/bam2fq/meta.yml
deleted file mode 100644
index 319a60c..0000000
--- a/nf-core/modules/samtools/bam2fq/meta.yml
+++ /dev/null
@@ -1,55 +0,0 @@
-name: samtools_bam2fq
-description: |
-  The module uses bam2fq method from samtools to
-  convert a SAM, BAM or CRAM file to FASTQ format
-keywords:
-  - bam2fq
-  - samtools
-  - fastq
-tools:
-  - samtools:
-      description: Tools for dealing with SAM, BAM and CRAM files
-      homepage: None
-      documentation: http://www.htslib.org/doc/1.1/samtools.html
-      tool_dev_url: None
-      doi: ""
-      licence: ["MIT"]
-
-input:
-  - meta:
-      type: map
-      description: |
-        Groovy Map containing sample information
-        e.g. [ id:'test', single_end:false ]
-  - inputbam:
-      type: file
-      description: BAM/CRAM/SAM file
-      pattern: "*.{bam,cram,sam}"
-  - split:
-      type: boolean
-      description: |
-        TRUE/FALSE value to indicate if reads should be separated into
-        /1, /2 and if present other, or singleton.
-        Note: choosing TRUE will generate 4 different files.
-        Choosing FALSE will produce a single file, which will be interleaved in case
-        the input contains paired reads.
-
-output:
-  - meta:
-      type: map
-      description: |
-        Groovy Map containing sample information
-        e.g. [ id:'test', single_end:false ]
-  - versions:
-      type: file
-      description: File containing software versions
-      pattern: "versions.yml"
-  - reads:
-      type: file
-      description: |
-        FASTQ files, which will be either a group of 4 files (read_1, read_2, other and singleton)
-        or a single interleaved .fq.gz file if the user chooses not to split the reads.
-      pattern: "*.fq.gz"
-
-authors:
-  - "@lescai"

From 59c7f5a5b1b6a3e144a9b1c151e6f2a4c315342f Mon Sep 17 00:00:00 2001
From: ljmesi <37740329+ljmesi@users.noreply.github.com>
Date: Thu, 5 May 2022 08:38:41 +0200
Subject: [PATCH 203/789] Update samtools/bam2fq

---
 modules.json                                    | 4 ++--
 modules/nf-core/modules/samtools/bam2fq/main.nf | 2 +-
 2 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/modules.json b/modules.json
index ce1fbc5..043e4ad 100644
--- a/modules.json
+++ b/modules.json
@@ -70,7 +70,7 @@
                 "git_sha": "f1c5384c31e985591716afdd732cf8c2ae29d05b"
             },
             "samtools/bam2fq": {
-                "git_sha": "897c33d5da084b61109500ee44c01da2d3e4e773"
+                "git_sha": "5510ea39fe638594bc26ac34cadf4a84bf27d159"
             },
             "samtools/view": {
                 "git_sha": "6b64f9cb6c3dd3577931cc3cd032d6fb730000ce"
@@ -80,4 +80,4 @@
             }
         }
     }
-}
+}
\ No newline at end of file
diff --git a/modules/nf-core/modules/samtools/bam2fq/main.nf b/modules/nf-core/modules/samtools/bam2fq/main.nf
index 5d6aa79..9301d1d 100644
--- a/modules/nf-core/modules/samtools/bam2fq/main.nf
+++ b/modules/nf-core/modules/samtools/bam2fq/main.nf
@@ -45,7 +45,7 @@ process SAMTOOLS_BAM2FQ {
             bam2fq \\
             $args \\
             -@ $task.cpus \\
-            $inputbam >${prefix}_interleaved.fq.gz
+            $inputbam | gzip --no-name > ${prefix}_interleaved.fq.gz
 
         cat <<-END_VERSIONS > versions.yml
         "${task.process}":

From 5b7b21415633c3df64cb2d88734d5863b4162a9c Mon Sep 17 00:00:00 2001
From: ljmesi <37740329+ljmesi@users.noreply.github.com>
Date: Thu, 5 May 2022 08:40:53 +0200
Subject: [PATCH 204/789] Fix formatting with prettier

---
 modules.json | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules.json b/modules.json
index 043e4ad..a55c88b 100644
--- a/modules.json
+++ b/modules.json
@@ -80,4 +80,4 @@
             }
         }
     }
-}
\ No newline at end of file
+}

From d94534e8acee01575b589e88549ed64ab4fc4411 Mon Sep 17 00:00:00 2001
From: ljmesi <37740329+ljmesi@users.noreply.github.com>
Date: Thu, 5 May 2022 09:07:33 +0200
Subject: [PATCH 205/789] Simplify params which control host removal publish

---
 conf/modules.config  |  8 ++++----
 nextflow.config      |  6 +-----
 nextflow_schema.json | 16 ----------------
 3 files changed, 5 insertions(+), 25 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index b707954..cd0fb04 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -169,7 +169,7 @@ process {
         publishDir = [
             path: { "${params.outdir}/minimap2/index" },
             mode: params.publish_dir_mode,
-            enabled: params.save_minimap2_hostremoval_index,
+            enabled: params.save_hostremoval_index,
             pattern: 'minimap2'
         ]
     }
@@ -179,7 +179,7 @@ process {
         publishDir = [
             path: { "${params.outdir}/minimap2/align" },
             mode: params.publish_dir_mode,
-            enabled: params.save_minimap2_hostremoval_mapped,
+            enabled: params.save_hostremoval_mapped,
             pattern: '*.bam'
         ]
     }
@@ -190,7 +190,7 @@ process {
         publishDir = [
             path: { "${params.outdir}/samtools/view" },
             mode: params.publish_dir_mode,
-            enabled: params.save_samtools_unmapped_bam,
+            enabled: params.save_hostremoval_unmapped,
             pattern: '*.bam'
         ]
     }
@@ -200,7 +200,7 @@ process {
         publishDir = [
             path: { "${params.outdir}/samtools/bam2fq" },
             mode: params.publish_dir_mode,
-            enabled: params.save_minimap2_unmapped_fq,
+            enabled: params.save_hostremoval_unmapped,
             pattern: '*.fq.gz'
         ]
     }
diff --git a/nextflow.config b/nextflow.config
index 95daba9..8c99af2 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -84,14 +84,10 @@ params {
     perform_shortread_hostremoval          = false
     shortread_hostremoval_reference        = null
     shortread_hostremoval_index            = null
+    longread_hostremoval_index             = null
     save_hostremoval_index                 = false
     save_hostremoval_mapped                = false
     save_hostremoval_unmapped              = false
-    longread_hostremoval_index             = null
-    save_minimap2_hostremoval_index        = false
-    save_minimap2_hostremoval_mapped       = false
-    save_samtools_unmapped_bam             = false
-    save_minimap2_unmapped_fq              = false
 
 
     // MALT
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 1902e27..9e4cc6c 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -401,22 +401,6 @@
         "longread_hostremoval_index": {
             "type": "string",
             "default": "None"
-        },
-        "save_minimap2_hostremoval_index": {
-            "type": "boolean",
-            "description": "Flag for publishing minimap2 host removal index"
-        },
-        "save_minimap2_hostremoval_mapped": {
-            "type": "boolean",
-            "description": "Flag for publishinig bam file with all long reads mapped to a reference"
-        },
-        "save_samtools_unmapped_bam": {
-            "type": "boolean",
-            "description": "Flag for publishing bam for reads that did not map to the host reference"
-        },
-        "save_minimap2_unmapped_fq": {
-            "type": "boolean",
-            "description": "Flag for publishing fastq files for reads that did not map to the host reference"
         }
     }
 }

From 557d31dfd2fecbac2a415ddab780e6a3abc87168 Mon Sep 17 00:00:00 2001
From: ljmesi <37740329+ljmesi@users.noreply.github.com>
Date: Thu, 5 May 2022 13:19:10 +0200
Subject: [PATCH 206/789] Add parameter for turning on longread host removal

---
 conf/test.config     | 2 +-
 docs/usage.md        | 2 +-
 nextflow.config      | 2 +-
 nextflow_schema.json | 4 +++-
 4 files changed, 6 insertions(+), 4 deletions(-)

diff --git a/conf/test.config b/conf/test.config
index a2464b2..6d04f60 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -28,7 +28,7 @@ params {
     perform_longread_clip                 = false
     perform_shortread_complexityfilter    = true
     perform_shortread_hostremoval         = true
-    shortread_hostremoval_reference       = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/homo_sapiens/genome/genome.fasta'
+    perform_longread_hostremoval          = true
     run_kaiju                             = true
     run_kraken2                           = true
     run_malt                              = true
diff --git a/docs/usage.md b/docs/usage.md
index cee2bb6..537b94a 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -191,7 +191,7 @@ You can optionally save the FASTQ output of the run merging with the `--save_com
 
 #### Host Removal
 
-Removal of possible-host reads from FASTQ files prior profiling can be activated with `--perform_shortread_hostremoval`
+Removal of possible-host reads from FASTQ files prior profiling can be activated with `--perform_shortread_hostremoval` or `--perform_longread_hostremoval`.
 
 Similarly to complexity filtering, host-removal can be useful for runtime optimisation and reduction in misclassified reads. It is not always necessary to report classification of reads from a host when you already know the host of the sample, therefore you can gain a run-time and computational advantage by removing these prior typically resource-heavy profiling with more efficient methods. Furthermore, particularly with human samples, you can reduce the number of false positives during profiling that occur due to host-sequence contamination in reference genomes on public databases.
 
diff --git a/nextflow.config b/nextflow.config
index 8c99af2..4ac0c44 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -82,7 +82,7 @@ params {
 
     // Host Removal
     perform_shortread_hostremoval          = false
-    shortread_hostremoval_reference        = null
+    perform_longread_hostremoval           = false
     shortread_hostremoval_index            = null
     longread_hostremoval_index             = null
     save_hostremoval_index                 = false
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 9e4cc6c..d2eee95 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -362,7 +362,9 @@
         "perform_shortread_hostremoval": {
             "type": "boolean"
         },
-        "shortread_hostremoval_reference": {
+        "perform_longread_hostremoval": {
+            "type": "boolean"
+        },
             "type": "string",
             "default": "None"
         },

From 6618e8cac65fe43d40d4952863698801f9b4507b Mon Sep 17 00:00:00 2001
From: ljmesi <37740329+ljmesi@users.noreply.github.com>
Date: Thu, 5 May 2022 13:20:34 +0200
Subject: [PATCH 207/789] Change param to a more generic name

---
 conf/test.config         | 1 +
 docs/usage.md            | 2 +-
 nextflow.config          | 1 +
 nextflow_schema.json     | 1 +
 workflows/taxprofiler.nf | 8 ++++----
 5 files changed, 8 insertions(+), 5 deletions(-)

diff --git a/conf/test.config b/conf/test.config
index 6d04f60..a5244f9 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -29,6 +29,7 @@ params {
     perform_shortread_complexityfilter    = true
     perform_shortread_hostremoval         = true
     perform_longread_hostremoval          = true
+    hostremoval_reference                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/homo_sapiens/genome/genome.fasta'
     run_kaiju                             = true
     run_kraken2                           = true
     run_malt                              = true
diff --git a/docs/usage.md b/docs/usage.md
index 537b94a..1143da3 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -197,7 +197,7 @@ Similarly to complexity filtering, host-removal can be useful for runtime optimi
 
 nf-core/taxprofiler currently offers host-removal via alignment against a reference genome with Bowtie2, and the use of the unaligned reads for downstream profiling.
 
-You can supply your reference genome in FASTA format with `--shortread_hostremoval_reference`. You can also optionally supply a directory containing pre-indexed Bowtie2 index files with `--shortread_hostremoval_index`, however nf-core/taxprofiler will generate this for you if necessary. Pre-supplying the directory of index files can greatly speed up the process, and these can be re-used.
+You can supply your reference genome in FASTA format with `--hostremoval_reference`. You can also optionally supply a directory containing pre-indexed Bowtie2 index files with `--shortread_hostremoval_index`, however nf-core/taxprofiler will generate this for you if necessary. Pre-supplying the directory of index files can greatly speed up the process, and these can be re-used.
 
 > 💡 If you have multiple taxa or sequences you wish to remove (e.g., the host genome and then also PhiX - common quality-control reagent during sequencing) you can simply concatenate the FASTAs of each taxa or sequences into a single reference file.
 
diff --git a/nextflow.config b/nextflow.config
index 4ac0c44..ca9e280 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -83,6 +83,7 @@ params {
     // Host Removal
     perform_shortread_hostremoval          = false
     perform_longread_hostremoval           = false
+    hostremoval_reference                  = null
     shortread_hostremoval_index            = null
     longread_hostremoval_index             = null
     save_hostremoval_index                 = false
diff --git a/nextflow_schema.json b/nextflow_schema.json
index d2eee95..ab2108e 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -365,6 +365,7 @@
         "perform_longread_hostremoval": {
             "type": "boolean"
         },
+        "hostremoval_reference": {
             "type": "string",
             "default": "None"
         },
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 9eb53a3..81ea5d9 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -11,7 +11,7 @@ WorkflowTaxprofiler.initialise(params, log)
 
 // TODO nf-core: Add all file path parameters for the pipeline to the list below
 // Check input path parameters to see if they exist
-def checkPathParamList = [ params.input, params.databases, params.shortread_hostremoval_reference,
+def checkPathParamList = [ params.input, params.databases, params.hostremoval_reference,
                             params.shortread_hostremoval_index, params.multiqc_config
                         ]
 for (param in checkPathParamList) { if (param) { file(param, checkIfExists: true) } }
@@ -22,10 +22,10 @@ if (params.databases) { ch_databases = file(params.databases) } else { exit 1, '
 if (params.shortread_clipmerge_mergepairs && params.run_malt ) log.warn "[nf-core/taxprofiler] MALT does not accept uncollapsed paired-reads. Pairs will be profiled as separate files."
 if (params.shortread_clipmerge_excludeunmerged && !params.shortread_clipmerge_mergepairs) exit 1, "ERROR: [nf-core/taxprofiler] cannot include unmerged reads when merging not turned on. Please specify --shortread_clipmerge_mergepairs"
 
-if (params.perform_shortread_hostremoval && !params.shortread_hostremoval_reference) { exit 1, "ERROR: [nf-core/taxprofiler] --shortread_hostremoval requested but no --shortread_hostremoval_reference FASTA supplied. Check input." }
-if (!params.shortread_hostremoval_reference && params.shortread_hostremoval_reference_index) { exit 1, "ERROR: [nf-core/taxprofiler] --shortread_hostremoval_index provided but no --shortread_hostremoval_reference FASTA supplied. Check input." }
+if (params.perform_shortread_hostremoval && !params.hostremoval_reference) { exit 1, "ERROR: [nf-core/taxprofiler] --shortread_hostremoval requested but no --hostremoval_reference FASTA supplied. Check input." }
+if (!params.hostremoval_reference && params.hostremoval_reference_index) { exit 1, "ERROR: [nf-core/taxprofiler] --shortread_hostremoval_index provided but no --hostremoval_reference FASTA supplied. Check input." }
 
-if (params.shortread_hostremoval_reference ) { ch_reference       = file(params.shortread_hostremoval_reference) }
+if (params.hostremoval_reference ) { ch_reference       = file(params.hostremoval_reference) }
 if (params.shortread_hostremoval_index     ) { ch_shortread_reference_index = file(params.shortread_hostremoval_index    ) } else { ch_shortread_reference_index = [] }
 if (params.longread_hostremoval_index      ) { ch_longread_reference_index  = file(params.longread_hostremoval_index     ) } else { ch_longread_reference_index  = [] }
 

From e3e55f57c26ba462ceb6795be55b312e615ca550 Mon Sep 17 00:00:00 2001
From: ljmesi <37740329+ljmesi@users.noreply.github.com>
Date: Thu, 5 May 2022 14:02:24 +0200
Subject: [PATCH 208/789] Fix alignment

Just made this change to see if the CI tests would fail again or if the
failure was just a one of thing.
---
 workflows/taxprofiler.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 81ea5d9..1f2e9d1 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -47,7 +47,7 @@ ch_multiqc_custom_config = params.multiqc_config ? Channel.fromPath(params.multi
 //
 // SUBWORKFLOW: Consisting of a mix of local and nf-core/modules
 //
-include { INPUT_CHECK             } from '../subworkflows/local/input_check'
+include { INPUT_CHECK                   } from '../subworkflows/local/input_check'
 
 include { DB_CHECK                      } from '../subworkflows/local/db_check'
 include { SHORTREAD_PREPROCESSING       } from '../subworkflows/local/shortread_preprocessing'

From b0faeedc60c654fe445909ceed569ee010c84837 Mon Sep 17 00:00:00 2001
From: Lauri Mesilaakso <john.mesilaakso@gmail.com>
Date: Fri, 6 May 2022 08:20:31 +0200
Subject: [PATCH 209/789] Update workflows/taxprofiler.nf

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 workflows/taxprofiler.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 1f2e9d1..7a6cd09 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -25,7 +25,7 @@ if (params.shortread_clipmerge_excludeunmerged && !params.shortread_clipmerge_me
 if (params.perform_shortread_hostremoval && !params.hostremoval_reference) { exit 1, "ERROR: [nf-core/taxprofiler] --shortread_hostremoval requested but no --hostremoval_reference FASTA supplied. Check input." }
 if (!params.hostremoval_reference && params.hostremoval_reference_index) { exit 1, "ERROR: [nf-core/taxprofiler] --shortread_hostremoval_index provided but no --hostremoval_reference FASTA supplied. Check input." }
 
-if (params.hostremoval_reference ) { ch_reference       = file(params.hostremoval_reference) }
+if (params.hostremoval_reference           ) { ch_reference = file(params.hostremoval_reference) }
 if (params.shortread_hostremoval_index     ) { ch_shortread_reference_index = file(params.shortread_hostremoval_index    ) } else { ch_shortread_reference_index = [] }
 if (params.longread_hostremoval_index      ) { ch_longread_reference_index  = file(params.longread_hostremoval_index     ) } else { ch_longread_reference_index  = [] }
 

From 02517733aa2227d1bc6f4decdb607918de047b2d Mon Sep 17 00:00:00 2001
From: Lauri Mesilaakso <john.mesilaakso@gmail.com>
Date: Fri, 6 May 2022 10:40:59 +0200
Subject: [PATCH 210/789] Update docs/usage.md

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 docs/usage.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/usage.md b/docs/usage.md
index 1143da3..4aa1d09 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -197,7 +197,7 @@ Similarly to complexity filtering, host-removal can be useful for runtime optimi
 
 nf-core/taxprofiler currently offers host-removal via alignment against a reference genome with Bowtie2, and the use of the unaligned reads for downstream profiling.
 
-You can supply your reference genome in FASTA format with `--hostremoval_reference`. You can also optionally supply a directory containing pre-indexed Bowtie2 index files with `--shortread_hostremoval_index`, however nf-core/taxprofiler will generate this for you if necessary. Pre-supplying the directory of index files can greatly speed up the process, and these can be re-used.
+You can supply your reference genome in FASTA format with `--hostremoval_reference`. You can also optionally supply a directory containing pre-indexed Bowtie2 index files with `--shortread_hostremoval_index` or `--longread_hostremoval_index`, however nf-core/taxprofiler will generate this for you if necessary. Pre-supplying the directory of index files can greatly speed up the process, and these can be re-used.
 
 > 💡 If you have multiple taxa or sequences you wish to remove (e.g., the host genome and then also PhiX - common quality-control reagent during sequencing) you can simply concatenate the FASTAs of each taxa or sequences into a single reference file.
 

From 87a1d8051979040f7dd1b6f976b2bd0224a7bf24 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sat, 7 May 2022 05:22:35 +0200
Subject: [PATCH 211/789] Add working output for Kraken2/Centrifuge/DIAMOND

---
 conf/modules.config                           |  4 +-
 conf/test.config                              |  4 ++
 modules.json                                  |  6 +-
 .../nf-core/modules/diamond/blastx/main.nf    | 33 ++++++---
 .../nf-core/modules/diamond/blastx/meta.yml   | 30 +++++++-
 .../nf-core/modules/kraken2/kraken2/main.nf   | 23 ++++--
 .../nf-core/modules/kraken2/kraken2/meta.yml  | 25 +++++--
 nextflow.config                               | 14 ++--
 nextflow_schema.json                          | 71 ++++++++++++++-----
 subworkflows/local/profiling.nf               | 34 ++++++---
 workflows/taxprofiler.nf                      |  2 +
 11 files changed, 181 insertions(+), 65 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index cd0fb04..31d0fca 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -271,7 +271,7 @@ process {
         publishDir = [
             path: { "${params.outdir}/kraken2/${meta.db_name}" },
             mode: params.publish_dir_mode,
-            pattern: '*.{txt}'
+            pattern: '*.{txt,report,fastq.gz}'
         ]
     }
 
@@ -289,7 +289,7 @@ process {
         publishDir = [
             path: { "${params.outdir}/centrifuge/${meta.db_name}" },
             mode: params.publish_dir_mode,
-            pattern: '*.txt'
+            pattern: '*.{txt,sam,gz}'
         ]
         ext.args = { "${meta.db_params}" }
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
diff --git a/conf/test.config b/conf/test.config
index a5244f9..573db42 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -36,6 +36,10 @@ params {
     run_metaphlan3                        = true
     run_centrifuge                        = true
     run_diamond                           = true
+    malt_save_reads                       = true
+    kraken2_save_reads                    = true
+    centrifuge_save_reads                 = true
+    diamond_save_reads                    = true
 }
 
 process {
diff --git a/modules.json b/modules.json
index a55c88b..5cad32e 100644
--- a/modules.json
+++ b/modules.json
@@ -28,7 +28,7 @@
                 "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
             },
             "diamond/blastx": {
-                "git_sha": "42564565b934eeb2449e35ec97ed13ff2a67f1de"
+                "git_sha": "bd3bfe0817246082525ab93707976676b1fe208b"
             },
             "fastp": {
                 "git_sha": "d0a1cbb703a130c19f6796c3fce24fbe7dfce789"
@@ -43,7 +43,7 @@
                 "git_sha": "538dbac98ba9c8f799536cd5a617195501439457"
             },
             "kraken2/kraken2": {
-                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
+                "git_sha": "abe025677cdd805cc93032341ab19885473c1a07"
             },
             "malt/run": {
                 "git_sha": "72b96f4e504eef673f2b5c13560a9d90b669129b"
@@ -80,4 +80,4 @@
             }
         }
     }
-}
+}
\ No newline at end of file
diff --git a/modules/nf-core/modules/diamond/blastx/main.nf b/modules/nf-core/modules/diamond/blastx/main.nf
index 6703c1e..d327227 100644
--- a/modules/nf-core/modules/diamond/blastx/main.nf
+++ b/modules/nf-core/modules/diamond/blastx/main.nf
@@ -2,21 +2,26 @@ process DIAMOND_BLASTX {
     tag "$meta.id"
     label 'process_medium'
 
-    // Dimaond is limited to v2.0.9 because there is not a
-    // singularity version higher than this at the current time.
-    conda (params.enable_conda ? "bioconda::diamond=2.0.9" : null)
+    conda (params.enable_conda ? "bioconda::diamond=2.0.15" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/diamond:2.0.9--hdcc8f71_0' :
-        'quay.io/biocontainers/diamond:2.0.9--hdcc8f71_0' }"
+        'https://depot.galaxyproject.org/singularity/diamond:2.0.15--hb97b32f_0' :
+        'quay.io/biocontainers/diamond:2.0.15--hb97b32f_0' }"
 
     input:
     tuple val(meta), path(fasta)
     path db
-    val outext
+    val out_ext
+    val blast_columns
 
     output:
-    tuple val(meta), path('*.{blast,xml,txt,daa,sam,tsv,paf}'), emit: output
-    path "versions.yml"           , emit: versions
+    tuple val(meta), path('*.blast'), optional: true, emit: blast
+    tuple val(meta), path('*.xml')  , optional: true, emit: xml
+    tuple val(meta), path('*.txt')  , optional: true, emit: txt
+    tuple val(meta), path('*.daa')  , optional: true, emit: daa
+    tuple val(meta), path('*.sam')  , optional: true, emit: sam
+    tuple val(meta), path('*.tsv')  , optional: true, emit: tsv
+    tuple val(meta), path('*.paf')  , optional: true, emit: paf
+    path "versions.yml"                               , emit: versions
 
     when:
     task.ext.when == null || task.ext.when
@@ -24,7 +29,8 @@ process DIAMOND_BLASTX {
     script:
     def args = task.ext.args ?: ''
     def prefix = task.ext.prefix ?: "${meta.id}"
-    switch ( outext ) {
+    def columns = blast_columns ? "${blast_columns}" : ''
+    switch ( out_ext ) {
         case "blast": outfmt = 0; break
         case "xml": outfmt = 5; break
         case "txt": outfmt = 6; break
@@ -32,6 +38,11 @@ process DIAMOND_BLASTX {
         case "sam": outfmt = 101; break
         case "tsv": outfmt = 102; break
         case "paf": outfmt = 103; break
+        default:
+            outfmt = '6';
+            out_ext = 'txt';
+            log.warn("Unknown output file format provided (${out_ext}): selecting DIAMOND default of tabular BLAST output (txt)");
+            break
     }
     """
     DB=`find -L ./ -name "*.dmnd" | sed 's/.dmnd//'`
@@ -41,9 +52,9 @@ process DIAMOND_BLASTX {
         --threads $task.cpus \\
         --db \$DB \\
         --query $fasta \\
-        --outfmt ${outfmt} \\
+        --outfmt ${outfmt} ${columns} \\
         $args \\
-        --out ${prefix}.${outext}
+        --out ${prefix}.${out_ext}
 
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":
diff --git a/modules/nf-core/modules/diamond/blastx/meta.yml b/modules/nf-core/modules/diamond/blastx/meta.yml
index 5ee2d55..2dcd7bc 100644
--- a/modules/nf-core/modules/diamond/blastx/meta.yml
+++ b/modules/nf-core/modules/diamond/blastx/meta.yml
@@ -28,7 +28,7 @@ input:
       type: directory
       description: Directory containing the nucelotide blast database
       pattern: "*"
-  - outext:
+  - out_ext:
       type: string
       description: |
         Specify the type of output file to be generated. `blast` corresponds to
@@ -38,10 +38,34 @@ input:
       pattern: "blast|xml|txt|daa|sam|tsv|paf"
 
 output:
+  - blast:
+      type: file
+      description: File containing blastp hits
+      pattern: "*.{blast}"
+  - xml:
+      type: file
+      description: File containing blastp hits
+      pattern: "*.{xml}"
   - txt:
       type: file
-      description: File containing blastx hits
-      pattern: "*.{blastx.txt}"
+      description: File containing hits in tabular BLAST format.
+      pattern: "*.{txt}"
+  - daa:
+      type: file
+      description: File containing hits DAA format
+      pattern: "*.{daa}"
+  - sam:
+      type: file
+      description: File containing aligned reads in SAM format
+      pattern: "*.{sam}"
+  - tsv:
+      type: file
+      description: Tab separated file containing taxonomic classification of hits
+      pattern: "*.{tsv}"
+  - paf:
+      type: file
+      description: File containing aligned reads in pairwise mapping format format
+      pattern: "*.{paf}"
   - versions:
       type: file
       description: File containing software versions
diff --git a/modules/nf-core/modules/kraken2/kraken2/main.nf b/modules/nf-core/modules/kraken2/kraken2/main.nf
index 3ec5df5..d400023 100644
--- a/modules/nf-core/modules/kraken2/kraken2/main.nf
+++ b/modules/nf-core/modules/kraken2/kraken2/main.nf
@@ -10,12 +10,15 @@ process KRAKEN2_KRAKEN2 {
     input:
     tuple val(meta), path(reads)
     path  db
+    val save_output_fastqs
+    val save_reads_assignment
 
     output:
-    tuple val(meta), path('*classified*')  , emit: classified
-    tuple val(meta), path('*unclassified*'), emit: unclassified
-    tuple val(meta), path('*report.txt')   , emit: txt
-    path "versions.yml"                    , emit: versions
+    tuple val(meta), path('*classified*')     , optional:true, emit: classified_reads_fastq
+    tuple val(meta), path('*unclassified*')   , optional:true, emit: unclassified_reads_fastq
+    tuple val(meta), path('*classifiedreads*'), optional:true, emit: classified_reads_assignment
+    tuple val(meta), path('*report.txt')                     , emit: report
+    path "versions.yml"                                      , emit: versions
 
     when:
     task.ext.when == null || task.ext.when
@@ -26,19 +29,25 @@ process KRAKEN2_KRAKEN2 {
     def paired       = meta.single_end ? "" : "--paired"
     def classified   = meta.single_end ? "${prefix}.classified.fastq"   : "${prefix}.classified#.fastq"
     def unclassified = meta.single_end ? "${prefix}.unclassified.fastq" : "${prefix}.unclassified#.fastq"
+    def classified_command = save_output_fastqs ? "--classified-out ${classified}" : ""
+    def unclassified_command = save_output_fastqs ? "--unclassified-out ${unclassified}" : ""
+    def readclassification_command = save_reads_assignment ? "--output ${prefix}.kraken2.classifiedreads.txt" : ""
+    def compress_reads_command = save_output_fastqs ? "pigz -p $task.cpus *.fastq" : ""
+
     """
     kraken2 \\
         --db $db \\
         --threads $task.cpus \\
-        --unclassified-out $unclassified \\
-        --classified-out $classified \\
         --report ${prefix}.kraken2.report.txt \\
         --gzip-compressed \\
+        $unclassified_command \\
+        $classified_command \\
+        $readclassification_command \\
         $paired \\
         $args \\
         $reads
 
-    pigz -p $task.cpus *.fastq
+    $compress_reads_command
 
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":
diff --git a/modules/nf-core/modules/kraken2/kraken2/meta.yml b/modules/nf-core/modules/kraken2/kraken2/meta.yml
index 9d6a385..7129fe3 100644
--- a/modules/nf-core/modules/kraken2/kraken2/meta.yml
+++ b/modules/nf-core/modules/kraken2/kraken2/meta.yml
@@ -27,25 +27,40 @@ input:
   - db:
       type: directory
       description: Kraken2 database
+  - save_output_fastqs:
+      type: boolean
+      description: |
+        If true, optional commands are added to save classified and unclassified reads
+        as fastq files
+  - save_reads_assignment:
+      type: boolean
+      description: |
+        If true, an optional command is added to save a file reporting the taxonomic
+        classification of each input read
 output:
   - meta:
       type: map
       description: |
         Groovy Map containing sample information
         e.g. [ id:'test', single_end:false ]
-  - classified:
+  - classified_reads_fastq:
       type: file
       description: |
-        Reads classified to belong to any of the taxa
+        Reads classified as belonging to any of the taxa
         on the Kraken2 database.
       pattern: "*{fastq.gz}"
-  - unclassified:
+  - unclassified_reads_fastq:
       type: file
       description: |
-        Reads not classified to belong to any of the taxa
+        Reads not classified to any of the taxa
         on the Kraken2 database.
       pattern: "*{fastq.gz}"
-  - txt:
+  - classified_reads_assignment:
+      type: file
+      description: |
+        Kraken2 output file indicating the taxonomic assignment of
+        each input read
+  - report:
       type: file
       description: |
         Kraken2 report containing stats about classified
diff --git a/nextflow.config b/nextflow.config
index ca9e280..3f76d53 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -94,16 +94,17 @@ params {
     // MALT
     run_malt                   = false
     malt_mode                  = 'BlastN'
-    malt_generatemegansummary = false
+    malt_generate_megansummary = false
+    malt_save_reads            = false
 
     // kraken2
-    run_kraken2                = false
+    run_kraken2                     = false
+    kraken2_save_reads              = false
+    kraken2_save_readclassification = false
 
     // centrifuge
     run_centrifuge             = false
-    centrifuge_save_unaligned  = false
-    centrifuge_save_aligned    = false
-    centrifuge_sam_format      = false
+    centrifuge_save_reads      = false
 
     // metaphlan3
     run_metaphlan3             = false
@@ -114,7 +115,8 @@ params {
 
     // diamond
     run_diamond                = false
-    diamond_output_format      = 'txt'
+    diamond_output_format      = 'tsv'  // TSV is only format with taxonomic information apparently
+    diamond_save_reads         = false // this will override diamound output format so no taxonomic profile is generated!
 }
 
 // Load base.config by default for all pipelines
diff --git a/nextflow_schema.json b/nextflow_schema.json
index ab2108e..bb4b759 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,7 +10,10 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["input", "outdir"],
+            "required": [
+                "input",
+                "outdir"
+            ],
             "properties": {
                 "input": {
                     "type": "string",
@@ -173,7 +176,14 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
+                    "enum": [
+                        "symlink",
+                        "rellink",
+                        "link",
+                        "copy",
+                        "copyNoFollow",
+                        "move"
+                    ],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -278,15 +288,6 @@
         "run_centrifuge": {
             "type": "boolean"
         },
-        "centrifuge_save_unaligned": {
-            "type": "boolean"
-        },
-        "centrifuge_save_aligned": {
-            "type": "boolean"
-        },
-        "centrifuge_sam_format": {
-            "type": "boolean"
-        },
         "run_metaphlan3": {
             "type": "boolean",
             "description": "Enable MetaPhlAn for taxonomic profiling"
@@ -294,7 +295,10 @@
         "shortread_clipmerge_tool": {
             "type": "string",
             "default": "fastp",
-            "enum": ["fastp", "adapterremoval"]
+            "enum": [
+                "fastp",
+                "adapterremoval"
+            ]
         },
         "shortread_clipmerge_skipadaptertrim": {
             "type": "boolean"
@@ -335,7 +339,10 @@
         "shortread_complexityfilter_prinseqplusplus_mode": {
             "type": "string",
             "default": "entropy",
-            "enum": ["entropy", "dust"]
+            "enum": [
+                "entropy",
+                "dust"
+            ]
         },
         "shortread_complexityfilter_prinseqplusplus_dustscore": {
             "type": "number",
@@ -385,13 +392,20 @@
         "run_kaiju": {
             "type": "boolean"
         },
-        "malt_generatemegansummary": {
+        "malt_generate_megansummary": {
             "type": "boolean"
         },
         "kaiju_taxon_name": {
             "type": "string",
             "default": "species",
-            "enum": ["phylum", "class", "order", "family", "genus", "species"]
+            "enum": [
+                "phylum",
+                "class",
+                "order",
+                "family",
+                "genus",
+                "species"
+            ]
         },
         "run_diamond": {
             "type": "boolean"
@@ -399,11 +413,34 @@
         "diamond_output_format": {
             "type": "string",
             "default": "tsv",
-            "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"]
+            "enum": [
+                "blast",
+                "xml",
+                "txt",
+                "daa",
+                "sam",
+                "tsv",
+                "paf"
+            ]
         },
         "longread_hostremoval_index": {
             "type": "string",
             "default": "None"
+        },
+        "malt_save_reads": {
+            "type": "boolean"
+        },
+        "kraken2_save_reads": {
+            "type": "boolean"
+        },
+        "kraken2_save_readclassification": {
+            "type": "boolean"
+        },
+        "centrifuge_save_reads": {
+            "type": "boolean"
+        },
+        "diamond_save_reads": {
+            "type": "boolean"
         }
     }
-}
+}
\ No newline at end of file
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 7fb3ce9..18ea7fa 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -65,10 +65,18 @@ workflow PROFILING {
         ch_input_for_malt =  ch_input_for_profiling.malt
                                 .filter { it[0]['instrument_platform'] == 'ILLUMINA' }
                                 .map {
-                                    it ->
-                                        def temp_meta =  [ id: it[2]['db_name']]  + it[2]
-                                        def db = it[3]
-                                        [ temp_meta, it[1], db ]
+                                    meta, reads, db_meta, db ->
+                                        def sam_format = params.malt_save_reads ? ' --alignments' : ""
+                                        // TODO No MALT SAM?
+                                        // TODO check all aligned reads published
+                                        // TODO try turning on/off aligned reads
+                                        // TODO wut? [9a/a441d6] Submitted process > NFCORE_TAXPROFILER:TAXPROFILER:PROFILING:MALT_RUN (null)
+                                        def temp_meta = [ id: meta['db_name'] ]
+                                        def new_db_meta = db_meta.clone()
+                                        new_db_meta['db_params'] = db_meta['db_params'] + sam_format
+                                        def new_meta = temp_meta + new_db_meta
+
+                                        [ new_meta, reads, db ]
                                 }
                                 .groupTuple(by: [0,2])
                                 .multiMap {
@@ -92,7 +100,7 @@ workflow PROFILING {
                                         [ meta_new, rma ]
                                 }
 
-        MEGAN_RMA2INFO (ch_maltrun_for_megan, params.malt_generatemegansummary )
+        MEGAN_RMA2INFO (ch_maltrun_for_megan, params.malt_generate_megansummary )
         ch_multiqc_files   = ch_multiqc_files.mix( MALT_RUN.out.log.collect{it[1]}.ifEmpty([])  )
         ch_versions        = ch_versions.mix( MALT_RUN.out.versions.first(), MEGAN_RMA2INFO.out.versions.first() )
         ch_raw_profiles    = ch_raw_profiles.mix( MEGAN_RMA2INFO.out.txt )
@@ -108,10 +116,10 @@ workflow PROFILING {
                                         db: it[3]
                                 }
 
-        KRAKEN2_KRAKEN2 ( ch_input_for_kraken2.reads, ch_input_for_kraken2.db  )
-        ch_multiqc_files   = ch_multiqc_files.mix( KRAKEN2_KRAKEN2.out.txt.collect{it[1]}.ifEmpty([])  )
+        KRAKEN2_KRAKEN2 ( ch_input_for_kraken2.reads, ch_input_for_kraken2.db, params.kraken2_save_reads, params.kraken2_save_readclassification )
+        ch_multiqc_files   = ch_multiqc_files.mix( KRAKEN2_KRAKEN2.out.report.collect{it[1]}.ifEmpty([])  )
         ch_versions        = ch_versions.mix( KRAKEN2_KRAKEN2.out.versions.first() )
-        ch_raw_profiles    = ch_raw_profiles.mix( KRAKEN2_KRAKEN2.out.txt )
+        ch_raw_profiles    = ch_raw_profiles.mix( KRAKEN2_KRAKEN2.out.report )
 
     }
 
@@ -128,7 +136,7 @@ workflow PROFILING {
                                         db: it[3]
                                 }
 
-        CENTRIFUGE_CENTRIFUGE ( ch_input_for_centrifuge.reads, ch_input_for_centrifuge.db, params.centrifuge_save_unaligned, params.centrifuge_save_aligned, params.centrifuge_sam_format  )
+        CENTRIFUGE_CENTRIFUGE ( ch_input_for_centrifuge.reads, ch_input_for_centrifuge.db, params.centrifuge_save_reads, params.centrifuge_save_reads, params.centrifuge_save_reads  )
         CENTRIFUGE_KREPORT (CENTRIFUGE_CENTRIFUGE.out.results, ch_input_for_centrifuge.db)
         ch_versions        = ch_versions.mix( CENTRIFUGE_CENTRIFUGE.out.versions.first() )
         ch_raw_profiles    = ch_raw_profiles.mix( CENTRIFUGE_KREPORT.out.kreport )
@@ -180,9 +188,13 @@ workflow PROFILING {
                                         db: it[3]
                                 }
 
-        DIAMOND_BLASTX ( ch_input_for_diamond.reads, ch_input_for_diamond.db, params.diamond_output_format )
+        // diamond only accepts single output file specification, therefore
+        // this will replace output file!
+        ch_diamond_reads_format = params.diamond_save_reads ? 'sam' : params.diamond_output_format
+
+        DIAMOND_BLASTX ( ch_input_for_diamond.reads, ch_input_for_diamond.db, params.diamond_output_format, [] )
         ch_versions        = ch_versions.mix( DIAMOND_BLASTX.out.versions.first() )
-        ch_raw_profiles    = ch_raw_profiles.mix( DIAMOND_BLASTX.out.output )
+        ch_raw_profiles    = ch_raw_profiles.mix( DIAMOND_BLASTX.out.tsv )
 
     }
 
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 7a6cd09..c319296 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -29,6 +29,8 @@ if (params.hostremoval_reference           ) { ch_reference = file(params.hostre
 if (params.shortread_hostremoval_index     ) { ch_shortread_reference_index = file(params.shortread_hostremoval_index    ) } else { ch_shortread_reference_index = [] }
 if (params.longread_hostremoval_index      ) { ch_longread_reference_index  = file(params.longread_hostremoval_index     ) } else { ch_longread_reference_index  = [] }
 
+if (params.diamond_save_reads              ) log.warn "[nf-core/taxprofiler] DIAMOND only allows output of a single format. Only aligned reads in SAM format will be produced, no taxonomic profiles will be available."
+
 /*
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
     CONFIG FILES

From 47a5ae0cff4060c12451beba47502dae5dbb9d17 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sat, 7 May 2022 06:09:05 +0200
Subject: [PATCH 212/789] Add FASTP complexity option

---
 conf/modules.config                           |  6 ++-
 conf/test.config                              |  1 +
 conf/test_nopreprocessing.config              | 46 ++++++++++++++++
 conf/test_noprofiling.config                  | 46 ++++++++++++++++
 docs/usage.md                                 |  4 +-
 nextflow.config                               |  3 ++
 nextflow_schema.json                          | 52 ++++++++++++++++---
 .../local/shortread_complexityfiltering.nf    |  1 +
 workflows/taxprofiler.nf                      |  8 ++-
 9 files changed, 153 insertions(+), 14 deletions(-)
 create mode 100644 conf/test_nopreprocessing.config
 create mode 100644 conf/test_noprofiling.config

diff --git a/conf/modules.config b/conf/modules.config
index cd0fb04..c834f4e 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -54,7 +54,8 @@ process {
             params.shortread_clipmerge_skipadaptertrim ? "--disable_adapter_trimming" : "",
             params.shortread_clipmerge_adapter1 ? "--adapter_sequence ${params.shortread_clipmerge_adapter1}" : "",
             // filtering options
-            "--length_required ${params.shortread_clipmerge_minlength}"
+            "--length_required ${params.shortread_clipmerge_minlength}",
+           params.perform_shortread_complexityfilter && params.shortread_complexityfilter_tool == 'fastp' ? "--low_complexity_filter --complexity_threshold ${params.shortread_complexityfilter_fastp_threshold}" : ''
         ].join(' ').trim()
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [
@@ -74,7 +75,8 @@ process {
             params.shortread_clipmerge_adapter1 ? "--adapter_sequence ${params.shortread_clipmerge_adapter1}" : "",
             params.shortread_clipmerge_adapter2 ? "--adapter_sequence_r2 ${params.shortread_clipmerge_adapter2}" : "--detect_adapter_for_pe",
             // filtering options
-            "--length_required ${params.shortread_clipmerge_minlength}"
+            "--length_required ${params.shortread_clipmerge_minlength}",
+           params.perform_shortread_complexityfilter && params.shortread_complexityfilter_tool == 'fastp' ? "--low_complexity_filter --complexity_threshold ${params.shortread_complexityfilter_fastp_threshold}" : ''
         ].join(' ').trim()
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [
diff --git a/conf/test.config b/conf/test.config
index a5244f9..c687a86 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -29,6 +29,7 @@ params {
     perform_shortread_complexityfilter    = true
     perform_shortread_hostremoval         = true
     perform_longread_hostremoval          = true
+    perform_runmerging                    = true
     hostremoval_reference                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/homo_sapiens/genome/genome.fasta'
     run_kaiju                             = true
     run_kraken2                           = true
diff --git a/conf/test_nopreprocessing.config b/conf/test_nopreprocessing.config
new file mode 100644
index 0000000..e8d4ed9
--- /dev/null
+++ b/conf/test_nopreprocessing.config
@@ -0,0 +1,46 @@
+/*
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+    Nextflow config file for running minimal tests
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+    Defines input files and everything required to run a fast and simple pipeline test.
+
+    Use as follows:
+        nextflow run nf-core/taxprofiler -profile test,<docker/singularity> --outdir <OUTDIR>
+
+----------------------------------------------------------------------------------------
+*/
+
+params {
+    config_profile_name        = 'Test profile'
+    config_profile_description = 'Minimal test dataset skipping all preprocessing to check pipeline function'
+
+    // Limit resources so that this can run on GitHub Actions
+    max_cpus   = 2
+    max_memory = '6.GB'
+    max_time   = '6.h'
+
+    // Input data
+    // TODO nf-core: Specify the paths to your test data on nf-core/test-datasets
+    // TODO nf-core: Give any required params for the test so that command line flags are not needed
+    input                                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
+    databases                             = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
+    perform_shortread_clipmerge           = false
+    perform_longread_clip                 = false
+    perform_shortread_complexityfilter    = false
+    perform_shortread_hostremoval         = false
+    perform_longread_hostremoval          = false
+    perform_runmerging                    = false
+    hostremoval_reference                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/homo_sapiens/genome/genome.fasta'
+    run_kaiju                             = true
+    run_kraken2                           = true
+    run_malt                              = true
+    run_metaphlan3                        = true
+    run_centrifuge                        = true
+    run_diamond                           = true
+}
+
+process {
+    withName: MALT_RUN {
+        maxForks = 1
+    }
+}
diff --git a/conf/test_noprofiling.config b/conf/test_noprofiling.config
new file mode 100644
index 0000000..f908651
--- /dev/null
+++ b/conf/test_noprofiling.config
@@ -0,0 +1,46 @@
+/*
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+    Nextflow config file for running minimal tests
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+    Defines input files and everything required to run a fast and simple pipeline test.
+
+    Use as follows:
+        nextflow run nf-core/taxprofiler -profile test,<docker/singularity> --outdir <OUTDIR>
+
+----------------------------------------------------------------------------------------
+*/
+
+params {
+    config_profile_name        = 'Test profile'
+    config_profile_description = 'Minimal test dataset without performing any profiling to check pipeline function'
+
+    // Limit resources so that this can run on GitHub Actions
+    max_cpus   = 2
+    max_memory = '6.GB'
+    max_time   = '6.h'
+
+    // Input data
+    // TODO nf-core: Specify the paths to your test data on nf-core/test-datasets
+    // TODO nf-core: Give any required params for the test so that command line flags are not needed
+    input                                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
+    databases                             = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
+    perform_shortread_clipmerge           = true
+    perform_longread_clip                 = true
+    perform_shortread_complexityfilter    = true
+    perform_shortread_hostremoval         = true
+    perform_longread_hostremoval          = true
+    perform_runmerging                    = true
+    hostremoval_reference                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/homo_sapiens/genome/genome.fasta'
+    run_kaiju                             = false
+    run_kraken2                           = false
+    run_malt                              = false
+    run_metaphlan3                        = false
+    run_centrifuge                        = false
+    run_diamond                           = false
+}
+
+process {
+    withName: MALT_RUN {
+        maxForks = 1
+    }
+}
diff --git a/docs/usage.md b/docs/usage.md
index 4aa1d09..47ac952 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -183,11 +183,11 @@ Complexity filtering can be activated via the `--perform_shortread_complexityfil
 
 Complexity filtering is primarily a run-time optimisation step. It is not necessary for accurate taxonomic profiling, however it can speed up run-time of each tool by removing reads with low-diversity of nucleotides (e.g. with mono-nucleotide - `AAAAAAAA`, or di-nucleotide repeats `GAGAGAGAGAGAGAG`) that have a low-chance of giving an informative taxonomic ID as they can be associated with many different taxa. Removing these reads therefore saves computational time and resources.
 
-There are currently two options for short-read complexity filtering: [`bbduk`](https://jgi.doe.gov/data-and-tools/software-tools/bbtools/bb-tools-user-guide/bbduk-guide/) and [`prinseq++`](https://jgi.doe.gov/data-and-tools/software-tools/bbtools/bb-tools-user-guide/bbduk-guide/).
+There are currently three options for short-read complexity filtering: [`bbduk`](https://jgi.doe.gov/data-and-tools/software-tools/bbtools/bb-tools-user-guide/bbduk-guide/), [`prinseq++`](https://github.com/Adrian-Cantu/PRINSEQ-plus-plus), and [`fastp`](https://github.com/OpenGene/fastp#low-complexity-filter).
 
 The tools offer different algorithms and parameters for removing low complexity reads. We therefore recommend reviewing the pipeline's [parameter documentation](https://nf-co.re/taxprofiler/parameters) and the documentation of both tools (see links above) to decide on optimal methods and parameters for your dataset.
 
-You can optionally save the FASTQ output of the run merging with the `--save_complexityfiltered_reads`.
+You can optionally save the FASTQ output of the run merging with the `--save_complexityfiltered_reads`. If running with `fastp`, complexity filtering happens inclusively within the earlier shortread preprocessing step. Therefore there will not be an independent pipeline step for complexity filtering, and no independent FASTQ file (i.e. `--save_complexityfiltered_reads` will be ignored) - your complexity filtered reads will also be in the `fastp/` folder in the same file(s) as the preprocessed read.
 
 #### Host Removal
 
diff --git a/nextflow.config b/nextflow.config
index ca9e280..411e7a6 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -74,6 +74,7 @@ params {
     shortread_complexityfilter_bbduk_mask                = false
     shortread_complexityfilter_prinseqplusplus_mode      = 'entropy'
     shortread_complexityfilter_prinseqplusplus_dustscore = 0.5
+    shortread_complexityfilter_fastp_threshold           = 30
     save_complexityfiltered_reads                        = false
 
     // run merging
@@ -185,6 +186,8 @@ profiles {
     }
     test      { includeConfig 'conf/test.config'      }
     test_full { includeConfig 'conf/test_full.config' }
+    test_noprofiling { includeConfig 'conf/test_noprofiling.config' }
+    test_nopreprocessing { includeConfig 'conf/test_preprocessing.config' }
 }
 
 // Load igenomes.config if required
diff --git a/nextflow_schema.json b/nextflow_schema.json
index ab2108e..a0a830c 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,7 +10,10 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["input", "outdir"],
+            "required": [
+                "input",
+                "outdir"
+            ],
             "properties": {
                 "input": {
                     "type": "string",
@@ -173,7 +176,14 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
+                    "enum": [
+                        "symlink",
+                        "rellink",
+                        "link",
+                        "copy",
+                        "copyNoFollow",
+                        "move"
+                    ],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -294,7 +304,10 @@
         "shortread_clipmerge_tool": {
             "type": "string",
             "default": "fastp",
-            "enum": ["fastp", "adapterremoval"]
+            "enum": [
+                "fastp",
+                "adapterremoval"
+            ]
         },
         "shortread_clipmerge_skipadaptertrim": {
             "type": "boolean"
@@ -319,7 +332,12 @@
         },
         "shortread_complexityfilter_tool": {
             "type": "string",
-            "default": "bbduk"
+            "default": "bbduk",
+            "enum": [
+                "bbduk",
+                "prinseqplusplus",
+                "fastp"
+            ]
         },
         "shortread_complexityfilter_bbduk_windowsize": {
             "type": "integer",
@@ -335,7 +353,10 @@
         "shortread_complexityfilter_prinseqplusplus_mode": {
             "type": "string",
             "default": "entropy",
-            "enum": ["entropy", "dust"]
+            "enum": [
+                "entropy",
+                "dust"
+            ]
         },
         "shortread_complexityfilter_prinseqplusplus_dustscore": {
             "type": "number",
@@ -391,7 +412,14 @@
         "kaiju_taxon_name": {
             "type": "string",
             "default": "species",
-            "enum": ["phylum", "class", "order", "family", "genus", "species"]
+            "enum": [
+                "phylum",
+                "class",
+                "order",
+                "family",
+                "genus",
+                "species"
+            ]
         },
         "run_diamond": {
             "type": "boolean"
@@ -399,11 +427,19 @@
         "diamond_output_format": {
             "type": "string",
             "default": "tsv",
-            "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"]
+            "enum": [
+                "blast",
+                "xml",
+                "txt",
+                "daa",
+                "sam",
+                "tsv",
+                "paf"
+            ]
         },
         "longread_hostremoval_index": {
             "type": "string",
             "default": "None"
         }
     }
-}
+}
\ No newline at end of file
diff --git a/subworkflows/local/shortread_complexityfiltering.nf b/subworkflows/local/shortread_complexityfiltering.nf
index 12686d7..a34440d 100644
--- a/subworkflows/local/shortread_complexityfiltering.nf
+++ b/subworkflows/local/shortread_complexityfiltering.nf
@@ -13,6 +13,7 @@ workflow SHORTREAD_COMPLEXITYFILTERING {
     ch_versions       = Channel.empty()
     ch_multiqc_files  = Channel.empty()
 
+    // fastp complexity filtering is activated via modules.conf in shortread_preprocessing
     if ( params.shortread_complexityfilter_tool == 'bbduk' ) {
         ch_filtered_reads = BBMAP_BBDUK ( reads, [] ).reads
         ch_versions        =  ch_versions.mix( BBMAP_BBDUK.out.versions.first() )
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 7a6cd09..b8b953b 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -19,9 +19,12 @@ for (param in checkPathParamList) { if (param) { file(param, checkIfExists: true
 // Check mandatory parameters
 if (params.input    ) { ch_input     = file(params.input)     } else { exit 1, 'Input samplesheet not specified!' }
 if (params.databases) { ch_databases = file(params.databases) } else { exit 1, 'Input database sheet not specified!' }
+
 if (params.shortread_clipmerge_mergepairs && params.run_malt ) log.warn "[nf-core/taxprofiler] MALT does not accept uncollapsed paired-reads. Pairs will be profiled as separate files."
 if (params.shortread_clipmerge_excludeunmerged && !params.shortread_clipmerge_mergepairs) exit 1, "ERROR: [nf-core/taxprofiler] cannot include unmerged reads when merging not turned on. Please specify --shortread_clipmerge_mergepairs"
 
+if (params.shortread_complexityfilter_tool == 'fastp' && ( params.perform_shortread_clipmerge == false || params.shortread_clipmerge_tool != 'fastp' ))  exit 1, "ERROR: [nf-core/taxprofiler] cannot use fastp complexity filtering if preprocessing not turned on and/or tool is not fastp. Please specify --perform_shortread_clipmerge and/or --shortread_clipmerge_tool 'fastp'"
+
 if (params.perform_shortread_hostremoval && !params.hostremoval_reference) { exit 1, "ERROR: [nf-core/taxprofiler] --shortread_hostremoval requested but no --hostremoval_reference FASTA supplied. Check input." }
 if (!params.hostremoval_reference && params.hostremoval_reference_index) { exit 1, "ERROR: [nf-core/taxprofiler] --shortread_hostremoval_index provided but no --hostremoval_reference FASTA supplied. Check input." }
 
@@ -131,7 +134,8 @@ workflow TAXPROFILER {
         SUBWORKFLOW: COMPLEXITY FILTERING
     */
 
-    if ( params.perform_shortread_complexityfilter ) {
+    // fastp complexity filtering is activated via modules.conf in shortread_preprocessing
+    if ( params.perform_shortread_complexityfilter && params.shortread_complexityfilter_tool != 'fastp' ) {
         ch_shortreads_filtered = SHORTREAD_COMPLEXITYFILTERING ( ch_shortreads_preprocessed ).reads
         ch_versions = ch_versions.mix( SHORTREAD_COMPLEXITYFILTERING.out.versions )
     } else {
@@ -228,7 +232,7 @@ workflow TAXPROFILER {
         ch_multiqc_files = ch_multiqc_files.mix( LONGREAD_PREPROCESSING.out.mqc.collect{it[1]}.ifEmpty([]) )
     }
 
-    if (params.perform_shortread_complexityfilter){
+    if (params.perform_shortread_complexityfilter && params.shortread_complexityfilter_tool != 'fastp'){
         ch_multiqc_files = ch_multiqc_files.mix( SHORTREAD_COMPLEXITYFILTERING.out.mqc.collect{it[1]}.ifEmpty([]) )
     }
 

From 0f651873dd711c2223a8f844a091deb1316f6979 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sat, 7 May 2022 06:12:24 +0200
Subject: [PATCH 213/789] Linting

---
 conf/modules.config  |  4 ++--
 nextflow_schema.json | 55 ++++++++++----------------------------------
 2 files changed, 14 insertions(+), 45 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index c834f4e..0abff92 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -55,7 +55,7 @@ process {
             params.shortread_clipmerge_adapter1 ? "--adapter_sequence ${params.shortread_clipmerge_adapter1}" : "",
             // filtering options
             "--length_required ${params.shortread_clipmerge_minlength}",
-           params.perform_shortread_complexityfilter && params.shortread_complexityfilter_tool == 'fastp' ? "--low_complexity_filter --complexity_threshold ${params.shortread_complexityfilter_fastp_threshold}" : ''
+            params.perform_shortread_complexityfilter && params.shortread_complexityfilter_tool == 'fastp' ? "--low_complexity_filter --complexity_threshold ${params.shortread_complexityfilter_fastp_threshold}" : ''
         ].join(' ').trim()
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [
@@ -76,7 +76,7 @@ process {
             params.shortread_clipmerge_adapter2 ? "--adapter_sequence_r2 ${params.shortread_clipmerge_adapter2}" : "--detect_adapter_for_pe",
             // filtering options
             "--length_required ${params.shortread_clipmerge_minlength}",
-           params.perform_shortread_complexityfilter && params.shortread_complexityfilter_tool == 'fastp' ? "--low_complexity_filter --complexity_threshold ${params.shortread_complexityfilter_fastp_threshold}" : ''
+            params.perform_shortread_complexityfilter && params.shortread_complexityfilter_tool == 'fastp' ? "--low_complexity_filter --complexity_threshold ${params.shortread_complexityfilter_fastp_threshold}" : ''
         ].join(' ').trim()
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [
diff --git a/nextflow_schema.json b/nextflow_schema.json
index a0a830c..74fab27 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,10 +10,7 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": [
-                "input",
-                "outdir"
-            ],
+            "required": ["input", "outdir"],
             "properties": {
                 "input": {
                     "type": "string",
@@ -176,14 +173,7 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": [
-                        "symlink",
-                        "rellink",
-                        "link",
-                        "copy",
-                        "copyNoFollow",
-                        "move"
-                    ],
+                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -304,10 +294,7 @@
         "shortread_clipmerge_tool": {
             "type": "string",
             "default": "fastp",
-            "enum": [
-                "fastp",
-                "adapterremoval"
-            ]
+            "enum": ["fastp", "adapterremoval"]
         },
         "shortread_clipmerge_skipadaptertrim": {
             "type": "boolean"
@@ -333,11 +320,7 @@
         "shortread_complexityfilter_tool": {
             "type": "string",
             "default": "bbduk",
-            "enum": [
-                "bbduk",
-                "prinseqplusplus",
-                "fastp"
-            ]
+            "enum": ["bbduk", "prinseqplusplus", "fastp"]
         },
         "shortread_complexityfilter_bbduk_windowsize": {
             "type": "integer",
@@ -353,10 +336,7 @@
         "shortread_complexityfilter_prinseqplusplus_mode": {
             "type": "string",
             "default": "entropy",
-            "enum": [
-                "entropy",
-                "dust"
-            ]
+            "enum": ["entropy", "dust"]
         },
         "shortread_complexityfilter_prinseqplusplus_dustscore": {
             "type": "number",
@@ -412,14 +392,7 @@
         "kaiju_taxon_name": {
             "type": "string",
             "default": "species",
-            "enum": [
-                "phylum",
-                "class",
-                "order",
-                "family",
-                "genus",
-                "species"
-            ]
+            "enum": ["phylum", "class", "order", "family", "genus", "species"]
         },
         "run_diamond": {
             "type": "boolean"
@@ -427,19 +400,15 @@
         "diamond_output_format": {
             "type": "string",
             "default": "tsv",
-            "enum": [
-                "blast",
-                "xml",
-                "txt",
-                "daa",
-                "sam",
-                "tsv",
-                "paf"
-            ]
+            "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"]
         },
         "longread_hostremoval_index": {
             "type": "string",
             "default": "None"
+        },
+        "shortread_complexityfilter_fastp_threshold": {
+            "type": "integer",
+            "default": 30
         }
     }
-}
\ No newline at end of file
+}

From 3fa2181f498f5e1c994efb06be3a63f459dcf9cc Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sat, 7 May 2022 06:15:15 +0200
Subject: [PATCH 214/789] Fix prinseq tool selection

---
 .github/workflows/ci.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index a1ece72..7bb2076 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -38,7 +38,7 @@ jobs:
           - "--shortread_clipmerge_tool adapterremoval --shortread_clipmerge_mergepairs --shortread_clipmerge_excludeunmerged"
           - "--shortread_clipmerge_tool adapterremoval --shortread_clipmerge_mergepairs"
           - "--shortread_complexityfilter_tool bbduk"
-          - "--shortread_complexityfilter_tool prinseq"
+          - "--shortread_complexityfilter_tool prinseqplusplus"
           - "--perform_runmerging"
           - "--perform_runmerging --shortread_clipmerge_mergepairs"
           - "--shortread_complexityfilter false --perform_shortread_hostremoval"

From d67543503b927f6af5bce9574ad8b428c53c0c46 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Sat, 7 May 2022 13:15:21 +0200
Subject: [PATCH 215/789] Apply suggestions from code review

Co-authored-by: Moritz E. Beber <midnighter@posteo.net>
---
 conf/modules.config | 2 +-
 docs/usage.md       | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 0abff92..5d8398e 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -55,7 +55,7 @@ process {
             params.shortread_clipmerge_adapter1 ? "--adapter_sequence ${params.shortread_clipmerge_adapter1}" : "",
             // filtering options
             "--length_required ${params.shortread_clipmerge_minlength}",
-            params.perform_shortread_complexityfilter && params.shortread_complexityfilter_tool == 'fastp' ? "--low_complexity_filter --complexity_threshold ${params.shortread_complexityfilter_fastp_threshold}" : ''
+            (params.perform_shortread_complexityfilter && params.shortread_complexityfilter_tool == 'fastp') ? "--low_complexity_filter --complexity_threshold ${params.shortread_complexityfilter_fastp_threshold}" : ''
         ].join(' ').trim()
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [
diff --git a/docs/usage.md b/docs/usage.md
index 47ac952..54ffce0 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -185,7 +185,7 @@ Complexity filtering is primarily a run-time optimisation step. It is not necess
 
 There are currently three options for short-read complexity filtering: [`bbduk`](https://jgi.doe.gov/data-and-tools/software-tools/bbtools/bb-tools-user-guide/bbduk-guide/), [`prinseq++`](https://github.com/Adrian-Cantu/PRINSEQ-plus-plus), and [`fastp`](https://github.com/OpenGene/fastp#low-complexity-filter).
 
-The tools offer different algorithms and parameters for removing low complexity reads. We therefore recommend reviewing the pipeline's [parameter documentation](https://nf-co.re/taxprofiler/parameters) and the documentation of both tools (see links above) to decide on optimal methods and parameters for your dataset.
+The tools offer different algorithms and parameters for removing low complexity reads. We therefore recommend reviewing the pipeline's [parameter documentation](https://nf-co.re/taxprofiler/parameters) and the documentation of the tools (see links above) to decide on optimal methods and parameters for your dataset.
 
 You can optionally save the FASTQ output of the run merging with the `--save_complexityfiltered_reads`. If running with `fastp`, complexity filtering happens inclusively within the earlier shortread preprocessing step. Therefore there will not be an independent pipeline step for complexity filtering, and no independent FASTQ file (i.e. `--save_complexityfiltered_reads` will be ignored) - your complexity filtered reads will also be in the `fastp/` folder in the same file(s) as the preprocessed read.
 

From aca7bc439dac189b8f4b33e7014859f7528d80bf Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Thu, 12 May 2022 08:08:14 +0100
Subject: [PATCH 216/789] Update nextflow.config

---
 nextflow.config | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/nextflow.config b/nextflow.config
index 411e7a6..4bcb1b1 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -130,11 +130,11 @@ try {
 
 // Load nf-core/taxprofiler custom profiles from different institutions.
 // Warning: Uncomment only if a pipeline-specific instititutional config already exists on nf-core/configs!
-// try {
-//   includeConfig "${params.custom_config_base}/pipeline/taxprofiler.config"
-// } catch (Exception e) {
-//   System.err.println("WARNING: Could not load nf-core/config/taxprofiler profiles: ${params.custom_config_base}/pipeline/taxprofiler.config")
-// }
+try {
+    includeConfig "${params.custom_config_base}/pipeline/taxprofiler.config"
+} catch (Exception e) {
+    System.err.println("WARNING: Could not load nf-core/config/taxprofiler profiles: ${params.custom_config_base}/pipeline/taxprofiler.config")
+}
 
 
 profiles {

From 68d0cc00faaa50c45ec77a25158f3749d22d4f95 Mon Sep 17 00:00:00 2001
From: JIANHONG OU <jianhong@users.noreply.github.com>
Date: Mon, 23 May 2022 08:05:06 -0400
Subject: [PATCH 217/789] add motus profile.

---
 conf/test.config                              |  1 +
 conf/test_nopreprocessing.config              |  1 +
 conf/test_noprofiling.config                  |  1 +
 modules.json                                  |  8 ++-
 .../nf-core/modules/motus/downloaddb/main.nf  | 39 ++++++++++++
 .../nf-core/modules/motus/downloaddb/meta.yml | 39 ++++++++++++
 modules/nf-core/modules/motus/profile/main.nf | 54 ++++++++++++++++
 .../nf-core/modules/motus/profile/meta.yml    | 61 +++++++++++++++++++
 nextflow.config                               |  5 ++
 nextflow_schema.json                          | 11 ++++
 .../execution_trace_2022-05-21_11-05-12.txt   |  1 +
 subworkflows/local/db_check.nf                | 21 ++++++-
 subworkflows/local/profiling.nf               | 19 +++++-
 13 files changed, 256 insertions(+), 5 deletions(-)
 create mode 100644 modules/nf-core/modules/motus/downloaddb/main.nf
 create mode 100644 modules/nf-core/modules/motus/downloaddb/meta.yml
 create mode 100644 modules/nf-core/modules/motus/profile/main.nf
 create mode 100644 modules/nf-core/modules/motus/profile/meta.yml
 create mode 100644 null/pipeline_info/execution_trace_2022-05-21_11-05-12.txt

diff --git a/conf/test.config b/conf/test.config
index c687a86..cf983ab 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -37,6 +37,7 @@ params {
     run_metaphlan3                        = true
     run_centrifuge                        = true
     run_diamond                           = true
+    run_motus                             = true
 }
 
 process {
diff --git a/conf/test_nopreprocessing.config b/conf/test_nopreprocessing.config
index e8d4ed9..7658a2d 100644
--- a/conf/test_nopreprocessing.config
+++ b/conf/test_nopreprocessing.config
@@ -37,6 +37,7 @@ params {
     run_metaphlan3                        = true
     run_centrifuge                        = true
     run_diamond                           = true
+    run_motus                             = true
 }
 
 process {
diff --git a/conf/test_noprofiling.config b/conf/test_noprofiling.config
index f908651..dffb44e 100644
--- a/conf/test_noprofiling.config
+++ b/conf/test_noprofiling.config
@@ -37,6 +37,7 @@ params {
     run_metaphlan3                        = false
     run_centrifuge                        = false
     run_diamond                           = false
+    run_motus                             = false
 }
 
 process {
diff --git a/modules.json b/modules.json
index a55c88b..2fc7203 100644
--- a/modules.json
+++ b/modules.json
@@ -60,6 +60,12 @@
             "minimap2/index": {
                 "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
             },
+            "motus/downloaddb": {
+                "git_sha": "6393a085c5fcea11963774c041808df169907487"
+            },
+            "motus/profile": {
+                "git_sha": "6b960f0e75bbb4d5bd301cd3875fa078d0eab4d1"
+            },
             "multiqc": {
                 "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
             },
@@ -80,4 +86,4 @@
             }
         }
     }
-}
+}
\ No newline at end of file
diff --git a/modules/nf-core/modules/motus/downloaddb/main.nf b/modules/nf-core/modules/motus/downloaddb/main.nf
new file mode 100644
index 0000000..317624b
--- /dev/null
+++ b/modules/nf-core/modules/motus/downloaddb/main.nf
@@ -0,0 +1,39 @@
+process MOTUS_DOWNLOADDB {
+    label 'process_low'
+
+    conda (params.enable_conda ? "bioconda::motus=3.0.1" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/motus:3.0.1--pyhdfd78af_0':
+        'quay.io/biocontainers/motus:3.0.1--pyhdfd78af_0' }"
+
+    input:
+    path motus_downloaddb_script
+
+    output:
+    path "db_mOTU/"                , emit: db
+    path "versions.yml"            , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args     = task.ext.args ?: ''
+    def software = "${motus_downloaddb_script.simpleName}_copy.py"
+    """
+    ## must copy script file to working directory,
+    ## otherwise the reference_db will be download to bin folder
+    ## other than current directory
+    cp $motus_downloaddb_script ${software}
+    python ${software} \\
+        $args \\
+        -t $task.cpus
+
+    ## mOTUs version number is not available from command line.
+    ## mOTUs save the version number in index database folder.
+    ## mOTUs will check the database version is same version as exec version.
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        mOTUs: \$(grep motus db_mOTU/db_mOTU_versions | sed 's/motus\\t//g')
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/modules/motus/downloaddb/meta.yml b/modules/nf-core/modules/motus/downloaddb/meta.yml
new file mode 100644
index 0000000..64df5ee
--- /dev/null
+++ b/modules/nf-core/modules/motus/downloaddb/meta.yml
@@ -0,0 +1,39 @@
+name: "motus_downloaddb"
+description: Download the mOTUs database
+keywords:
+  - classify
+  - metagenomics
+  - fastq
+  - taxonomic profiling
+  - database
+  - download
+tools:
+  - "motus":
+      description: "The mOTU profiler is a computational tool that estimates relative taxonomic abundance of known and currently unknown microbial community members using metagenomic shotgun sequencing data."
+      homepage: "None"
+      documentation: "https://github.com/motu-tool/mOTUs/wiki"
+      tool_dev_url: "https://github.com/motu-tool/mOTUs"
+      doi: "10.1038/s41467-019-08844-4"
+      licence: "['GPL v3']"
+
+input:
+  - motus_downloaddb:
+      type: directory
+      description: |
+        The mOTUs downloadDB script source file.
+        It is the source file installed or
+        remote source in github such as https://raw.githubusercontent.com/motu-tool/mOTUs/master/motus/downloadDB.py
+      pattern: "downloadDB.py"
+
+output:
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+  - db:
+      type: directory
+      description: The mOTUs database directory
+      pattern: "db_mOTU"
+
+authors:
+  - "@jianhong"
diff --git a/modules/nf-core/modules/motus/profile/main.nf b/modules/nf-core/modules/motus/profile/main.nf
new file mode 100644
index 0000000..6a1acd3
--- /dev/null
+++ b/modules/nf-core/modules/motus/profile/main.nf
@@ -0,0 +1,54 @@
+process MOTUS_PROFILE {
+    tag "$meta.id"
+    label 'process_medium'
+
+    conda (params.enable_conda ? "bioconda::motus=3.0.1" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/motus:3.0.1--pyhdfd78af_0':
+        'quay.io/biocontainers/motus:3.0.1--pyhdfd78af_0' }"
+
+    input:
+    tuple val(meta), path(reads)
+    path db
+
+    output:
+    tuple val(meta), path("*.out"), emit: out
+    tuple val(meta), path("*.bam"), optional: true, emit: bam
+    tuple val(meta), path("*.mgc"), optional: true, emit: mgc
+    path "versions.yml"           , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    def inputs = reads[0].getExtension() == 'bam' ?
+                    "-i ${reads}" :
+                    reads[0].getExtension() == 'mgc' ? "-m $reads" :
+                        meta.single_end ?
+                            "-s $reads" : "-f ${reads[0]} -r ${reads[1]}"
+    def refdb = db ? "-db ${db}" : ""
+    """
+    motus profile \\
+        $args \\
+        $inputs \\
+        $refdb \\
+        -t $task.cpus \\
+        -n $prefix \\
+        -o ${prefix}.out
+
+    ## mOTUs version number is not available from command line.
+    ## mOTUs save the version number in index database folder.
+    ## mOTUs will check the database version is same version as exec version.
+    if [ "$db" == "" ]; then
+        VERSION=\$(echo \$(motus -h 2>&1) | sed 's/^.*Version: //; s/References.*\$//')
+    else
+        VERSION=\$(grep motus $db/db_mOTU_versions | sed 's/motus\\t//g')
+    fi
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        mOTUs: \$VERSION
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/modules/motus/profile/meta.yml b/modules/nf-core/modules/motus/profile/meta.yml
new file mode 100644
index 0000000..19803bd
--- /dev/null
+++ b/modules/nf-core/modules/motus/profile/meta.yml
@@ -0,0 +1,61 @@
+name: "motus_profile"
+description: Taxonomic meta-omics profiling using universal marker genes
+keywords:
+  - classify
+  - metagenomics
+  - fastq
+  - taxonomic profiling
+tools:
+  - "motus":
+      description: "Marker gene-based OTU (mOTU) profiling"
+      homepage: "https://motu-tool.org/"
+      documentation: "https://github.com/motu-tool/mOTUs/wiki"
+      tool_dev_url: "https://github.com/motu-tool/mOTUs"
+      doi: "10.1038/s41467-019-08844-4"
+      licence: "['GPL v3']"
+
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - reads:
+      type: file
+      description: |
+        List of input fastq/fasta files of size 1 and 2 for single-end and paired-end data,
+        respectively.
+        Or the intermediate bam file mapped by bwa to the mOTUs database or
+        the output bam file from motus profile.
+        Or the intermediate mgc read counts table.
+      pattern: "*.{fastq,fq,fasta,fa,fastq.gz,fq.gz,fasta.gz,fa.gz,.bam,.mgc}"
+  - db:
+      type: directory
+      description: |
+        mOTUs database downloaded by `motus downloadDB`
+
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+  - out:
+      type: file
+      description: Results with taxonomic classification of each read
+      pattern: "*.out"
+  - bam:
+      type: file
+      description: Optional intermediate sorted BAM file from BWA
+      pattern: "*.{bam}"
+  - mgc:
+      type: file
+      description: Optional intermediate mgc read count table file saved with `-M`.
+      pattern: "*.{mgc}"
+
+authors:
+  - "@jianhong"
diff --git a/nextflow.config b/nextflow.config
index 411e7a6..6c39ccd 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -116,6 +116,11 @@ params {
     // diamond
     run_diamond                = false
     diamond_output_format      = 'txt'
+
+    // mOTUs
+    run_motus                  = false
+    download_motus_db          = true
+    motus_downloaddb_script    = 'https://raw.githubusercontent.com/motu-tool/mOTUs/master/motus/downloadDB.py'
 }
 
 // Load base.config by default for all pipelines
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 74fab27..198a937 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -409,6 +409,17 @@
         "shortread_complexityfilter_fastp_threshold": {
             "type": "integer",
             "default": 30
+        },
+        "run_motus": {
+            "type": "boolean"
+        },
+        "download_motus_db": {
+            "type": "boolean"
+        },
+        "motus_downloaddb_script": {
+            "type": "string",
+            "default": "https://raw.githubusercontent.com/motu-tool/mOTUs/master/motus/downloadDB.py",
+            "description": "mOTUs database download script path."
         }
     }
 }
diff --git a/null/pipeline_info/execution_trace_2022-05-21_11-05-12.txt b/null/pipeline_info/execution_trace_2022-05-21_11-05-12.txt
new file mode 100644
index 0000000..6b739ac
--- /dev/null
+++ b/null/pipeline_info/execution_trace_2022-05-21_11-05-12.txt
@@ -0,0 +1 @@
+task_id	hash	native_id	name	status	exit	submit	duration	realtime	%cpu	peak_rss	peak_vmem	rchar	wchar
diff --git a/subworkflows/local/db_check.nf b/subworkflows/local/db_check.nf
index f3464d5..95eeefc 100644
--- a/subworkflows/local/db_check.nf
+++ b/subworkflows/local/db_check.nf
@@ -2,8 +2,9 @@
 // Check input samplesheet and get read channels
 //
 
-include { DATABASE_CHECK } from '../../modules/local/database_check'
-include { UNTAR          } from '../../modules/nf-core/modules/untar/main'
+include { DATABASE_CHECK   } from '../../modules/local/database_check'
+include { UNTAR            } from '../../modules/nf-core/modules/untar/main'
+include { MOTUS_DOWNLOADDB } from '../../modules/nf-core/modules/motus/downloaddb/main'
 
 workflow DB_CHECK {
     take:
@@ -20,6 +21,22 @@ workflow DB_CHECK {
         .splitCsv ( header:true, sep:',' )
         .map { create_db_channels(it) }
 
+    // Download database for mOTUs
+    if( params.run_motus ){
+        check_motus_db =
+            parsed_samplesheet.filter{ it[0].tool == "motus" }
+                .ifEmpty{[]}
+        if( params.download_motus_db ){
+            MOTUS_DOWNLOADDB( params.motus_downloaddb_script )
+            check_motus_db = MOTUS_DOWNLOADDB.out.db
+                .map{[
+                    [tool: "motus", db_name: "db_mOTU", db_params: ''],
+                    it
+                ]}
+        }
+        parsed_samplesheet = parsed_samplesheet.mix(check_motus_db)
+    }
+
     ch_dbs_for_untar = parsed_samplesheet
         .branch {
             untar: it[1].toString().endsWith(".tar.gz")
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 7fb3ce9..109598d 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -11,7 +11,7 @@ include { METAPHLAN3                  } from '../../modules/nf-core/modules/meta
 include { KAIJU_KAIJU                 } from '../../modules/nf-core/modules/kaiju/kaiju/main'
 include { KAIJU_KAIJU2TABLE           } from '../../modules/nf-core/modules/kaiju/kaiju2table/main'
 include { DIAMOND_BLASTX              } from '../../modules/nf-core/modules/diamond/blastx/main'
-
+include { MOTUS_PROFILE               } from '../../modules/nf-core/modules/motus/profile/main'
 
 workflow PROFILING {
     take:
@@ -44,6 +44,7 @@ workflow PROFILING {
                 centrifuge: it[2]['tool'] == 'centrifuge'
                 kaiju: it[2]['tool'] == 'kaiju'
                 diamond: it[2]['tool'] == 'diamond'
+                motus: it[2]['tool'] == 'motus'
                 unknown: true
             }
 
@@ -186,9 +187,23 @@ workflow PROFILING {
 
     }
 
+    if ( params.run_motus ) {
+
+        ch_input_for_motus = ch_input_for_profiling.motus
+                                .multiMap {
+                                    it ->
+                                        reads: [it[0] + it[2], it[1]]
+                                        db: it[3]
+                                }
+
+        MOTUS_PROFILE ( ch_input_for_motus.reads, ch_input_for_motus.db )
+        ch_versions        = ch_versions.mix( MOTUS_PROFILE.out.versions.first() )
+        ch_raw_profiles    = ch_raw_profiles.mix( MOTUS_PROFILE.out.out )
+
+    }
+
     emit:
     profiles = ch_raw_profiles    // channel: [ val(meta), [ reads ] ] - should be text files or biom
     versions = ch_versions          // channel: [ versions.yml ]
     mqc      = ch_multiqc_files
 }
-

From 4b3216c1cb494c8110c361df25524f7515cc531e Mon Sep 17 00:00:00 2001
From: JIANHONG OU <jianhong@users.noreply.github.com>
Date: Tue, 24 May 2022 08:42:18 -0400
Subject: [PATCH 218/789] filter fasta inputs for mOTUs; fix the typo for
 nopreprocessing in nextflow.config.

---
 nextflow.config                 | 2 +-
 subworkflows/local/profiling.nf | 4 ++++
 2 files changed, 5 insertions(+), 1 deletion(-)

diff --git a/nextflow.config b/nextflow.config
index 6c39ccd..a8240d1 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -192,7 +192,7 @@ profiles {
     test      { includeConfig 'conf/test.config'      }
     test_full { includeConfig 'conf/test_full.config' }
     test_noprofiling { includeConfig 'conf/test_noprofiling.config' }
-    test_nopreprocessing { includeConfig 'conf/test_preprocessing.config' }
+    test_nopreprocessing { includeConfig 'conf/test_nopreprocessing.config' }
 }
 
 // Load igenomes.config if required
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 109598d..2813bc7 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -190,6 +190,10 @@ workflow PROFILING {
     if ( params.run_motus ) {
 
         ch_input_for_motus = ch_input_for_profiling.motus
+                                .filter{
+                                    if (it[0].is_fasta) log.warn "[nf-core/taxprofiler] mOTUs currently does not accept FASTA files as input. Skipping mOTUs for sample ${it[0].id}."
+                                    !it[0].is_fasta
+                                }
                                 .multiMap {
                                     it ->
                                         reads: [it[0] + it[2], it[1]]

From f14141574e15b83165507c2223e17fd927d70018 Mon Sep 17 00:00:00 2001
From: JIANHONG OU <jianhong@users.noreply.github.com>
Date: Wed, 25 May 2022 08:03:23 -0400
Subject: [PATCH 219/789] fix the end line issue for modules.json

---
 modules.json | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules.json b/modules.json
index 2fc7203..d4172ae 100644
--- a/modules.json
+++ b/modules.json
@@ -86,4 +86,4 @@
             }
         }
     }
-}
\ No newline at end of file
+}

From 74b48f091947e10de18d5f2565e9d0ac50be665e Mon Sep 17 00:00:00 2001
From: ZandraFagernas <47026226+ZandraFagernas@users.noreply.github.com>
Date: Sat, 28 May 2022 13:29:24 +0200
Subject: [PATCH 220/789] Add files via upload

---
 docs/images/taxprofiler_logo.svg | 3223 ++++++++++++++++++++++++++++++
 1 file changed, 3223 insertions(+)
 create mode 100644 docs/images/taxprofiler_logo.svg

diff --git a/docs/images/taxprofiler_logo.svg b/docs/images/taxprofiler_logo.svg
new file mode 100644
index 0000000..0cb901d
--- /dev/null
+++ b/docs/images/taxprofiler_logo.svg
@@ -0,0 +1,3223 @@
+<?xml version="1.0" encoding="UTF-8" standalone="no"?>
+<!-- Created with Inkscape (http://www.inkscape.org/) -->
+
+<svg
+   width="210mm"
+   height="297mm"
+   viewBox="0 0 210 297"
+   version="1.1"
+   id="svg5"
+   inkscape:version="1.1.1 (c3084ef, 2021-09-22)"
+   sodipodi:docname="taxprofiler_logo.svg"
+   xmlns:inkscape="http://www.inkscape.org/namespaces/inkscape"
+   xmlns:sodipodi="http://sodipodi.sourceforge.net/DTD/sodipodi-0.dtd"
+   xmlns:xlink="http://www.w3.org/1999/xlink"
+   xmlns="http://www.w3.org/2000/svg"
+   xmlns:svg="http://www.w3.org/2000/svg">
+  <sodipodi:namedview
+     id="namedview7"
+     pagecolor="#ffffff"
+     bordercolor="#666666"
+     borderopacity="1.0"
+     inkscape:pageshadow="2"
+     inkscape:pageopacity="0.0"
+     inkscape:pagecheckerboard="0"
+     inkscape:document-units="mm"
+     showgrid="false"
+     inkscape:zoom="0.74539603"
+     inkscape:cx="254.22727"
+     inkscape:cy="609.0722"
+     inkscape:window-width="1440"
+     inkscape:window-height="734"
+     inkscape:window-x="0"
+     inkscape:window-y="25"
+     inkscape:window-maximized="0"
+     inkscape:current-layer="layer1">
+    <inkscape:grid
+       type="xygrid"
+       id="grid3498" />
+  </sodipodi:namedview>
+  <defs
+     id="defs2">
+    <inkscape:path-effect
+       effect="bspline"
+       id="path-effect22712"
+       is_visible="true"
+       lpeversion="1"
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From 77da358e87818381006f6f009f3a8c9036295f8a Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 31 May 2022 12:45:38 +0200
Subject: [PATCH 221/789] Separate dark and light mode logos, add to README and
 add to MQC report

---
 README.md                                     |    2 +-
 assets/multiqc_config.yml                     |    4 +
 docs/images/nf-core-taxprofiler_icon.png      |  Bin 0 -> 134012 bytes
 docs/images/nf-core-taxprofiler_icon.svg      |  444 ++++
 .../nf-core-taxprofiler_logo_custom_dark.png  |  Bin 0 -> 398775 bytes
 .../nf-core-taxprofiler_logo_custom_dark.svg  | 2302 ++++++++++++++++
 .../nf-core-taxprofiler_logo_custom_light.png |  Bin 0 -> 443259 bytes
 .../nf-core-taxprofiler_logo_custom_light.svg | 2305 +++++++++++++++++
 workflows/taxprofiler.nf                      |    3 +
 9 files changed, 5059 insertions(+), 1 deletion(-)
 create mode 100644 docs/images/nf-core-taxprofiler_icon.png
 create mode 100644 docs/images/nf-core-taxprofiler_icon.svg
 create mode 100644 docs/images/nf-core-taxprofiler_logo_custom_dark.png
 create mode 100644 docs/images/nf-core-taxprofiler_logo_custom_dark.svg
 create mode 100644 docs/images/nf-core-taxprofiler_logo_custom_light.png
 create mode 100644 docs/images/nf-core-taxprofiler_logo_custom_light.svg

diff --git a/README.md b/README.md
index 722cccb..7f3932c 100644
--- a/README.md
+++ b/README.md
@@ -1,4 +1,4 @@
-# ![nf-core/taxprofiler](docs/images/nf-core-taxprofiler_logo_light.png#gh-light-mode-only) ![nf-core/taxprofiler](docs/images/nf-core-taxprofiler_logo_dark.png#gh-dark-mode-only)
+# ![nf-core/taxprofiler](docs/images/nf-core-taxprofiler_logo_custom_light.png#gh-light-mode-only) ![nf-core/taxprofiler](docs/images/nf-core-taxprofiler_logo_custom_dark.png#gh-dark-mode-only)
 
 [![GitHub Actions CI Status](https://github.com/nf-core/taxprofiler/workflows/nf-core%20CI/badge.svg)](https://github.com/nf-core/taxprofiler/actions?query=workflow%3A%22nf-core+CI%22)
 [![GitHub Actions Linting Status](https://github.com/nf-core/taxprofiler/workflows/nf-core%20linting/badge.svg)](https://github.com/nf-core/taxprofiler/actions?query=workflow%3A%22nf-core+linting%22)
diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml
index b0a0b1c..438fb42 100644
--- a/assets/multiqc_config.yml
+++ b/assets/multiqc_config.yml
@@ -9,3 +9,7 @@ report_section_order:
     order: -1001
 
 export_plots: true
+
+custom_logo: "nf-core-taxprofiler_logo_custom_light.png"
+custom_logo_url: https://nf-co.re/taxprofiler
+custom_logo_title: "nf-core/taxprofiler"
diff --git a/docs/images/nf-core-taxprofiler_icon.png b/docs/images/nf-core-taxprofiler_icon.png
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diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index b8b953b..2b78573 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -87,6 +87,7 @@ def multiqc_report = []
 workflow TAXPROFILER {
 
     ch_versions = Channel.empty()
+    ch_taxprofiler_logo = Channel.fromPath("$projectDir/docs/images/nf-core-taxprofiler_logo_custom_light.png")
 
     /*
         SUBWORKFLOW: Read in samplesheet, validate and stage input files
@@ -224,6 +225,8 @@ workflow TAXPROFILER {
     ch_multiqc_files = ch_multiqc_files.mix(CUSTOM_DUMPSOFTWAREVERSIONS.out.mqc_yml.collect())
     ch_multiqc_files = ch_multiqc_files.mix(FASTQC.out.zip.collect{it[1]}.ifEmpty([]))
 
+    ch_multiqc_files = ch_multiqc_files.mix(ch_taxprofiler_logo.ifEmpty([]))
+
     if (params.perform_shortread_clipmerge) {
         ch_multiqc_files = ch_multiqc_files.mix( SHORTREAD_PREPROCESSING.out.mqc.collect{it[1]}.ifEmpty([]) )
     }

From 792e2d019b94eb0d1f43da355350f8a066ecf0a2 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 31 May 2022 13:06:48 +0200
Subject: [PATCH 222/789] Fix merge error in schema

---
 nextflow_schema.json | 1 +
 1 file changed, 1 insertion(+)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 179daea..c38e5d1 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -427,5 +427,6 @@
         "longread_qc_targetnbases": {
             "type": "integer",
             "default": 500000000
+        }
     }
 }

From e916c91de3306518fab7f5b3d1773e7cbe86aea8 Mon Sep 17 00:00:00 2001
From: JIANHONG OU <jianhong@users.noreply.github.com>
Date: Tue, 31 May 2022 07:57:15 -0400
Subject: [PATCH 223/789] Delete null/pipeline_info directory

---
 null/pipeline_info/execution_trace_2022-05-21_11-05-12.txt | 1 -
 1 file changed, 1 deletion(-)
 delete mode 100644 null/pipeline_info/execution_trace_2022-05-21_11-05-12.txt

diff --git a/null/pipeline_info/execution_trace_2022-05-21_11-05-12.txt b/null/pipeline_info/execution_trace_2022-05-21_11-05-12.txt
deleted file mode 100644
index 6b739ac..0000000
--- a/null/pipeline_info/execution_trace_2022-05-21_11-05-12.txt
+++ /dev/null
@@ -1 +0,0 @@
-task_id	hash	native_id	name	status	exit	submit	duration	realtime	%cpu	peak_rss	peak_vmem	rchar	wchar

From 4d77b47e8d3400c6f348afcf8a2c8c653d1fd8e4 Mon Sep 17 00:00:00 2001
From: JIANHONG OU <jianhong@users.noreply.github.com>
Date: Tue, 31 May 2022 08:47:38 -0400
Subject: [PATCH 224/789] create a new test profile config for mOTUs.

---
 .github/workflows/ci.yml         |  4 +++-
 conf/test.config                 |  2 +-
 conf/test_motus.config           | 41 ++++++++++++++++++++++++++++++++
 conf/test_nopreprocessing.config |  2 +-
 docs/usage.md                    |  9 +++++++
 nextflow.config                  |  1 +
 6 files changed, 56 insertions(+), 3 deletions(-)
 create mode 100644 conf/test_motus.config

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 689a193..01c5535 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -42,6 +42,8 @@ jobs:
           - "--perform_runmerging"
           - "--perform_runmerging --shortread_clipmerge_mergepairs"
           - "--shortread_complexityfilter false --perform_shortread_hostremoval"
+        # Test different profiles
+        profile: ["test", "test_motus"]
 
     steps:
       - name: Check out pipeline code
@@ -70,4 +72,4 @@ jobs:
         # For example: adding multiple test runs with different parameters
         # Remember that you can parallelise this by using strategy.matrix
         run: |
-          nextflow run ${GITHUB_WORKSPACE} -profile test,docker --outdir ./results ${{ matrix.parameters }}
+          nextflow run ${GITHUB_WORKSPACE} -profile ${{ matrix.profile }},docker --outdir ./results ${{ matrix.parameters }}
diff --git a/conf/test.config b/conf/test.config
index cf983ab..3a6d265 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -37,7 +37,7 @@ params {
     run_metaphlan3                        = true
     run_centrifuge                        = true
     run_diamond                           = true
-    run_motus                             = true
+    run_motus                             = false
 }
 
 process {
diff --git a/conf/test_motus.config b/conf/test_motus.config
new file mode 100644
index 0000000..c645154
--- /dev/null
+++ b/conf/test_motus.config
@@ -0,0 +1,41 @@
+/*
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+    Nextflow config file for running minimal tests
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+    Defines input files and everything required to run a fast and simple pipeline test.
+
+    Use as follows:
+        nextflow run nf-core/taxprofiler -profile test,<docker/singularity> --outdir <OUTDIR>
+
+----------------------------------------------------------------------------------------
+*/
+
+params {
+    config_profile_name        = 'mOTUs Test profile'
+    config_profile_description = 'Minimal test to check mOTUs function'
+
+    // Limit resources so that this can run on GitHub Actions
+    max_cpus   = 2
+    max_memory = '6.GB'
+    max_time   = '6.h'
+
+    // Input data
+    // TODO nf-core: Specify the paths to your test data on nf-core/test-datasets
+    // TODO nf-core: Give any required params for the test so that command line flags are not needed
+    input                                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
+    databases                             = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
+    perform_shortread_clipmerge           = false
+    perform_longread_clip                 = false
+    perform_shortread_complexityfilter    = false
+    perform_shortread_hostremoval         = false
+    perform_longread_hostremoval          = false
+    perform_runmerging                    = false
+    hostremoval_reference                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/homo_sapiens/genome/genome.fasta'
+    run_kaiju                             = false
+    run_kraken2                           = false
+    run_malt                              = false
+    run_metaphlan3                        = false
+    run_centrifuge                        = false
+    run_diamond                           = false
+    run_motus                             = true
+}
diff --git a/conf/test_nopreprocessing.config b/conf/test_nopreprocessing.config
index 7658a2d..e52319f 100644
--- a/conf/test_nopreprocessing.config
+++ b/conf/test_nopreprocessing.config
@@ -37,7 +37,7 @@ params {
     run_metaphlan3                        = true
     run_centrifuge                        = true
     run_diamond                           = true
-    run_motus                             = true
+    run_motus                             = false
 }
 
 process {
diff --git a/docs/usage.md b/docs/usage.md
index 54ffce0..3172b30 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -77,6 +77,7 @@ kraken2,db1,,/<path>/<to>/kraken2/testdb-kraken2.tar.gz
 kraken2,db2,--quick,/<path>/<to>/kraken2/testdb-kraken2.tar.gz
 centrifuge,db1,,/<path>/<to>/centrifuge/minigut_cf.tar.gz
 metaphlan3,db1,,/<path>/<to>/metaphlan3/metaphlan_database/
+motus,db_mOTU,,/<path>/<to>/motus/motus_database/
 ```
 
 Column specifications are as follows:
@@ -131,6 +132,14 @@ Expected (uncompressed) database files for each tool are as follows:
 - **DIAMOND** output of `diamond makedb`. Note: requires building with taxonomy files
   to generate taxonomic profile. See [DIAMOND documentation](https://github.com/bbuchfink/diamond/wiki/3.-Command-line-options#makedb-options). A file named:
   - `<database_name>.dmnd`
+- **mOTUs** is composed of code and database together. The mOTUs tools
+  [`downloadDB`](https://github.com/motu-tool/mOTUs/blob/master/motus/downloadDB.py)
+  is used to prepare the mOTUs database and create a file with the version information.
+  The database download step can be time consuming and the database will be consisting
+  with same release version of the mOTUs tools. The database for same version tools
+  can be thus reused for multiple runs. Users can download the database once and
+  assign the database with the table. User can also set the parameter
+  `download_motus_db` and let the pipeline download the database automatically.
 
 ## Running the pipeline
 
diff --git a/nextflow.config b/nextflow.config
index 524c249..98e6cc5 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -193,6 +193,7 @@ profiles {
     test_full { includeConfig 'conf/test_full.config' }
     test_noprofiling { includeConfig 'conf/test_noprofiling.config' }
     test_nopreprocessing { includeConfig 'conf/test_nopreprocessing.config' }
+    test_motus { includeConfig 'conf/test_motus.config' }
 }
 
 // Load igenomes.config if required

From f0eb88cbe265e8f4a83577bcba10b614659605f8 Mon Sep 17 00:00:00 2001
From: JIANHONG OU <jianhong@users.noreply.github.com>
Date: Tue, 31 May 2022 08:57:00 -0400
Subject: [PATCH 225/789] add mOTUs to modules.config

---
 conf/modules.config | 14 ++++++++++++++
 1 file changed, 14 insertions(+)

diff --git a/conf/modules.config b/conf/modules.config
index 5d8398e..c2a3d85 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -337,6 +337,20 @@ process {
         ]
     }
 
+    withName: MOTUS_DOWNLOADDB {
+        publishDir = [
+            path: { "${params.outdir}/motus/db/${meta.db_name}" },
+            mode: params.publish_dir_mode
+        ]
+    }
+
+    withName: MOTUS_PROFILE {
+        publishDir = [
+            path: { "${params.outdir}/motus/${meta.db_name}" },
+            mode: params.publish_dir_mode
+        ]
+    }
+
     withName: CUSTOM_DUMPSOFTWAREVERSIONS {
         publishDir = [
             path: { "${params.outdir}/pipeline_info" },

From 16ec5bf74af50fbdcf675463d6ab030ae00d56b7 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 31 May 2022 20:11:19 +0200
Subject: [PATCH 226/789] Update parameter names

---
 conf/modules.config                      | 8 ++++----
 conf/test_nopreprocessing.config         | 4 ++--
 conf/test_noprofiling.config             | 4 ++--
 modules.json                             | 2 +-
 modules/nf-core/modules/filtlong/main.nf | 7 ++++---
 workflows/taxprofiler.nf                 | 6 +++---
 6 files changed, 16 insertions(+), 15 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 797a209..164fe91 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -54,7 +54,7 @@ process {
             params.shortread_qc_skipadaptertrim ? "--disable_adapter_trimming" : "",
             params.shortread_qc_adapter1 ? "--adapter_sequence ${params.shortread_qc_adapter1}" : "",
             // filtering options
-            "--length_required ${params.shortread_clipmerge_minlength}",
+            "--length_required ${params.shortread_qc_minlength}",
             (params.perform_shortread_complexityfilter && params.shortread_complexityfilter_tool == 'fastp') ? "--low_complexity_filter --complexity_threshold ${params.shortread_complexityfilter_fastp_threshold}" : ''
         ].join(' ').trim()
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
@@ -75,7 +75,7 @@ process {
             params.shortread_qc_adapter1 ? "--adapter_sequence ${params.shortread_qc_adapter1}" : "",
             params.shortread_qc_adapter2 ? "--adapter_sequence_r2 ${params.shortread_qc_adapter2}" : "--detect_adapter_for_pe",
             // filtering options
-            "--length_required ${params.shortread_clipmerge_minlength}",
+            "--length_required ${params.shortread_qc_minlength}",
             params.perform_shortread_complexityfilter && params.shortread_complexityfilter_tool == 'fastp' ? "--low_complexity_filter --complexity_threshold ${params.shortread_complexityfilter_fastp_threshold}" : ''
         ].join(' ').trim()
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
@@ -141,9 +141,9 @@ process {
             "--target_bases ${params.longread_qc_targetnbases}"
         ]
         .join(' ').trim()
-        ext.prefix = { "${meta.id}_${meta.run_accession}" }
+        ext.prefix = { "${meta.id}_${meta.run_accession}_filtered" }
         publishDir = [
-            path: { "${params.outdir}/porechop" },
+            path: { "${params.outdir}/filtlong" },
             mode: params.publish_dir_mode,
             pattern: '*.fastq.gz',
             enabled: params.save_preprocessed_reads
diff --git a/conf/test_nopreprocessing.config b/conf/test_nopreprocessing.config
index e8d4ed9..60cdde8 100644
--- a/conf/test_nopreprocessing.config
+++ b/conf/test_nopreprocessing.config
@@ -24,8 +24,8 @@ params {
     // TODO nf-core: Give any required params for the test so that command line flags are not needed
     input                                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
     databases                             = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
-    perform_shortread_clipmerge           = false
-    perform_longread_clip                 = false
+    perform_shortread_qc                  = false
+    perform_longread_qc                   = false
     perform_shortread_complexityfilter    = false
     perform_shortread_hostremoval         = false
     perform_longread_hostremoval          = false
diff --git a/conf/test_noprofiling.config b/conf/test_noprofiling.config
index f908651..379aaae 100644
--- a/conf/test_noprofiling.config
+++ b/conf/test_noprofiling.config
@@ -24,8 +24,8 @@ params {
     // TODO nf-core: Give any required params for the test so that command line flags are not needed
     input                                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
     databases                             = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
-    perform_shortread_clipmerge           = true
-    perform_longread_clip                 = true
+    perform_shortread_qc                  = true
+    perform_longread_qc                   = true
     perform_shortread_complexityfilter    = true
     perform_shortread_hostremoval         = true
     perform_longread_hostremoval          = true
diff --git a/modules.json b/modules.json
index 9520707..b27939b 100644
--- a/modules.json
+++ b/modules.json
@@ -37,7 +37,7 @@
                 "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
             },
             "filtlong": {
-                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
+                "git_sha": "723852bf3d3b12059b2f53da8bc055206f3019d7"
             },
             "kaiju/kaiju": {
                 "git_sha": "8856f127c58f6af479128be8b8df4d42e442ddbe"
diff --git a/modules/nf-core/modules/filtlong/main.nf b/modules/nf-core/modules/filtlong/main.nf
index 0e6fdd5..9dbf05b 100644
--- a/modules/nf-core/modules/filtlong/main.nf
+++ b/modules/nf-core/modules/filtlong/main.nf
@@ -11,7 +11,7 @@ process FILTLONG {
     tuple val(meta), path(shortreads), path(longreads)
 
     output:
-    tuple val(meta), path("${meta.id}_lr_filtlong.fastq.gz"), emit: reads
+    tuple val(meta), path("*.fastq.gz"), emit: reads
     path "versions.yml"                                     , emit: versions
 
     when:
@@ -20,13 +20,14 @@ process FILTLONG {
     script:
     def args = task.ext.args ?: ''
     def prefix = task.ext.prefix ?: "${meta.id}"
-    def short_reads = meta.single_end ? "-1 $shortreads" : "-1 ${shortreads[0]} -2 ${shortreads[1]}"
+    def short_reads = !shortreads ? "" : meta.single_end ? "-1 $shortreads" : "-1 ${shortreads[0]} -2 ${shortreads[1]}"
+    if ("$longreads" == "${prefix}.fastq.gz") error "Longread FASTQ input and output names are the same, set prefix in module configuration to disambiguate!"
     """
     filtlong \\
         $short_reads \\
         $args \\
         $longreads \\
-        | gzip -n > ${prefix}_lr_filtlong.fastq.gz
+        | gzip -n > ${prefix}.fastq.gz
 
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index a6ddaa3..1c48fd6 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -20,11 +20,11 @@ for (param in checkPathParamList) { if (param) { file(param, checkIfExists: true
 if (params.input    ) { ch_input     = file(params.input)     } else { exit 1, 'Input samplesheet not specified!' }
 if (params.databases) { ch_databases = file(params.databases) } else { exit 1, 'Input database sheet not specified!' }
 
-if (params.shortread_clipmerge_mergepairs && params.run_malt ) log.warn "[nf-core/taxprofiler] MALT does not accept uncollapsed paired-reads. Pairs will be profiled as separate files."
-if (params.shortread_clipmerge_excludeunmerged && !params.shortread_clipmerge_mergepairs) exit 1, "ERROR: [nf-core/taxprofiler] cannot include unmerged reads when merging not turned on. Please specify --shortread_clipmerge_mergepairs"
+if (params.shortread_qc_mergepairs && params.run_malt ) log.warn "[nf-core/taxprofiler] MALT does not accept uncollapsed paired-reads. Pairs will be profiled as separate files."
+if (params.shortread_qc_excludeunmerged && !params.shortread_qc_mergepairs) exit 1, "ERROR: [nf-core/taxprofiler] cannot include unmerged reads when merging not turned on. Please specify --shortread_qc_mergepairs"
 if ( (params.longread_qc_run_clip || params.longread_qc_run_filter) & !params.perform_longread_qc ) exit 1, "ERROR: [nf-core/taxprofiler] --longread_qc_run_clip or --longread_qc_run_filter requested but quality-control not turned on. Please specify --perform_long_qc"
 
-if (params.shortread_complexityfilter_tool == 'fastp' && ( params.perform_shortread_clipmerge == false || params.shortread_clipmerge_tool != 'fastp' ))  exit 1, "ERROR: [nf-core/taxprofiler] cannot use fastp complexity filtering if preprocessing not turned on and/or tool is not fastp. Please specify --perform_shortread_clipmerge and/or --shortread_clipmerge_tool 'fastp'"
+if (params.shortread_complexityfilter_tool == 'fastp' && ( params.perform_shortread_qc == false || params.shortread_qc_tool != 'fastp' ))  exit 1, "ERROR: [nf-core/taxprofiler] cannot use fastp complexity filtering if preprocessing not turned on and/or tool is not fastp. Please specify --perform_shortread_qc and/or --shortread_qc_tool 'fastp'"
 
 if (params.perform_shortread_hostremoval && !params.hostremoval_reference) { exit 1, "ERROR: [nf-core/taxprofiler] --shortread_hostremoval requested but no --hostremoval_reference FASTA supplied. Check input." }
 if (!params.hostremoval_reference && params.hostremoval_reference_index) { exit 1, "ERROR: [nf-core/taxprofiler] --shortread_hostremoval_index provided but no --hostremoval_reference FASTA supplied. Check input." }

From fa70a413cb85cc10c63b47195fbdb5b3c4e49192 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 31 May 2022 21:12:09 +0200
Subject: [PATCH 227/789] Use finally working filtlong module

---
 modules.json | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules.json b/modules.json
index b27939b..fe25bed 100644
--- a/modules.json
+++ b/modules.json
@@ -37,7 +37,7 @@
                 "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
             },
             "filtlong": {
-                "git_sha": "723852bf3d3b12059b2f53da8bc055206f3019d7"
+                "git_sha": "089f761f0bf79c4a486f1df9b6205f650196a2c1"
             },
             "kaiju/kaiju": {
                 "git_sha": "8856f127c58f6af479128be8b8df4d42e442ddbe"

From d3d28da1b18d60fa406e9c175f25d49396245084 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 2 Jun 2022 11:53:53 +0200
Subject: [PATCH 228/789] Update after review

---
 conf/modules.config  | 4 ++--
 conf/test.config     | 4 ++--
 nextflow.config      | 4 ++--
 nextflow_schema.json | 4 ++--
 4 files changed, 8 insertions(+), 8 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 164fe91..09b2ed9 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -137,8 +137,8 @@ process {
     withName: FILTLONG {
         ext.args = [
             "--min_length ${params.longread_qc_minlength}",
-            "--keep_percent ${params.longread_qc_keepbppercent}",
-            "--target_bases ${params.longread_qc_targetnbases}"
+            "--keep_percent ${params.longread_qc_keep_percent}",
+            "--target_bases ${params.longread_qc_target_bases}"
         ]
         .join(' ').trim()
         ext.prefix = { "${meta.id}_${meta.run_accession}_filtered" }
diff --git a/conf/test.config b/conf/test.config
index 6af771c..d6fc7fe 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -24,8 +24,8 @@ params {
     // TODO nf-core: Give any required params for the test so that command line flags are not needed
     input                                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
     databases                             = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
-    perform_shortread_qc           = true
-    perform_longread_qc                 = false
+    perform_shortread_qc                  = true
+    perform_longread_qc                   = true
     perform_shortread_complexityfilter    = true
     perform_shortread_hostremoval         = true
     perform_longread_hostremoval          = true
diff --git a/nextflow.config b/nextflow.config
index 5e9b385..d8f80ab 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -68,8 +68,8 @@ params {
     longread_qc_run_clip             = false
     longread_qc_run_filter           = false
     longread_qc_minlength            = 1000
-    longread_qc_keepbppercent        = 90
-    longread_qc_targetnbases         = 500000000
+    longread_qc_keep_percent        = 90
+    longread_qc_target_bases         = 500000000
 
     save_preprocessed_reads          = false
 
diff --git a/nextflow_schema.json b/nextflow_schema.json
index c38e5d1..e3cc558 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -420,11 +420,11 @@
             "type": "integer",
             "default": 1000
         },
-        "longread_qc_keepbppercent": {
+        "longread_qc_keep_percent": {
             "type": "integer",
             "default": 90
         },
-        "longread_qc_targetnbases": {
+        "longread_qc_target_bases": {
             "type": "integer",
             "default": 500000000
         }

From 2838c136bda47ad24d36b5ebb174998d58c57348 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 2 Jun 2022 12:51:39 +0200
Subject: [PATCH 229/789] Prettier

---
 modules.json         |  2 +-
 nextflow_schema.json | 45 +++++++-------------------------------------
 2 files changed, 8 insertions(+), 39 deletions(-)

diff --git a/modules.json b/modules.json
index 5cad32e..9d918b3 100644
--- a/modules.json
+++ b/modules.json
@@ -80,4 +80,4 @@
             }
         }
     }
-}
\ No newline at end of file
+}
diff --git a/nextflow_schema.json b/nextflow_schema.json
index e7b495d..f0093b1 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,10 +10,7 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": [
-                "input",
-                "outdir"
-            ],
+            "required": ["input", "outdir"],
             "properties": {
                 "input": {
                     "type": "string",
@@ -176,14 +173,7 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": [
-                        "symlink",
-                        "rellink",
-                        "link",
-                        "copy",
-                        "copyNoFollow",
-                        "move"
-                    ],
+                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -295,10 +285,7 @@
         "shortread_clipmerge_tool": {
             "type": "string",
             "default": "fastp",
-            "enum": [
-                "fastp",
-                "adapterremoval"
-            ]
+            "enum": ["fastp", "adapterremoval"]
         },
         "shortread_clipmerge_skipadaptertrim": {
             "type": "boolean"
@@ -340,10 +327,7 @@
         "shortread_complexityfilter_prinseqplusplus_mode": {
             "type": "string",
             "default": "entropy",
-            "enum": [
-                "entropy",
-                "dust"
-            ]
+            "enum": ["entropy", "dust"]
         },
         "shortread_complexityfilter_prinseqplusplus_dustscore": {
             "type": "number",
@@ -399,14 +383,7 @@
         "kaiju_taxon_name": {
             "type": "string",
             "default": "species",
-            "enum": [
-                "phylum",
-                "class",
-                "order",
-                "family",
-                "genus",
-                "species"
-            ]
+            "enum": ["phylum", "class", "order", "family", "genus", "species"]
         },
         "run_diamond": {
             "type": "boolean"
@@ -414,15 +391,7 @@
         "diamond_output_format": {
             "type": "string",
             "default": "tsv",
-            "enum": [
-                "blast",
-                "xml",
-                "txt",
-                "daa",
-                "sam",
-                "tsv",
-                "paf"
-            ]
+            "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"]
         },
         "longread_hostremoval_index": {
             "type": "string",
@@ -448,4 +417,4 @@
             "type": "boolean"
         }
     }
-}
\ No newline at end of file
+}

From 3313b90453ed0e4bf2571a28d1436427a05b90f7 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 3 Jun 2022 13:50:48 +0200
Subject: [PATCH 230/789] Fix JSOn schema

---
 nextflow_schema.json | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index a82ff9e..2c00348 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -418,7 +418,7 @@
         "longread_qc_target_bases": {
             "type": "integer",
             "default": 500000000
-        }
+        },
         "malt_save_reads": {
             "type": "boolean"
         },

From d48b3be5a780d87b30c8f9ce189a062676cc601a Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 3 Jun 2022 13:55:17 +0200
Subject: [PATCH 231/789] Tweak DIAMOND save_reads message

---
 nextflow.config          | 2 +-
 workflows/taxprofiler.nf | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/nextflow.config b/nextflow.config
index 11cbfc0..e5b8a1d 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -124,7 +124,7 @@ params {
     // diamond
     run_diamond                = false
     diamond_output_format      = 'tsv'  // TSV is only format with taxonomic information apparently
-    diamond_save_reads         = false // this will override diamound output format so no taxonomic profile is generated!
+    diamond_save_reads         = false // this will override default diamond output format so no taxonomic profile is generated!
 }
 
 // Load base.config by default for all pipelines
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 6a05dbe..f29a366 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -33,7 +33,7 @@ if (params.hostremoval_reference           ) { ch_reference = file(params.hostre
 if (params.shortread_hostremoval_index     ) { ch_shortread_reference_index = file(params.shortread_hostremoval_index    ) } else { ch_shortread_reference_index = [] }
 if (params.longread_hostremoval_index      ) { ch_longread_reference_index  = file(params.longread_hostremoval_index     ) } else { ch_longread_reference_index  = [] }
 
-if (params.diamond_save_reads              ) log.warn "[nf-core/taxprofiler] DIAMOND only allows output of a single format. Only aligned reads in SAM format will be produced, no taxonomic profiles will be available."
+if (params.diamond_save_reads              ) log.warn "[nf-core/taxprofiler] DIAMOND only allows output of a single format. As --diamond_save_reads supplied, only aligned reads in SAM format will be produced, no taxonomic profiles will be available."
 
 /*
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

From c8a59adbceb8790c02f49a31e95a89347ed2fc04 Mon Sep 17 00:00:00 2001
From: JIANHONG OU <jianhong@users.noreply.github.com>
Date: Fri, 3 Jun 2022 14:13:58 -0400
Subject: [PATCH 232/789] remove the database auto-download for mOTUs.

---
 .github/workflows/ci.yml                      | 54 +++++++++++++++++--
 conf/modules.config                           |  7 ---
 conf/test_motus.config                        |  2 +-
 docs/usage.md                                 |  3 +-
 modules.json                                  |  3 --
 .../nf-core/modules/motus/downloaddb/main.nf  | 39 --------------
 .../nf-core/modules/motus/downloaddb/meta.yml | 39 --------------
 nextflow.config                               |  2 -
 nextflow_schema.json                          |  8 ---
 subworkflows/local/db_check.nf                | 17 ------
 10 files changed, 53 insertions(+), 121 deletions(-)
 delete mode 100644 modules/nf-core/modules/motus/downloaddb/main.nf
 delete mode 100644 modules/nf-core/modules/motus/downloaddb/meta.yml

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 16a39a6..0088181 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -42,8 +42,6 @@ jobs:
           - "--perform_runmerging"
           - "--perform_runmerging --shortread_qc_mergepairs"
           - "--shortread_complexityfilter false --perform_shortread_hostremoval"
-        # Test different profiles
-        profile: ["test", "test_motus"]
 
     steps:
       - name: Check out pipeline code
@@ -72,4 +70,54 @@ jobs:
         # For example: adding multiple test runs with different parameters
         # Remember that you can parallelise this by using strategy.matrix
         run: |
-          nextflow run ${GITHUB_WORKSPACE} -profile ${{ matrix.profile }},docker --outdir ./results ${{ matrix.parameters }}
+          nextflow run ${GITHUB_WORKSPACE} -profile test,docker --outdir ./results ${{ matrix.parameters }}
+
+  motus:
+      name: Test mOTUs with workflow parameters
+      if: ${{ github.event_name != 'push' || (github.event_name == 'push' && github.repository == 'nf-core/taxprofiler') }}
+      runs-on: ubuntu-latest
+      env:
+        NXF_VER: ${{ matrix.nxf_ver }}
+        NXF_ANSI_LOG: false
+      strategy:
+        matrix:
+          # Nextflow versions
+          include:
+            # Test pipeline minimum Nextflow version
+            - NXF_VER: "21.10.3"
+              NXF_EDGE: ""
+            # Test latest edge release of Nextflow
+            - NXF_VER: ""
+              NXF_EDGE: "1"
+
+      steps:
+        - name: Check out pipeline code
+          uses: actions/checkout@v2
+
+        - name: Install Nextflow
+          env:
+            NXF_VER: ${{ matrix.NXF_VER }}
+            # Uncomment only if the edge release is more recent than the latest stable release
+            # See https://github.com/nextflow-io/nextflow/issues/2467
+            # NXF_EDGE: ${{ matrix.NXF_EDGE }}
+          run: |
+            wget -qO- get.nextflow.io | bash
+            sudo mv nextflow /usr/local/bin/
+
+        - name: Show current locale
+          run: locale
+
+        - name: Set UTF-8 enabled locale
+          run: |
+            sudo locale-gen en_US.UTF-8
+            sudo update-locale LANG=en_US.UTF-8
+
+        - name: Prepare the database
+          run: |
+            wget https://github.com/motu-tool/mOTUs/blob/master/motus/downloadDB.py
+            python downloadDB.py
+            echo 'tool,db_name,db_params,db_path\nmotus,db_mOTU,,db_mOTU' > 'database_motus.csv'
+
+        - name: Run pipeline with test data
+          run: |
+            nextflow run ${GITHUB_WORKSPACE} -profile test_motus,docker --outdir ./results --databases ./database_motus.csv
diff --git a/conf/modules.config b/conf/modules.config
index 1e7c260..66967e2 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -353,13 +353,6 @@ process {
         ]
     }
 
-    withName: MOTUS_DOWNLOADDB {
-        publishDir = [
-            path: { "${params.outdir}/motus/db/${meta.db_name}" },
-            mode: params.publish_dir_mode
-        ]
-    }
-
     withName: MOTUS_PROFILE {
         publishDir = [
             path: { "${params.outdir}/motus/${meta.db_name}" },
diff --git a/conf/test_motus.config b/conf/test_motus.config
index c645154..9d39ad4 100644
--- a/conf/test_motus.config
+++ b/conf/test_motus.config
@@ -23,7 +23,7 @@ params {
     // TODO nf-core: Specify the paths to your test data on nf-core/test-datasets
     // TODO nf-core: Give any required params for the test so that command line flags are not needed
     input                                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
-    databases                             = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
+    databases                             = 'database_motus.csv'
     perform_shortread_clipmerge           = false
     perform_longread_clip                 = false
     perform_shortread_complexityfilter    = false
diff --git a/docs/usage.md b/docs/usage.md
index b43ae12..ea21e54 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -138,8 +138,7 @@ Expected (uncompressed) database files for each tool are as follows:
   The database download step can be time consuming and the database will be consisting
   with same release version of the mOTUs tools. The database for same version tools
   can be thus reused for multiple runs. Users can download the database once and
-  assign the database with the table. User can also set the parameter
-  `download_motus_db` and let the pipeline download the database automatically.
+  assign the database with the table.
 
 ## Running the pipeline
 
diff --git a/modules.json b/modules.json
index 3e4dd9b..758ac22 100644
--- a/modules.json
+++ b/modules.json
@@ -63,9 +63,6 @@
             "minimap2/index": {
                 "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
             },
-            "motus/downloaddb": {
-                "git_sha": "6393a085c5fcea11963774c041808df169907487"
-            },
             "motus/profile": {
                 "git_sha": "6b960f0e75bbb4d5bd301cd3875fa078d0eab4d1"
             },
diff --git a/modules/nf-core/modules/motus/downloaddb/main.nf b/modules/nf-core/modules/motus/downloaddb/main.nf
deleted file mode 100644
index 317624b..0000000
--- a/modules/nf-core/modules/motus/downloaddb/main.nf
+++ /dev/null
@@ -1,39 +0,0 @@
-process MOTUS_DOWNLOADDB {
-    label 'process_low'
-
-    conda (params.enable_conda ? "bioconda::motus=3.0.1" : null)
-    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/motus:3.0.1--pyhdfd78af_0':
-        'quay.io/biocontainers/motus:3.0.1--pyhdfd78af_0' }"
-
-    input:
-    path motus_downloaddb_script
-
-    output:
-    path "db_mOTU/"                , emit: db
-    path "versions.yml"            , emit: versions
-
-    when:
-    task.ext.when == null || task.ext.when
-
-    script:
-    def args     = task.ext.args ?: ''
-    def software = "${motus_downloaddb_script.simpleName}_copy.py"
-    """
-    ## must copy script file to working directory,
-    ## otherwise the reference_db will be download to bin folder
-    ## other than current directory
-    cp $motus_downloaddb_script ${software}
-    python ${software} \\
-        $args \\
-        -t $task.cpus
-
-    ## mOTUs version number is not available from command line.
-    ## mOTUs save the version number in index database folder.
-    ## mOTUs will check the database version is same version as exec version.
-    cat <<-END_VERSIONS > versions.yml
-    "${task.process}":
-        mOTUs: \$(grep motus db_mOTU/db_mOTU_versions | sed 's/motus\\t//g')
-    END_VERSIONS
-    """
-}
diff --git a/modules/nf-core/modules/motus/downloaddb/meta.yml b/modules/nf-core/modules/motus/downloaddb/meta.yml
deleted file mode 100644
index 64df5ee..0000000
--- a/modules/nf-core/modules/motus/downloaddb/meta.yml
+++ /dev/null
@@ -1,39 +0,0 @@
-name: "motus_downloaddb"
-description: Download the mOTUs database
-keywords:
-  - classify
-  - metagenomics
-  - fastq
-  - taxonomic profiling
-  - database
-  - download
-tools:
-  - "motus":
-      description: "The mOTU profiler is a computational tool that estimates relative taxonomic abundance of known and currently unknown microbial community members using metagenomic shotgun sequencing data."
-      homepage: "None"
-      documentation: "https://github.com/motu-tool/mOTUs/wiki"
-      tool_dev_url: "https://github.com/motu-tool/mOTUs"
-      doi: "10.1038/s41467-019-08844-4"
-      licence: "['GPL v3']"
-
-input:
-  - motus_downloaddb:
-      type: directory
-      description: |
-        The mOTUs downloadDB script source file.
-        It is the source file installed or
-        remote source in github such as https://raw.githubusercontent.com/motu-tool/mOTUs/master/motus/downloadDB.py
-      pattern: "downloadDB.py"
-
-output:
-  - versions:
-      type: file
-      description: File containing software versions
-      pattern: "versions.yml"
-  - db:
-      type: directory
-      description: The mOTUs database directory
-      pattern: "db_mOTU"
-
-authors:
-  - "@jianhong"
diff --git a/nextflow.config b/nextflow.config
index 0ddd5c1..7f9f4c1 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -126,8 +126,6 @@ params {
 
     // mOTUs
     run_motus                  = false
-    download_motus_db          = true
-    motus_downloaddb_script    = 'https://raw.githubusercontent.com/motu-tool/mOTUs/master/motus/downloadDB.py'
 }
 
 // Load base.config by default for all pipelines
diff --git a/nextflow_schema.json b/nextflow_schema.json
index fc0d9e3..b380b84 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -430,14 +430,6 @@
         },
         "run_motus": {
             "type": "boolean"
-        },
-        "download_motus_db": {
-            "type": "boolean"
-        },
-        "motus_downloaddb_script": {
-            "type": "string",
-            "default": "https://raw.githubusercontent.com/motu-tool/mOTUs/master/motus/downloadDB.py",
-            "description": "mOTUs database download script path."
         }
     }
 }
diff --git a/subworkflows/local/db_check.nf b/subworkflows/local/db_check.nf
index 95eeefc..7b440c6 100644
--- a/subworkflows/local/db_check.nf
+++ b/subworkflows/local/db_check.nf
@@ -4,7 +4,6 @@
 
 include { DATABASE_CHECK   } from '../../modules/local/database_check'
 include { UNTAR            } from '../../modules/nf-core/modules/untar/main'
-include { MOTUS_DOWNLOADDB } from '../../modules/nf-core/modules/motus/downloaddb/main'
 
 workflow DB_CHECK {
     take:
@@ -21,22 +20,6 @@ workflow DB_CHECK {
         .splitCsv ( header:true, sep:',' )
         .map { create_db_channels(it) }
 
-    // Download database for mOTUs
-    if( params.run_motus ){
-        check_motus_db =
-            parsed_samplesheet.filter{ it[0].tool == "motus" }
-                .ifEmpty{[]}
-        if( params.download_motus_db ){
-            MOTUS_DOWNLOADDB( params.motus_downloaddb_script )
-            check_motus_db = MOTUS_DOWNLOADDB.out.db
-                .map{[
-                    [tool: "motus", db_name: "db_mOTU", db_params: ''],
-                    it
-                ]}
-        }
-        parsed_samplesheet = parsed_samplesheet.mix(check_motus_db)
-    }
-
     ch_dbs_for_untar = parsed_samplesheet
         .branch {
             untar: it[1].toString().endsWith(".tar.gz")

From 22f65eedc7054363d84f029851c17efa78567a15 Mon Sep 17 00:00:00 2001
From: JIANHONG OU <jianhong@users.noreply.github.com>
Date: Fri, 3 Jun 2022 14:16:25 -0400
Subject: [PATCH 233/789] fix the download address for downloadDB for mOTUs.

---
 .github/workflows/ci.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 0088181..61911a8 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -114,7 +114,7 @@ jobs:
 
         - name: Prepare the database
           run: |
-            wget https://github.com/motu-tool/mOTUs/blob/master/motus/downloadDB.py
+            wget https://raw.githubusercontent.com/motu-tool/mOTUs/master/motus/downloadDB.py
             python downloadDB.py
             echo 'tool,db_name,db_params,db_path\nmotus,db_mOTU,,db_mOTU' > 'database_motus.csv'
 

From 3cd3d2dad365558df2a71d7afc19820304e8c2f4 Mon Sep 17 00:00:00 2001
From: JIANHONG OU <jianhong@users.noreply.github.com>
Date: Fri, 3 Jun 2022 14:38:59 -0400
Subject: [PATCH 234/789] prettier write .

---
 .github/workflows/ci.yml | 84 ++++++++++++++++++++--------------------
 1 file changed, 42 insertions(+), 42 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 61911a8..c018947 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -73,51 +73,51 @@ jobs:
           nextflow run ${GITHUB_WORKSPACE} -profile test,docker --outdir ./results ${{ matrix.parameters }}
 
   motus:
-      name: Test mOTUs with workflow parameters
-      if: ${{ github.event_name != 'push' || (github.event_name == 'push' && github.repository == 'nf-core/taxprofiler') }}
-      runs-on: ubuntu-latest
-      env:
-        NXF_VER: ${{ matrix.nxf_ver }}
-        NXF_ANSI_LOG: false
-      strategy:
-        matrix:
-          # Nextflow versions
-          include:
-            # Test pipeline minimum Nextflow version
-            - NXF_VER: "21.10.3"
-              NXF_EDGE: ""
-            # Test latest edge release of Nextflow
-            - NXF_VER: ""
-              NXF_EDGE: "1"
+    name: Test mOTUs with workflow parameters
+    if: ${{ github.event_name != 'push' || (github.event_name == 'push' && github.repository == 'nf-core/taxprofiler') }}
+    runs-on: ubuntu-latest
+    env:
+      NXF_VER: ${{ matrix.nxf_ver }}
+      NXF_ANSI_LOG: false
+    strategy:
+      matrix:
+        # Nextflow versions
+        include:
+          # Test pipeline minimum Nextflow version
+          - NXF_VER: "21.10.3"
+            NXF_EDGE: ""
+          # Test latest edge release of Nextflow
+          - NXF_VER: ""
+            NXF_EDGE: "1"
 
-      steps:
-        - name: Check out pipeline code
-          uses: actions/checkout@v2
+    steps:
+      - name: Check out pipeline code
+        uses: actions/checkout@v2
 
-        - name: Install Nextflow
-          env:
-            NXF_VER: ${{ matrix.NXF_VER }}
-            # Uncomment only if the edge release is more recent than the latest stable release
-            # See https://github.com/nextflow-io/nextflow/issues/2467
-            # NXF_EDGE: ${{ matrix.NXF_EDGE }}
-          run: |
-            wget -qO- get.nextflow.io | bash
-            sudo mv nextflow /usr/local/bin/
+      - name: Install Nextflow
+        env:
+          NXF_VER: ${{ matrix.NXF_VER }}
+          # Uncomment only if the edge release is more recent than the latest stable release
+          # See https://github.com/nextflow-io/nextflow/issues/2467
+          # NXF_EDGE: ${{ matrix.NXF_EDGE }}
+        run: |
+          wget -qO- get.nextflow.io | bash
+          sudo mv nextflow /usr/local/bin/
 
-        - name: Show current locale
-          run: locale
+      - name: Show current locale
+        run: locale
 
-        - name: Set UTF-8 enabled locale
-          run: |
-            sudo locale-gen en_US.UTF-8
-            sudo update-locale LANG=en_US.UTF-8
+      - name: Set UTF-8 enabled locale
+        run: |
+          sudo locale-gen en_US.UTF-8
+          sudo update-locale LANG=en_US.UTF-8
 
-        - name: Prepare the database
-          run: |
-            wget https://raw.githubusercontent.com/motu-tool/mOTUs/master/motus/downloadDB.py
-            python downloadDB.py
-            echo 'tool,db_name,db_params,db_path\nmotus,db_mOTU,,db_mOTU' > 'database_motus.csv'
+      - name: Prepare the database
+        run: |
+          wget https://raw.githubusercontent.com/motu-tool/mOTUs/master/motus/downloadDB.py
+          python downloadDB.py > download_db_log.txt
+          echo 'tool,db_name,db_params,db_path\nmotus,db_mOTU,,db_mOTU' > 'database_motus.csv'
 
-        - name: Run pipeline with test data
-          run: |
-            nextflow run ${GITHUB_WORKSPACE} -profile test_motus,docker --outdir ./results --databases ./database_motus.csv
+      - name: Run pipeline with test data
+        run: |
+          nextflow run ${GITHUB_WORKSPACE} -profile test_motus,docker --outdir ./results --databases ./database_motus.csv

From 9fa6ecad56a11e85c02b547998445e3311618298 Mon Sep 17 00:00:00 2001
From: JIANHONG OU <jianhong@users.noreply.github.com>
Date: Fri, 3 Jun 2022 14:50:03 -0400
Subject: [PATCH 235/789] debug for database csv file

---
 .github/workflows/ci.yml | 6 +++++-
 1 file changed, 5 insertions(+), 1 deletion(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index c018947..96f507c 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -116,7 +116,11 @@ jobs:
         run: |
           wget https://raw.githubusercontent.com/motu-tool/mOTUs/master/motus/downloadDB.py
           python downloadDB.py > download_db_log.txt
-          echo 'tool,db_name,db_params,db_path\nmotus,db_mOTU,,db_mOTU' > 'database_motus.csv'
+          echo 'tool,db_name,db_params,db_path' > 'database_motus.csv'
+          echo 'motus,db_mOTU,,db_mOTU' >> 'database_motus.csv'
+          cat database_motus.csv
+          echo $PWD
+          ls $PWD
 
       - name: Run pipeline with test data
         run: |

From 713a341e097cb7313627b95af88bfc05b03fd759 Mon Sep 17 00:00:00 2001
From: JIANHONG OU <jianhong@users.noreply.github.com>
Date: Fri, 3 Jun 2022 15:22:33 -0400
Subject: [PATCH 236/789] clean up ci.yml

---
 .github/workflows/ci.yml | 3 ---
 1 file changed, 3 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 96f507c..9bdd7fb 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -118,9 +118,6 @@ jobs:
           python downloadDB.py > download_db_log.txt
           echo 'tool,db_name,db_params,db_path' > 'database_motus.csv'
           echo 'motus,db_mOTU,,db_mOTU' >> 'database_motus.csv'
-          cat database_motus.csv
-          echo $PWD
-          ls $PWD
 
       - name: Run pipeline with test data
         run: |

From 9462032d00824f16c55fe4a313404282eddab91d Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 3 Jun 2022 22:29:04 +0200
Subject: [PATCH 237/789] Fix MALT save_alignemnts reads and some clean up

---
 conf/test.config                             |  3 +++
 nextflow.config                              |  2 +-
 subworkflows/local/longread_preprocessing.nf |  2 +-
 subworkflows/local/profiling.nf              | 10 ++++------
 4 files changed, 9 insertions(+), 8 deletions(-)

diff --git a/conf/test.config b/conf/test.config
index 996d5de..e9fa62e 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -47,4 +47,7 @@ process {
     withName: MALT_RUN {
         maxForks = 1
     }
+    withName: MEGAN_RMA2INFO {
+        maxForks = 1
+    }
 }
diff --git a/nextflow.config b/nextflow.config
index e5b8a1d..73fd0b3 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -196,7 +196,7 @@ profiles {
     test      { includeConfig 'conf/test.config'      }
     test_full { includeConfig 'conf/test_full.config' }
     test_noprofiling { includeConfig 'conf/test_noprofiling.config' }
-    test_nopreprocessing { includeConfig 'conf/test_preprocessing.config' }
+    test_nopreprocessing { includeConfig 'conf/test_nopreprocessing.config' }
 }
 
 // Load igenomes.config if required
diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf
index 5ae5417..6a23b0e 100644
--- a/subworkflows/local/longread_preprocessing.nf
+++ b/subworkflows/local/longread_preprocessing.nf
@@ -48,7 +48,7 @@ workflow LONGREAD_PREPROCESSING {
 
     }
 
-    FASTQC_PROCESSED ( ch_processed_reads.dump(tag: "filtlong") )
+    FASTQC_PROCESSED ( ch_processed_reads )
     ch_multiqc_files = ch_multiqc_files.mix( FASTQC_PROCESSED.out.zip )
 
     emit:
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 18ea7fa..b83c78f 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -66,19 +66,17 @@ workflow PROFILING {
                                 .filter { it[0]['instrument_platform'] == 'ILLUMINA' }
                                 .map {
                                     meta, reads, db_meta, db ->
-                                        def sam_format = params.malt_save_reads ? ' --alignments' : ""
-                                        // TODO No MALT SAM?
-                                        // TODO check all aligned reads published
-                                        // TODO try turning on/off aligned reads
+                                        def sam_format = params.malt_save_reads ? ' --alignments ./ -za false' : ""
                                         // TODO wut? [9a/a441d6] Submitted process > NFCORE_TAXPROFILER:TAXPROFILER:PROFILING:MALT_RUN (null)
                                         def temp_meta = [ id: meta['db_name'] ]
                                         def new_db_meta = db_meta.clone()
                                         new_db_meta['db_params'] = db_meta['db_params'] + sam_format
                                         def new_meta = temp_meta + new_db_meta
-
+                                        new_meta['id'] = new_meta['db_name']
                                         [ new_meta, reads, db ]
                                 }
                                 .groupTuple(by: [0,2])
+                                .dump(tag: "into_malt")
                                 .multiMap {
                                     it ->
                                         reads: [ it[0], it[1].flatten() ]
@@ -192,7 +190,7 @@ workflow PROFILING {
         // this will replace output file!
         ch_diamond_reads_format = params.diamond_save_reads ? 'sam' : params.diamond_output_format
 
-        DIAMOND_BLASTX ( ch_input_for_diamond.reads, ch_input_for_diamond.db, params.diamond_output_format, [] )
+        DIAMOND_BLASTX ( ch_input_for_diamond.reads, ch_input_for_diamond.db, ch_diamond_reads_format , [] )
         ch_versions        = ch_versions.mix( DIAMOND_BLASTX.out.versions.first() )
         ch_raw_profiles    = ch_raw_profiles.mix( DIAMOND_BLASTX.out.tsv )
 

From ebdd5683b248d2664fbd41fdc32cb5bf06e2e4ab Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Fri, 3 Jun 2022 22:33:48 +0200
Subject: [PATCH 238/789] Apply suggestions from code review

---
 subworkflows/local/profiling.nf | 2 --
 1 file changed, 2 deletions(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index b83c78f..9bae127 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -67,7 +67,6 @@ workflow PROFILING {
                                 .map {
                                     meta, reads, db_meta, db ->
                                         def sam_format = params.malt_save_reads ? ' --alignments ./ -za false' : ""
-                                        // TODO wut? [9a/a441d6] Submitted process > NFCORE_TAXPROFILER:TAXPROFILER:PROFILING:MALT_RUN (null)
                                         def temp_meta = [ id: meta['db_name'] ]
                                         def new_db_meta = db_meta.clone()
                                         new_db_meta['db_params'] = db_meta['db_params'] + sam_format
@@ -76,7 +75,6 @@ workflow PROFILING {
                                         [ new_meta, reads, db ]
                                 }
                                 .groupTuple(by: [0,2])
-                                .dump(tag: "into_malt")
                                 .multiMap {
                                     it ->
                                         reads: [ it[0], it[1].flatten() ]

From dc48935651e5a32fabbd7e095cd034cdfec625db Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Tue, 7 Jun 2022 20:19:45 +0200
Subject: [PATCH 239/789] Apply suggestions from code review

---
 docs/usage.md | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/docs/usage.md b/docs/usage.md
index ea21e54..4090cf2 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -137,8 +137,8 @@ Expected (uncompressed) database files for each tool are as follows:
   is used to prepare the mOTUs database and create a file with the version information.
   The database download step can be time consuming and the database will be consisting
   with same release version of the mOTUs tools. The database for same version tools
-  can be thus reused for multiple runs. Users can download the database once and
-  assign the database with the table.
+  can be thus reused for multiple runs. Users can download the database once using the script above and
+  specify the path the database to the TSV table provided to `--databases`.
 
 ## Running the pipeline
 

From 490a8a8a840566a53ac252b107c3c1fff207c61c Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 9 Jun 2022 08:15:58 +0200
Subject: [PATCH 240/789] Remove dump

---
 subworkflows/local/profiling.nf | 1 -
 1 file changed, 1 deletion(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index b83c78f..03f0bf5 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -76,7 +76,6 @@ workflow PROFILING {
                                         [ new_meta, reads, db ]
                                 }
                                 .groupTuple(by: [0,2])
-                                .dump(tag: "into_malt")
                                 .multiMap {
                                     it ->
                                         reads: [ it[0], it[1].flatten() ]

From ec13b8d608c5a95e9a2e27ae6c2b76691d5b0448 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 9 Jun 2022 08:21:48 +0200
Subject: [PATCH 241/789] Remove support for uncompressed FASTQ files

---
 bin/check_samplesheet.py | 2 +-
 docs/usage.md            | 2 ++
 2 files changed, 3 insertions(+), 1 deletion(-)

diff --git a/bin/check_samplesheet.py b/bin/check_samplesheet.py
index d10ee90..47c6452 100755
--- a/bin/check_samplesheet.py
+++ b/bin/check_samplesheet.py
@@ -48,7 +48,7 @@ def check_samplesheet(file_in, file_out):
     2613,ERR5766181,ILLUMINA,ERX5474937_ERR5766181_1.fastq.gz,ERX5474937_ERR5766181_2.fastq.gz,
     """
 
-    FQ_EXTENSIONS = (".fq", ".fq.gz", ".fastq", ".fastq.gz")
+    FQ_EXTENSIONS = (".fq.gz", ".fastq.gz")
     FA_EXTENSIONS = (
         ".fa",
         ".fa.gz",
diff --git a/docs/usage.md b/docs/usage.md
index 54ffce0..8b40745 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -12,6 +12,8 @@
 
 nf-core/taxprofiler can accept as input raw or preprocessed single- or paired-end short-read (e.g. Illumina) FASTQ files, long-read FASTQ files (e.g. Oxford Nanopore), or FASTA sequences (available for a subset of profilers).
 
+> ⚠️ Input FASTQ files _must_ be gzipped, while FASTA files may optionally be uncompressed (although this is not recommended)
+
 You will need to create a samplesheet with information about the samples you would like to analyse before running the pipeline. Use this parameter to specify its location. It has to be a comma-separated file with 6 columns, and a header row as shown in the examples below. Furthermother, nf-core/taxprofiler also requires a second comma-separated file of 3 columns with a header row as in the examples below.
 
 This samplesheet is then specified on the command line as follows:

From 621b6a3d092e00a11086444083c95544ad8781b8 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Fri, 10 Jun 2022 11:27:51 +0200
Subject: [PATCH 242/789] Add comments about MALT id replacement and refactor
 for simplicity

---
 subworkflows/local/profiling.nf | 17 ++++++++++++-----
 1 file changed, 12 insertions(+), 5 deletions(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 9bae127..7d35837 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -66,13 +66,20 @@ workflow PROFILING {
                                 .filter { it[0]['instrument_platform'] == 'ILLUMINA' }
                                 .map {
                                     meta, reads, db_meta, db ->
-                                        def sam_format = params.malt_save_reads ? ' --alignments ./ -za false' : ""
-                                        def temp_meta = [ id: meta['db_name'] ]
+                                        def new_meta    = meta.clone()
                                         def new_db_meta = db_meta.clone()
+                                        
+                                        // Add the saving of alignments in SAM format to params
+                                        def sam_format = params.malt_save_reads ? ' --alignments ./ -za false' : ""
                                         new_db_meta['db_params'] = db_meta['db_params'] + sam_format
-                                        def new_meta = temp_meta + new_db_meta
-                                        new_meta['id'] = new_meta['db_name']
-                                        [ new_meta, reads, db ]
+                                        
+                                        // As MALT has huge databases, we don't run on a per-sample basis but multiple
+                                        // samples at once. This replaces the ID of the particular process with the 
+                                        // db_name instead to prevent `null` in job name, and in publishDir)
+                                        def updated_meta = new_meta + new_db_meta
+                                        updated_meta['id'] = updated_meta['db_name']
+
+                                        [ updated_meta, reads, db ]
                                 }
                                 .groupTuple(by: [0,2])
                                 .multiMap {

From e0ad49ebc9f22120ff001c08f3b21facf6038c22 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 10 Jun 2022 19:33:37 +0200
Subject: [PATCH 243/789] Fix metadata manipulaton for malt

---
 subworkflows/local/profiling.nf | 28 ++++++++++++++++------------
 1 file changed, 16 insertions(+), 12 deletions(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 7d35837..de5bea1 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -61,25 +61,29 @@ workflow PROFILING {
 
         // MALT: We groupTuple to have all samples in one channel for MALT as database
         // loading takes a long time, so we only want to run it once per database
-        // TODO document somewhere we only accept illumina short reads for MALT?
         ch_input_for_malt =  ch_input_for_profiling.malt
                                 .filter { it[0]['instrument_platform'] == 'ILLUMINA' }
                                 .map {
                                     meta, reads, db_meta, db ->
-                                        def new_meta    = meta.clone()
+
+                                        // Reset entire input meta for MALT to just database name,
+                                        // as we don't run run on a per-sample basis due to huge datbaases
+                                        // so all samples are in one run and so sample-specific metadata
+                                        // unnecessary. Set as database name to prevent `null` job ID and prefix.
+                                        def temp_meta = [ id: meta['db_name'] ]
+
+                                        // Extend database parameters to specify whether to save alignments or not
                                         def new_db_meta = db_meta.clone()
-                                        
-                                        // Add the saving of alignments in SAM format to params
                                         def sam_format = params.malt_save_reads ? ' --alignments ./ -za false' : ""
                                         new_db_meta['db_params'] = db_meta['db_params'] + sam_format
-                                        
-                                        // As MALT has huge databases, we don't run on a per-sample basis but multiple
-                                        // samples at once. This replaces the ID of the particular process with the 
-                                        // db_name instead to prevent `null` in job name, and in publishDir)
-                                        def updated_meta = new_meta + new_db_meta
-                                        updated_meta['id'] = updated_meta['db_name']
-
-                                        [ updated_meta, reads, db ]
+
+                                        // Combine reduced sample metadata with updated database parameters metadata,
+                                        // make sure id is db_name for publishing purposes.
+                                        def new_meta = temp_meta + new_db_meta
+                                        new_meta['id'] = new_meta['db_name']
+
+                                        [ new_meta, reads, db ]
+
                                 }
                                 .groupTuple(by: [0,2])
                                 .multiMap {

From c1a7d6335f1b4c73067926563f8e2d7b0ba80d57 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 13 Jun 2022 21:02:12 +0200
Subject: [PATCH 244/789] Do not require fixed column order

---
 bin/check_samplesheet.py | 14 ++++++++++----
 1 file changed, 10 insertions(+), 4 deletions(-)

diff --git a/bin/check_samplesheet.py b/bin/check_samplesheet.py
index d10ee90..d7ea5a9 100755
--- a/bin/check_samplesheet.py
+++ b/bin/check_samplesheet.py
@@ -37,6 +37,7 @@ def print_error(error, context="Line", context_str=""):
     print(error_str)
     sys.exit(1)
 
+
 def check_samplesheet(file_in, file_out):
     """
     This function checks that the samplesheet follows the following structure:
@@ -87,10 +88,13 @@ def check_samplesheet(file_in, file_out):
             "fasta",
         ]
         header = [x.strip('"') for x in fin.readline().strip().split(",")]
-        if header[: len(HEADER)] != HEADER:
+
+        ## Check for missing mandatory columns
+        missing_columns = list(set(HEADER) - set(header))
+        if len(missing_columns) > 0:
             print(
-                "ERROR: Please check samplesheet header -> {} != {}".format(
-                    ",".join(header), ",".join(HEADER)
+                "ERROR: Missing required column header -> {}. Note some columns can otherwise be empty. See pipeline documentation (https://nf-co.re/taxprofiler/usage).".format(
+                    ",".join(missing_columns)
                 )
             )
             sys.exit(1)
@@ -173,7 +177,9 @@ def check_samplesheet(file_in, file_out):
             ## Auto-detect paired-end/single-end
             if sample and fastq_1 and fastq_2:  ## Paired-end short reads
                 sample_info.extend(["0", fastq_1, fastq_2, fasta])
-            elif sample and fastq_1 and not fastq_2:  ## Single-end short/long fastq reads
+            elif (
+                sample and fastq_1 and not fastq_2
+            ):  ## Single-end short/long fastq reads
                 sample_info.extend(["1", fastq_1, fastq_2, fasta])
             elif (
                 sample and fasta and not fastq_1 and not fastq_2

From a84f693479340e5ae13f97576d76c42c7320d4c2 Mon Sep 17 00:00:00 2001
From: "Thomas A. Christensen II" <25492070+MillironX@users.noreply.github.com>
Date: Tue, 14 Jun 2022 08:13:36 -0500
Subject: [PATCH 245/789] Install KRAKENTOOLS_KREPORT2KRONA module

---
 modules.json                                  |  3 ++
 .../modules/krakentools/kreport2krona/main.nf | 36 ++++++++++++++++
 .../krakentools/kreport2krona/meta.yml        | 41 +++++++++++++++++++
 3 files changed, 80 insertions(+)
 create mode 100644 modules/nf-core/modules/krakentools/kreport2krona/main.nf
 create mode 100644 modules/nf-core/modules/krakentools/kreport2krona/meta.yml

diff --git a/modules.json b/modules.json
index a8f5a57..b9d9dba 100644
--- a/modules.json
+++ b/modules.json
@@ -48,6 +48,9 @@
             "kraken2/kraken2": {
                 "git_sha": "abe025677cdd805cc93032341ab19885473c1a07"
             },
+            "krakentools/kreport2krona": {
+                "git_sha": "8b2a473f586bed003e72d2b183acc43fc0ddc422"
+            },
             "malt/run": {
                 "git_sha": "72b96f4e504eef673f2b5c13560a9d90b669129b"
             },
diff --git a/modules/nf-core/modules/krakentools/kreport2krona/main.nf b/modules/nf-core/modules/krakentools/kreport2krona/main.nf
new file mode 100644
index 0000000..3bf46ee
--- /dev/null
+++ b/modules/nf-core/modules/krakentools/kreport2krona/main.nf
@@ -0,0 +1,36 @@
+def VERSION = '1.2' // Version information not provided by tool on CLI
+
+process KRAKENTOOLS_KREPORT2KRONA {
+    tag "$meta.id"
+    label 'process_low'
+
+    conda (params.enable_conda ? "bioconda::krakentools=1.2" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/krakentools:1.2--pyh5e36f6f_0':
+        'quay.io/biocontainers/krakentools:1.2--pyh5e36f6f_0' }"
+
+    input:
+    tuple val(meta), path(kreport)
+
+    output:
+    tuple val(meta), path("*.txt"), emit: txt
+    path "versions.yml", emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    """
+    kreport2krona.py \\
+        -r ${kreport} \\
+        -o ${prefix}.txt \\
+        ${args}
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        kreport2krona.py: ${VERSION}
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/modules/krakentools/kreport2krona/meta.yml b/modules/nf-core/modules/krakentools/kreport2krona/meta.yml
new file mode 100644
index 0000000..2f8a163
--- /dev/null
+++ b/modules/nf-core/modules/krakentools/kreport2krona/meta.yml
@@ -0,0 +1,41 @@
+name: krakentools_kreport2krona
+description: Takes a Kraken report file and prints out a krona-compatible TEXT file
+keywords:
+  - kraken
+  - krona
+  - metagenomics
+  - visualization
+tools:
+  - krakentools:
+      description: KrakenTools is a suite of scripts to be used for post-analysis of Kraken/KrakenUniq/Kraken2/Bracken results. Please cite the relevant paper if using KrakenTools with any of the listed programs.
+      homepage: https://github.com/jenniferlu717/KrakenTools
+      licence: ["GPL v3"]
+
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - kreport:
+      type: file
+      description: Kraken report
+      pattern: "*.{txt,kreport}"
+
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+  - krona:
+      type: file
+      description: Krona text-based input file converted from Kraken report
+      pattern: "*.{txt,krona}"
+
+authors:
+  - "@MillironX"

From 87678c127bb5ed16c05f860ff2df59a7c4524f19 Mon Sep 17 00:00:00 2001
From: "Thomas A. Christensen II" <25492070+MillironX@users.noreply.github.com>
Date: Tue, 14 Jun 2022 08:23:47 -0500
Subject: [PATCH 246/789] Add KRONA_CLEANUP process module

---
 modules/local/krona_cleanup.nf | 40 ++++++++++++++++++++++++++++++++++
 1 file changed, 40 insertions(+)
 create mode 100644 modules/local/krona_cleanup.nf

diff --git a/modules/local/krona_cleanup.nf b/modules/local/krona_cleanup.nf
new file mode 100644
index 0000000..804cb69
--- /dev/null
+++ b/modules/local/krona_cleanup.nf
@@ -0,0 +1,40 @@
+process KRONA_CLEANUP {
+    tag "$meta.id"
+    label 'process_low'
+
+    conda (params.enable_conda ? "conda-forge::sed=4.7" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://containers.biocontainers.pro/s3/SingImgsRepo/biocontainers/v1.2.0_cv1/biocontainers_v1.2.0_cv1.img' :
+        'biocontainers/biocontainers:v1.2.0_cv1' }"
+
+    input:
+    tuple val(meta), path(krona, stageAs: 'uncleaned.krona.txt')
+
+    output:
+    tuple val(meta), path("*.txt"), emit: txt
+    path "versions.yml", emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    """
+    # Copy the file to a new name
+    cp ${krona} ${prefix}.txt
+
+    # Remove ugly 'x__' prefixes for each of the taxonomic levels
+    LEVELS=(d k p c o f g s)
+    for L in "\${LEVELS[@]}"; do
+        sed -i "s/\${L}__//g" ${prefix}.txt
+    done
+
+    # Remove underscores that are standing in place of spaces
+    sed -i "s/_/ /g" ${prefix}.txt
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        sed: \$(echo \$(sed --version 2>&1) | sed 's/^.*GNU sed) //; s/ .*\$//')
+    END_VERSIONS
+    """
+}

From 5da8d5b7418cc778284f64110f7fe721a29aa148 Mon Sep 17 00:00:00 2001
From: "Thomas A. Christensen II" <25492070+MillironX@users.noreply.github.com>
Date: Tue, 14 Jun 2022 08:27:42 -0500
Subject: [PATCH 247/789] Install KRONA_KTIMPORTTEXT

---
 modules.json                                  |  3 ++
 .../modules/krona/ktimporttext/main.nf        | 34 ++++++++++++++
 .../modules/krona/ktimporttext/meta.yml       | 47 +++++++++++++++++++
 3 files changed, 84 insertions(+)
 create mode 100644 modules/nf-core/modules/krona/ktimporttext/main.nf
 create mode 100644 modules/nf-core/modules/krona/ktimporttext/meta.yml

diff --git a/modules.json b/modules.json
index b9d9dba..4956cc8 100644
--- a/modules.json
+++ b/modules.json
@@ -51,6 +51,9 @@
             "krakentools/kreport2krona": {
                 "git_sha": "8b2a473f586bed003e72d2b183acc43fc0ddc422"
             },
+            "krona/ktimporttext": {
+                "git_sha": "cdefbec66999c0b49d8bfeea9d6f9d19056635a2"
+            },
             "malt/run": {
                 "git_sha": "72b96f4e504eef673f2b5c13560a9d90b669129b"
             },
diff --git a/modules/nf-core/modules/krona/ktimporttext/main.nf b/modules/nf-core/modules/krona/ktimporttext/main.nf
new file mode 100644
index 0000000..de0cfc2
--- /dev/null
+++ b/modules/nf-core/modules/krona/ktimporttext/main.nf
@@ -0,0 +1,34 @@
+process KRONA_KTIMPORTTEXT {
+    tag "$meta.id"
+    label 'process_low'
+
+    conda (params.enable_conda ? "bioconda::krona=2.8.1" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/krona:2.8.1--pl5321hdfd78af_1':
+        'quay.io/biocontainers/krona:2.8.1--pl5321hdfd78af_1' }"
+
+    input:
+    tuple val(meta), path(report)
+
+    output:
+    tuple val(meta), path ('*.html'), emit: html
+    path "versions.yml"             , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    """
+    ktImportText  \\
+        $args \\
+        -o ${prefix}.html \\
+        $report
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        krona: \$( echo \$(ktImportText 2>&1) | sed 's/^.*KronaTools //g; s/- ktImportText.*\$//g')
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/modules/krona/ktimporttext/meta.yml b/modules/nf-core/modules/krona/ktimporttext/meta.yml
new file mode 100644
index 0000000..a7108e0
--- /dev/null
+++ b/modules/nf-core/modules/krona/ktimporttext/meta.yml
@@ -0,0 +1,47 @@
+name: "krona_ktimporttext"
+description: Creates a Krona chart from text files listing quantities and lineages.
+keywords:
+  - plot
+  - taxonomy
+  - interactive
+  - html
+  - visualisation
+  - krona chart
+  - metagenomics
+tools:
+  - krona:
+      description: Krona Tools is a set of scripts to create Krona charts from several Bioinformatics tools as well as from text and XML files.
+      homepage: https://github.com/marbl/Krona/wiki/KronaTools
+      documentation: http://manpages.ubuntu.com/manpages/impish/man1/ktImportTaxonomy.1.html
+      tool_dev_url: https://github.com/marbl/Krona
+      doi: 10.1186/1471-2105-12-385
+      licence: https://raw.githubusercontent.com/marbl/Krona/master/KronaTools/LICENSE.txt
+
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test']
+  - report:
+      type: file
+      description: "Tab-delimited text file. Each line should be a number followed by a list of wedges to contribute to (starting from the highest level). If no wedges are listed (and just a quantity is given), it will contribute to the top level. If the same lineage is listed more than once, the values will be added. Quantities can be omitted if -q is specified. Lines beginning with '#' will be ignored."
+      pattern: "*.{txt}"
+
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test' ]
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+  - html:
+      type: file
+      description: A html file containing an interactive krona plot.
+      pattern: "*.{html}"
+
+authors:
+  - "@jianhong"

From 2e7f26f380246ade93c56e50f5611fb8f0643b60 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Tue, 14 Jun 2022 20:09:48 +0000
Subject: [PATCH 248/789] Replace header tuple with sub-set list of only
 relevant columns for sample checking

---
 bin/check_samplesheet.py | 11 ++++++++++-
 1 file changed, 10 insertions(+), 1 deletion(-)

diff --git a/bin/check_samplesheet.py b/bin/check_samplesheet.py
index d7ea5a9..4e80b46 100755
--- a/bin/check_samplesheet.py
+++ b/bin/check_samplesheet.py
@@ -99,9 +99,17 @@ def check_samplesheet(file_in, file_out):
             )
             sys.exit(1)
 
+        ## Find locations of mandatory columns
+        header_locs = dict()
+        for i in HEADER:
+            header_locs[i] = header.index(i)
+
         ## Check sample entries
         for line in fin:
-            lspl = [x.strip().strip('"') for x in line.strip().split(",")]
+
+            ## Pull out only relevant columns for downstream checking
+            line_parsed = [x.strip().strip('"') for x in line.strip().split(",")]
+            lspl = [line_parsed[i] for i in header_locs.values()]
 
             # Check valid number of columns per row
             if len(lspl) < len(HEADER):
@@ -121,6 +129,7 @@ def check_samplesheet(file_in, file_out):
                 )
 
             ## Check sample name entries
+
             (
                 sample,
                 run_accession,

From 4ff2145e44d0c5b98f0d90cc43813cb343b2ee55 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 20 Jun 2022 08:23:14 +0200
Subject: [PATCH 249/789] Roll back MALT  version

---
 modules.json                             | 2 +-
 modules/nf-core/modules/malt/run/main.nf | 7 +++----
 2 files changed, 4 insertions(+), 5 deletions(-)

diff --git a/modules.json b/modules.json
index a8f5a57..9561b0f 100644
--- a/modules.json
+++ b/modules.json
@@ -49,7 +49,7 @@
                 "git_sha": "abe025677cdd805cc93032341ab19885473c1a07"
             },
             "malt/run": {
-                "git_sha": "72b96f4e504eef673f2b5c13560a9d90b669129b"
+                "git_sha": "be8d7b3293cac26cc63e4dbfb364deb8ed6ec7e5"
             },
             "megan/rma2info": {
                 "git_sha": "2d38566eca4cc15142b2ffa7c11837569b39aece"
diff --git a/modules/nf-core/modules/malt/run/main.nf b/modules/nf-core/modules/malt/run/main.nf
index 4e2e50c..2b91d90 100644
--- a/modules/nf-core/modules/malt/run/main.nf
+++ b/modules/nf-core/modules/malt/run/main.nf
@@ -2,10 +2,10 @@ process MALT_RUN {
     tag "$meta.id"
     label 'process_high'
 
-    conda (params.enable_conda ? "bioconda::malt=0.53" : null)
+    conda (params.enable_conda ? "bioconda::malt=0.41" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/malt:0.53--hdfd78af_0' :
-        'quay.io/biocontainers/malt:0.53--hdfd78af_0' }"
+        'https://depot.galaxyproject.org/singularity/malt:0.41--1' :
+        'quay.io/biocontainers/malt:0.41--1' }"
 
     input:
     tuple val(meta), path(fastqs)
@@ -33,7 +33,6 @@ process MALT_RUN {
 
     """
     malt-run \\
-        -J-Xmx${avail_mem}g \\
         -t $task.cpus \\
         -v \\
         -o . \\

From 4552b53e757518cd51791f4f841a068bd8896da9 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 20 Jun 2022 08:30:23 +0200
Subject: [PATCH 250/789] Add note about MALT version to docs

---
 docs/usage.md | 6 ++++++
 1 file changed, 6 insertions(+)

diff --git a/docs/usage.md b/docs/usage.md
index 9c47898..1893c10 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -213,6 +213,12 @@ Activating this functionality will concatenate the FASTQ files with the same sam
 
 You can optionally save the FASTQ output of the run merging with the `--save_runmerged_reads`.
 
+##### Profiling
+
+###### MALT
+
+nf-core/taxprofiler uses MALT 0.4.1, which is a compatively old version. However it has been found that the most recent version of MALT (0.5.\*), at the time of writing, is broken. [The the LCA step appears not to be executed](http://megan.informatik.uni-tuebingen.de/t/lca-placement-failure-with-malt-v-0-5-2-and-0-5-3/1996/3), pushing all hits to the leaves of the taxonomy. However, if you need to use a more recent taxonomy map file with your databases, the output of `malt-build` from MALT 0.5.3 should be still be compatible with `malt-run` of 0.4.1.
+
 ### Updating the pipeline
 
 When you run the above command, Nextflow automatically pulls the pipeline code from GitHub and stores it as a cached version. When running the pipeline after this, it will always use the cached version if available - even if the pipeline has been updated since. To make sure that you're running the latest version of the pipeline, make sure that you regularly update the cached version of the pipeline:

From a40a442178487dce25aa9f10109098976868a198 Mon Sep 17 00:00:00 2001
From: "Thomas A. Christensen II" <25492070+MillironX@users.noreply.github.com>
Date: Mon, 27 Jun 2022 08:22:47 -0500
Subject: [PATCH 251/789] Create VISUALIZATION_KRONA workflow to create Krona
 charts

---
 subworkflows/local/visualization_krona.nf | 55 +++++++++++++++++++++++
 1 file changed, 55 insertions(+)
 create mode 100644 subworkflows/local/visualization_krona.nf

diff --git a/subworkflows/local/visualization_krona.nf b/subworkflows/local/visualization_krona.nf
new file mode 100644
index 0000000..87db112
--- /dev/null
+++ b/subworkflows/local/visualization_krona.nf
@@ -0,0 +1,55 @@
+//
+// Create Krona visualizations
+//
+
+include { KRAKENTOOLS_KREPORT2KRONA } from '../../modules/nf-core/modules/krakentools/kreport2krona/main'
+include { KRONA_CLEANUP             } from '../../modules/local/krona_cleanup'
+include { KRONA_KTIMPORTTEXT        } from '../../modules/nf-core/modules/krona/ktimporttext/main'
+
+workflow VISUALIZATION_KRONA {
+    take:
+    profiles
+
+    main:
+    ch_krona_text = Channel.empty()
+    ch_krona_html = Channel.empty()
+    ch_versions = Channel.empty()
+
+    /*
+        Split profile results based on tool they come from
+    */
+    ch_input_profiles = profiles
+        .branch {
+            kraken2: it[0]['tool'] == 'kraken2'
+            unknown: true
+        }
+
+    /*
+        Convert Kraken2 formatted reports into Krona text files
+    */
+    ch_kraken_reports = ch_input_profiles.kraken2
+    KRAKENTOOLS_KREPORT2KRONA ( ch_kraken_reports )
+    ch_krona_text = ch_krona_text.mix( KRAKENTOOLS_KREPORT2KRONA.out.txt )
+    ch_versions = ch_versions.mix( KRAKENTOOLS_KREPORT2KRONA.out.versions.first() )
+
+    /*
+        Remove taxonomy level annotations from the Krona text files
+    */
+    KRONA_CLEANUP( ch_krona_text )
+    ch_cleaned_krona_text = KRONA_CLEANUP.out.txt
+    ch_versions = ch_versions.mix( KRONA_CLEANUP.out.versions.first() )
+
+    /*
+        Convert Krona text files into html Krona visualizations
+    */
+    ch_krona_text_for_import = ch_cleaned_krona_text
+        .map{[[id: it[0]['db_name']], it[1]]}
+        .groupTuple()
+    KRONA_KTIMPORTTEXT( ch_krona_text_for_import )
+    ch_krona_html = ch_krona_html.mix( KRONA_KTIMPORTTEXT.out.html )
+    ch_versions = ch_versions.mix( KRONA_KTIMPORTTEXT.out.versions.first() )
+
+    emit:
+    html = ch_krona_html
+    versions = ch_versions
+}

From ad9bc4b7e9d2ec09bcd8fd53a6ea67f86a1e2f73 Mon Sep 17 00:00:00 2001
From: "Thomas A. Christensen II" <25492070+MillironX@users.noreply.github.com>
Date: Mon, 20 Jun 2022 09:03:47 -0500
Subject: [PATCH 252/789] Add the visualization workflow to the main workflow

---
 workflows/taxprofiler.nf | 7 +++++++
 1 file changed, 7 insertions(+)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index f29a366..313790c 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -62,6 +62,7 @@ include { SHORTREAD_HOSTREMOVAL         } from '../subworkflows/local/shortread_
 include { LONGREAD_HOSTREMOVAL          } from '../subworkflows/local/longread_hostremoval'
 include { SHORTREAD_COMPLEXITYFILTERING } from '../subworkflows/local/shortread_complexityfiltering'
 include { PROFILING                     } from '../subworkflows/local/profiling'
+include { VISUALIZATION_KRONA           } from '../subworkflows/local/visualization_krona'
 
 /*
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
@@ -209,6 +210,12 @@ workflow TAXPROFILER {
     PROFILING ( ch_reads_runmerged, DB_CHECK.out.dbs )
     ch_versions = ch_versions.mix( PROFILING.out.versions )
 
+    /*
+        SUBWORKFLOW: VISUALIZATION_KRONA
+    */
+    VISUALIZATION_KRONA ( PROFILING.out.profiles )
+    ch_versions = ch_versions.mix( VISUALIZATION_KRONA.out.versions )
+
     /*
         MODULE: MultiQC
     */

From 0e8edd5b2f097e2c7a6c1b7a39fb5a19671395ce Mon Sep 17 00:00:00 2001
From: "Thomas A. Christensen II" <25492070+MillironX@users.noreply.github.com>
Date: Tue, 14 Jun 2022 08:48:16 -0500
Subject: [PATCH 253/789] Add output configuration for Kraken Krona chart

---
 conf/modules.config | 8 ++++++++
 1 file changed, 8 insertions(+)

diff --git a/conf/modules.config b/conf/modules.config
index 46320cf..f9d0329 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -293,6 +293,14 @@ process {
         ]
     }
 
+    withName: KRONA_KTIMPORTTEXT {
+        publishDir = [
+            path: { "${params.outdir}/krona" },
+            mode: params.publish_dir_mode,
+            pattern: '*.{html}'
+        ]
+    }
+
     withName: METAPHLAN3 {
         ext.args = { "${meta.db_params}" }
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }

From 15ac8b39fa8a2e6b490d05d69e1634f48eb35117 Mon Sep 17 00:00:00 2001
From: "Thomas A. Christensen II" <25492070+MillironX@users.noreply.github.com>
Date: Tue, 14 Jun 2022 10:54:10 -0500
Subject: [PATCH 254/789] Add citation for Krona

---
 CITATIONS.md | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/CITATIONS.md b/CITATIONS.md
index 8044658..1ce4ec2 100644
--- a/CITATIONS.md
+++ b/CITATIONS.md
@@ -36,6 +36,10 @@
 
   > Wood, Derrick E., Jennifer Lu, and Ben Langmead. 2019. Improved Metagenomic Analysis with Kraken 2. Genome Biology 20 (1): 257. doi: 10.1186/s13059-019-1891-0.
 
+- [Krona](https://doi.org/10.1186/1471-2105-12-385)
+
+  > Ondov, Brian D., Nicholas H. Bergman, and Adam M. Phillippy. 2011. Interactive metagenomic visualization in a Web browser. BMC Bioinformatics 12 (1): 385. doi: 10.1186/1471-2105-12-385.
+
 - [MALT](https://doi.org/10.1038/s41559-017-0446-6)
 
   > Vågene, Åshild J., Alexander Herbig, Michael G. Campana, Nelly M. Robles García, Christina Warinner, Susanna Sabin, Maria A. Spyrou, et al. 2018. Salmonella Enterica Genomes from Victims of a Major Sixteenth-Century Epidemic in Mexico. Nature Ecology & Evolution 2 (3): 520-28. doi: 10.1038/s41559-017-0446-6.

From 18284e6e32d1090336f37fd024bb5703cc80503b Mon Sep 17 00:00:00 2001
From: "Thomas A. Christensen II" <25492070+MillironX@users.noreply.github.com>
Date: Mon, 27 Jun 2022 08:41:42 -0500
Subject: [PATCH 255/789] Add run_krona option to allow skipping Krona chart
 creation

---
 conf/test.config                 | 1 +
 conf/test_nopreprocessing.config | 1 +
 nextflow.config                  | 3 +++
 nextflow_schema.json             | 3 +++
 workflows/taxprofiler.nf         | 6 ++++--
 5 files changed, 12 insertions(+), 2 deletions(-)

diff --git a/conf/test.config b/conf/test.config
index e9fa62e..04dfb4d 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -37,6 +37,7 @@ params {
     run_metaphlan3                        = true
     run_centrifuge                        = true
     run_diamond                           = true
+    run_krona                             = true
     malt_save_reads                       = true
     kraken2_save_reads                    = true
     centrifuge_save_reads                 = true
diff --git a/conf/test_nopreprocessing.config b/conf/test_nopreprocessing.config
index 60cdde8..92fd29d 100644
--- a/conf/test_nopreprocessing.config
+++ b/conf/test_nopreprocessing.config
@@ -37,6 +37,7 @@ params {
     run_metaphlan3                        = true
     run_centrifuge                        = true
     run_diamond                           = true
+    run_krona                             = true
 }
 
 process {
diff --git a/nextflow.config b/nextflow.config
index 73fd0b3..29c87cd 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -125,6 +125,9 @@ params {
     run_diamond                = false
     diamond_output_format      = 'tsv'  // TSV is only format with taxonomic information apparently
     diamond_save_reads         = false // this will override default diamond output format so no taxonomic profile is generated!
+
+    // krona
+    run_krona                  = false
 }
 
 // Load base.config by default for all pipelines
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 2c00348..682bf2f 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -433,6 +433,9 @@
         },
         "diamond_save_reads": {
             "type": "boolean"
+        },
+        "run_krona": {
+            "type": "boolean"
         }
     }
 }
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 313790c..f7ef07a 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -213,8 +213,10 @@ workflow TAXPROFILER {
     /*
         SUBWORKFLOW: VISUALIZATION_KRONA
     */
-    VISUALIZATION_KRONA ( PROFILING.out.profiles )
-    ch_versions = ch_versions.mix( VISUALIZATION_KRONA.out.versions )
+    if ( params.run_krona ) {
+        VISUALIZATION_KRONA ( PROFILING.out.profiles )
+        ch_versions = ch_versions.mix( VISUALIZATION_KRONA.out.versions )
+    }
 
     /*
         MODULE: MultiQC

From 23fec89b062d74b2052c31d982a52d301bc2809c Mon Sep 17 00:00:00 2001
From: "Thomas A. Christensen II" <25492070+MillironX@users.noreply.github.com>
Date: Mon, 27 Jun 2022 08:52:29 -0500
Subject: [PATCH 256/789] Add Krona chart creation for Centrifuge reports

---
 subworkflows/local/visualization_krona.nf | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/subworkflows/local/visualization_krona.nf b/subworkflows/local/visualization_krona.nf
index 87db112..b9f645d 100644
--- a/subworkflows/local/visualization_krona.nf
+++ b/subworkflows/local/visualization_krona.nf
@@ -20,6 +20,7 @@ workflow VISUALIZATION_KRONA {
     */
     ch_input_profiles = profiles
         .branch {
+            centrifuge: it[0]['tool'] == 'centrifuge'
             kraken2: it[0]['tool'] == 'kraken2'
             unknown: true
         }
@@ -28,6 +29,7 @@ workflow VISUALIZATION_KRONA {
         Convert Kraken2 formatted reports into Krona text files
     */
     ch_kraken_reports = ch_input_profiles.kraken2
+        .mix( ch_input_profiles.centrifuge )
     KRAKENTOOLS_KREPORT2KRONA ( ch_kraken_reports )
     ch_krona_text = ch_krona_text.mix( KRAKENTOOLS_KREPORT2KRONA.out.txt )
     ch_versions = ch_versions.mix( KRAKENTOOLS_KREPORT2KRONA.out.versions.first() )

From 5b80c7cab9e65702338f2c93e1f9dcfe06ecba28 Mon Sep 17 00:00:00 2001
From: "Thomas A. Christensen II" <25492070+MillironX@users.noreply.github.com>
Date: Mon, 27 Jun 2022 08:58:28 -0500
Subject: [PATCH 257/789] Install KAIJU_KAIJU2KRONA

---
 modules.json                                  |  3 ++
 .../nf-core/modules/kaiju/kaiju2krona/main.nf | 39 ++++++++++++++++
 .../modules/kaiju/kaiju2krona/meta.yml        | 44 +++++++++++++++++++
 3 files changed, 86 insertions(+)
 create mode 100644 modules/nf-core/modules/kaiju/kaiju2krona/main.nf
 create mode 100644 modules/nf-core/modules/kaiju/kaiju2krona/meta.yml

diff --git a/modules.json b/modules.json
index 4956cc8..1770a53 100644
--- a/modules.json
+++ b/modules.json
@@ -42,6 +42,9 @@
             "kaiju/kaiju": {
                 "git_sha": "8856f127c58f6af479128be8b8df4d42e442ddbe"
             },
+            "kaiju/kaiju2krona": {
+                "git_sha": "2f0b19240430de6807b1232e6d9d0e8084e8a28f"
+            },
             "kaiju/kaiju2table": {
                 "git_sha": "538dbac98ba9c8f799536cd5a617195501439457"
             },
diff --git a/modules/nf-core/modules/kaiju/kaiju2krona/main.nf b/modules/nf-core/modules/kaiju/kaiju2krona/main.nf
new file mode 100644
index 0000000..c95d5a7
--- /dev/null
+++ b/modules/nf-core/modules/kaiju/kaiju2krona/main.nf
@@ -0,0 +1,39 @@
+process KAIJU_KAIJU2KRONA {
+    tag "$meta.id"
+    label 'process_low'
+
+    conda (params.enable_conda ? "bioconda::kaiju=1.8.2" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/kaiju:1.8.2--h5b5514e_1':
+        'quay.io/biocontainers/kaiju:1.8.2--h5b5514e_1' }"
+
+    input:
+    tuple val(meta), path(tsv)
+    path(db)
+
+    output:
+    tuple val(meta), path("*.txt"), emit: txt
+    path "versions.yml"           , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    """
+    dbnodes=`find -L ${db} -name "*nodes.dmp"`
+    dbnames=`find -L ${db} -name "*names.dmp"`
+    kaiju2krona \\
+        $args \\
+        -t \$dbnodes \\
+        -n \$dbnames \\
+        -i ${tsv} \\
+        -o ${prefix}.txt
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        kaiju: \$(echo \$( kaiju -h 2>&1 | sed -n 1p | sed 's/^.*Kaiju //' ))
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/modules/kaiju/kaiju2krona/meta.yml b/modules/nf-core/modules/kaiju/kaiju2krona/meta.yml
new file mode 100644
index 0000000..a0dc2fd
--- /dev/null
+++ b/modules/nf-core/modules/kaiju/kaiju2krona/meta.yml
@@ -0,0 +1,44 @@
+name: kaiju_kaiju2krona
+description: Convert Kaiju's tab-separated output file into a tab-separated text file which can be imported into Krona.
+keywords:
+  - taxonomy
+  - visualisation
+  - krona chart
+  - metagenomics
+tools:
+  - "kaiju":
+      description: Fast and sensitive taxonomic classification for metagenomics
+      homepage: https://kaiju.binf.ku.dk/
+      documentation: https://github.com/bioinformatics-centre/kaiju/blob/master/README.md
+      tool_dev_url: https://github.com/bioinformatics-centre/kaiju
+      doi: "10.1038/ncomms11257"
+      licence: ["GNU GPL v3"]
+
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - tsv:
+      type: file
+      description: Kaiju tab-separated output file
+      pattern: "*.{tsv,txt}"
+
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+  - txt:
+      type: file
+      description: Krona text-based input file converted from Kaiju report
+      pattern: "*.{txt,krona}"
+
+authors:
+  - "@MillironX"

From 821dd844d8e7d87db095b2dc18ddb98cd01a81b4 Mon Sep 17 00:00:00 2001
From: "Thomas A. Christensen II" <25492070+MillironX@users.noreply.github.com>
Date: Mon, 27 Jun 2022 09:23:20 -0500
Subject: [PATCH 258/789] Add Kaiju profile conversion to visualization
 workflow

---
 subworkflows/local/visualization_krona.nf | 22 ++++++++++++++++++++++
 workflows/taxprofiler.nf                  |  2 +-
 2 files changed, 23 insertions(+), 1 deletion(-)

diff --git a/subworkflows/local/visualization_krona.nf b/subworkflows/local/visualization_krona.nf
index b9f645d..31dd5bc 100644
--- a/subworkflows/local/visualization_krona.nf
+++ b/subworkflows/local/visualization_krona.nf
@@ -2,6 +2,7 @@
 // Create Krona visualizations
 //
 
+include { KAIJU_KAIJU2KRONA         } from '../../modules/nf-core/modules/kaiju/kaiju2krona/main'
 include { KRAKENTOOLS_KREPORT2KRONA } from '../../modules/nf-core/modules/krakentools/kreport2krona/main'
 include { KRONA_CLEANUP             } from '../../modules/local/krona_cleanup'
 include { KRONA_KTIMPORTTEXT        } from '../../modules/nf-core/modules/krona/ktimporttext/main'
@@ -9,6 +10,7 @@ include { KRONA_KTIMPORTTEXT        } from '../../modules/nf-core/modules/krona/
 workflow VISUALIZATION_KRONA {
     take:
     profiles
+    databases
 
     main:
     ch_krona_text = Channel.empty()
@@ -21,6 +23,7 @@ workflow VISUALIZATION_KRONA {
     ch_input_profiles = profiles
         .branch {
             centrifuge: it[0]['tool'] == 'centrifuge'
+            kaiju: it[0]['tool'] == 'kaiju'
             kraken2: it[0]['tool'] == 'kraken2'
             unknown: true
         }
@@ -34,6 +37,25 @@ workflow VISUALIZATION_KRONA {
     ch_krona_text = ch_krona_text.mix( KRAKENTOOLS_KREPORT2KRONA.out.txt )
     ch_versions = ch_versions.mix( KRAKENTOOLS_KREPORT2KRONA.out.versions.first() )
 
+    /*
+        Combine Kaiju profiles with their databases
+    */
+    ch_input_for_kaiju2krona = ch_input_profiles.kaiju
+        .map{ [it[0]['db_name'], it[0], it[1]] }
+        .combine( databases.map{ [it[0]['db_name'], it[1]] }, by: 0 )
+        .multiMap{
+            it ->
+                profiles: [it[1], it[2]]
+                db: it[3]
+        }
+
+    /*
+        Convert Kaiju formatted reports into Krona text files
+    */
+    KAIJU_KAIJU2KRONA( ch_input_for_kaiju2krona.profiles, ch_input_for_kaiju2krona.db )
+    ch_krona_text = ch_krona_text.mix( KAIJU_KAIJU2KRONA.out.txt )
+    ch_versions = ch_versions.mix( KAIJU_KAIJU2KRONA.out.versions.first() )
+
     /*
         Remove taxonomy level annotations from the Krona text files
     */
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index f7ef07a..79a2bfd 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -214,7 +214,7 @@ workflow TAXPROFILER {
         SUBWORKFLOW: VISUALIZATION_KRONA
     */
     if ( params.run_krona ) {
-        VISUALIZATION_KRONA ( PROFILING.out.profiles )
+        VISUALIZATION_KRONA ( PROFILING.out.profiles, DB_CHECK.out.dbs )
         ch_versions = ch_versions.mix( VISUALIZATION_KRONA.out.versions )
     }
 

From af854f5f346c93f1b1eae655ac5e1808ced1a39c Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 28 Jun 2022 12:42:41 +0200
Subject: [PATCH 259/789] Update mimetype for database csv as per
 https://github.com/nf-core/mag/pull/325/files

---
 nextflow_schema.json | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 682bf2f..fe77913 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -260,6 +260,8 @@
     "properties": {
         "databases": {
             "type": "string",
+            "mimetype": "text/csv",
+            "format": "file-path",
             "default": "None"
         },
         "shortread_qc_excludeunmerged": {

From 4de43040a3403dae9b85679cdda9719ff2bb7117 Mon Sep 17 00:00:00 2001
From: "Thomas A. Christensen II" <25492070+MillironX@users.noreply.github.com>
Date: Mon, 27 Jun 2022 12:12:16 -0500
Subject: [PATCH 260/789] Switch to using raw classifications for Kaiju2Krona

---
 subworkflows/local/profiling.nf           | 25 ++++++++++++++---------
 subworkflows/local/visualization_krona.nf |  9 ++++++--
 workflows/taxprofiler.nf                  |  2 +-
 3 files changed, 23 insertions(+), 13 deletions(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index de5bea1..45c49f5 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -21,7 +21,8 @@ workflow PROFILING {
     main:
     ch_versions             = Channel.empty()
     ch_multiqc_files        = Channel.empty()
-    ch_raw_profiles    = Channel.empty()
+    ch_raw_classifications  = Channel.empty()
+    ch_raw_profiles         = Channel.empty()
 
 /*
         COMBINE READS WITH POSSIBLE DATABASES
@@ -110,6 +111,7 @@ workflow PROFILING {
         MEGAN_RMA2INFO (ch_maltrun_for_megan, params.malt_generate_megansummary )
         ch_multiqc_files   = ch_multiqc_files.mix( MALT_RUN.out.log.collect{it[1]}.ifEmpty([])  )
         ch_versions        = ch_versions.mix( MALT_RUN.out.versions.first(), MEGAN_RMA2INFO.out.versions.first() )
+        ch_raw_classifications = ch_raw_classifications.mix( ch_maltrun_for_megan )
         ch_raw_profiles    = ch_raw_profiles.mix( MEGAN_RMA2INFO.out.txt )
 
     }
@@ -124,9 +126,10 @@ workflow PROFILING {
                                 }
 
         KRAKEN2_KRAKEN2 ( ch_input_for_kraken2.reads, ch_input_for_kraken2.db, params.kraken2_save_reads, params.kraken2_save_readclassification )
-        ch_multiqc_files   = ch_multiqc_files.mix( KRAKEN2_KRAKEN2.out.report.collect{it[1]}.ifEmpty([])  )
-        ch_versions        = ch_versions.mix( KRAKEN2_KRAKEN2.out.versions.first() )
-        ch_raw_profiles    = ch_raw_profiles.mix( KRAKEN2_KRAKEN2.out.report )
+        ch_multiqc_files       = ch_multiqc_files.mix( KRAKEN2_KRAKEN2.out.report.collect{it[1]}.ifEmpty([])  )
+        ch_versions            = ch_versions.mix( KRAKEN2_KRAKEN2.out.versions.first() )
+        ch_raw_classifications = ch_raw_classifications.mix( KRAKEN2_KRAKEN2.out.classified_reads_assignment )
+        ch_raw_profiles        = ch_raw_profiles.mix( KRAKEN2_KRAKEN2.out.report )
 
     }
 
@@ -145,8 +148,9 @@ workflow PROFILING {
 
         CENTRIFUGE_CENTRIFUGE ( ch_input_for_centrifuge.reads, ch_input_for_centrifuge.db, params.centrifuge_save_reads, params.centrifuge_save_reads, params.centrifuge_save_reads  )
         CENTRIFUGE_KREPORT (CENTRIFUGE_CENTRIFUGE.out.results, ch_input_for_centrifuge.db)
-        ch_versions        = ch_versions.mix( CENTRIFUGE_CENTRIFUGE.out.versions.first() )
-        ch_raw_profiles    = ch_raw_profiles.mix( CENTRIFUGE_KREPORT.out.kreport )
+        ch_versions            = ch_versions.mix( CENTRIFUGE_CENTRIFUGE.out.versions.first() )
+        ch_raw_classifications = ch_raw_classifications.mix( CENTRIFUGE_CENTRIFUGE.out.results )
+        ch_raw_profiles        = ch_raw_profiles.mix( CENTRIFUGE_KREPORT.out.kreport )
 
     }
 
@@ -182,6 +186,7 @@ workflow PROFILING {
         KAIJU_KAIJU2TABLE (KAIJU_KAIJU.out.results, ch_input_for_kaiju.db, params.kaiju_taxon_name)
         ch_multiqc_files = ch_multiqc_files.mix( KAIJU_KAIJU2TABLE.out.summary.collect{it[1]}.ifEmpty([])  )
         ch_versions = ch_versions.mix( KAIJU_KAIJU.out.versions.first() )
+        ch_raw_classifications = ch_raw_classifications.mix( KAIJU_KAIJU.out.results )
         ch_raw_profiles = ch_raw_profiles.mix( KAIJU_KAIJU2TABLE.out.summary )
 
     }
@@ -206,8 +211,8 @@ workflow PROFILING {
     }
 
     emit:
-    profiles = ch_raw_profiles    // channel: [ val(meta), [ reads ] ] - should be text files or biom
-    versions = ch_versions          // channel: [ versions.yml ]
-    mqc      = ch_multiqc_files
+    classifications = ch_raw_classifications
+    profiles        = ch_raw_profiles    // channel: [ val(meta), [ reads ] ] - should be text files or biom
+    versions        = ch_versions          // channel: [ versions.yml ]
+    mqc             = ch_multiqc_files
 }
-
diff --git a/subworkflows/local/visualization_krona.nf b/subworkflows/local/visualization_krona.nf
index 31dd5bc..c5ca97a 100644
--- a/subworkflows/local/visualization_krona.nf
+++ b/subworkflows/local/visualization_krona.nf
@@ -9,6 +9,7 @@ include { KRONA_KTIMPORTTEXT        } from '../../modules/nf-core/modules/krona/
 
 workflow VISUALIZATION_KRONA {
     take:
+    classifications
     profiles
     databases
 
@@ -23,10 +24,14 @@ workflow VISUALIZATION_KRONA {
     ch_input_profiles = profiles
         .branch {
             centrifuge: it[0]['tool'] == 'centrifuge'
-            kaiju: it[0]['tool'] == 'kaiju'
             kraken2: it[0]['tool'] == 'kraken2'
             unknown: true
         }
+    ch_input_classifications = classifications
+        .branch {
+            kaiju: it[0]['tool'] == 'kaiju'
+            unknown: true
+        }
 
     /*
         Convert Kraken2 formatted reports into Krona text files
@@ -40,7 +45,7 @@ workflow VISUALIZATION_KRONA {
     /*
         Combine Kaiju profiles with their databases
     */
-    ch_input_for_kaiju2krona = ch_input_profiles.kaiju
+    ch_input_for_kaiju2krona = ch_input_classifications.kaiju
         .map{ [it[0]['db_name'], it[0], it[1]] }
         .combine( databases.map{ [it[0]['db_name'], it[1]] }, by: 0 )
         .multiMap{
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 79a2bfd..7eec13d 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -214,7 +214,7 @@ workflow TAXPROFILER {
         SUBWORKFLOW: VISUALIZATION_KRONA
     */
     if ( params.run_krona ) {
-        VISUALIZATION_KRONA ( PROFILING.out.profiles, DB_CHECK.out.dbs )
+        VISUALIZATION_KRONA ( PROFILING.out.classifications, PROFILING.out.profiles, DB_CHECK.out.dbs )
         ch_versions = ch_versions.mix( VISUALIZATION_KRONA.out.versions )
     }
 

From 069370db8610aedd557438b0f071771cf97832fd Mon Sep 17 00:00:00 2001
From: "Thomas A. Christensen II" <25492070+MillironX@users.noreply.github.com>
Date: Mon, 27 Jun 2022 13:39:42 -0500
Subject: [PATCH 261/789] Add unclassified and verbose flags to kaiju2krona

---
 conf/modules.config | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/conf/modules.config b/conf/modules.config
index f9d0329..6563cc9 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -351,6 +351,10 @@ process {
         ]
     }
 
+    withName: KAIJU_KAIJU2KRONA {
+        ext.args = '-v -u'
+    }
+
     withName: DIAMOND_BLASTX {
         ext.args = { "${meta.db_params}" }
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }

From 6673ccf8d8bb0883d5b066e16ac59293830a80c1 Mon Sep 17 00:00:00 2001
From: "Thomas A. Christensen II" <25492070+MillironX@users.noreply.github.com>
Date: Tue, 28 Jun 2022 13:13:37 +0000
Subject: [PATCH 262/789] Update channel assignment alignment in profiling
 subworkflow

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 subworkflows/local/profiling.nf | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 45c49f5..c10ef5b 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -109,10 +109,10 @@ workflow PROFILING {
                                 }
 
         MEGAN_RMA2INFO (ch_maltrun_for_megan, params.malt_generate_megansummary )
-        ch_multiqc_files   = ch_multiqc_files.mix( MALT_RUN.out.log.collect{it[1]}.ifEmpty([])  )
-        ch_versions        = ch_versions.mix( MALT_RUN.out.versions.first(), MEGAN_RMA2INFO.out.versions.first() )
+        ch_multiqc_files       = ch_multiqc_files.mix( MALT_RUN.out.log.collect{it[1]}.ifEmpty([])  )
+        ch_versions            = ch_versions.mix( MALT_RUN.out.versions.first(), MEGAN_RMA2INFO.out.versions.first() )
         ch_raw_classifications = ch_raw_classifications.mix( ch_maltrun_for_megan )
-        ch_raw_profiles    = ch_raw_profiles.mix( MEGAN_RMA2INFO.out.txt )
+        ch_raw_profiles        = ch_raw_profiles.mix( MEGAN_RMA2INFO.out.txt )
 
     }
 

From 0050f453456cdf7007881b2a7e4244c03a6a6c2c Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 30 Jun 2022 11:43:52 +0200
Subject: [PATCH 263/789] Add taxonomy directory param

---
 nextflow.config                           | 1 +
 subworkflows/local/visualization_krona.nf | 4 ++++
 2 files changed, 5 insertions(+)

diff --git a/nextflow.config b/nextflow.config
index 29c87cd..88b8d43 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -128,6 +128,7 @@ params {
 
     // krona
     run_krona                  = false
+    krona_taxonomy_directory   = null
 }
 
 // Load base.config by default for all pipelines
diff --git a/subworkflows/local/visualization_krona.nf b/subworkflows/local/visualization_krona.nf
index b9f645d..d945184 100644
--- a/subworkflows/local/visualization_krona.nf
+++ b/subworkflows/local/visualization_krona.nf
@@ -51,6 +51,10 @@ workflow VISUALIZATION_KRONA {
     ch_krona_html = ch_krona_html.mix( KRONA_KTIMPORTTEXT.out.html )
     ch_versions = ch_versions.mix( KRONA_KTIMPORTTEXT.out.versions.first() )
 
+    /*
+        Convert Krona
+    */
+
     emit:
     html = ch_krona_html
     versions = ch_versions

From 02c06b9f7bc24085cd271cd100f47e02373ff60d Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 30 Jun 2022 18:33:11 +0200
Subject: [PATCH 264/789] Add support for MALT display in Krona, tweaks other
 krona modules to dispaly tool name in output file

---
 conf/modules.config                           | 27 ++++++++++-
 modules.json                                  |  6 +++
 modules/nf-core/modules/gunzip/main.nf        | 34 ++++++++++++++
 modules/nf-core/modules/gunzip/meta.yml       | 34 ++++++++++++++
 .../modules/krona/ktimporttaxonomy/main.nf    | 38 +++++++++++++++
 .../modules/krona/ktimporttaxonomy/meta.yml   | 47 +++++++++++++++++++
 subworkflows/local/visualization_krona.nf     | 21 ++++++++-
 workflows/taxprofiler.nf                      |  2 +
 8 files changed, 206 insertions(+), 3 deletions(-)
 create mode 100644 modules/nf-core/modules/gunzip/main.nf
 create mode 100644 modules/nf-core/modules/gunzip/meta.yml
 create mode 100644 modules/nf-core/modules/krona/ktimporttaxonomy/main.nf
 create mode 100644 modules/nf-core/modules/krona/ktimporttaxonomy/meta.yml

diff --git a/conf/modules.config b/conf/modules.config
index 6563cc9..098d9bb 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -273,7 +273,7 @@ process {
         ]
     }
 
-    withName: MEGAN_RMA2INFO {
+    withName: 'NFCORE_TAXPROFILER:TAXPROFILER:PROFILING:MEGAN_RMA2INFO' {
         ext.args = "-c2c Taxonomy"
         ext.prefix = { "${meta.id}" }
         publishDir = [
@@ -293,7 +293,32 @@ process {
         ]
     }
 
+    withName: KRONA_CLEANUP {
+        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+        publishDir = [
+            path: { "${params.outdir}/krona" },
+            mode: params.publish_dir_mode,
+            pattern: '*.{html}'
+        ]
+    }
+
     withName: KRONA_KTIMPORTTEXT {
+        ext.prefix = { "${meta.tool}-${meta.id}" }
+        publishDir = [
+            path: { "${params.outdir}/krona" },
+            mode: params.publish_dir_mode,
+            pattern: '*.{html}'
+        ]
+    }
+
+    withName: 'NFCORE_TAXPROFILER:TAXPROFILER:VISUALIZATION_KRONA:MEGAN_RMA2INFO' {
+        ext.args = { "--read2class Taxonomy" }
+        ext.prefix = { "${meta.id}-${meta.db_name}" }
+    }
+
+    withName: KRONA_KTIMPORTTAXONOMY {
+        ext.args = "-i"
+        ext.prefix = { "${meta.tool}-${meta.id}" }
         publishDir = [
             path: { "${params.outdir}/krona" },
             mode: params.publish_dir_mode,
diff --git a/modules.json b/modules.json
index 7da0e79..13c6592 100644
--- a/modules.json
+++ b/modules.json
@@ -39,6 +39,9 @@
             "filtlong": {
                 "git_sha": "089f761f0bf79c4a486f1df9b6205f650196a2c1"
             },
+            "gunzip": {
+                "git_sha": "9aadd9a6d3f5964476582319b3a1c54a3e3fe7c9"
+            },
             "kaiju/kaiju": {
                 "git_sha": "8856f127c58f6af479128be8b8df4d42e442ddbe"
             },
@@ -54,6 +57,9 @@
             "krakentools/kreport2krona": {
                 "git_sha": "8b2a473f586bed003e72d2b183acc43fc0ddc422"
             },
+            "krona/ktimporttaxonomy": {
+                "git_sha": "233fa70811a03a4cecb2ece483b5c8396e2cee1d"
+            },
             "krona/ktimporttext": {
                 "git_sha": "cdefbec66999c0b49d8bfeea9d6f9d19056635a2"
             },
diff --git a/modules/nf-core/modules/gunzip/main.nf b/modules/nf-core/modules/gunzip/main.nf
new file mode 100644
index 0000000..61bf1af
--- /dev/null
+++ b/modules/nf-core/modules/gunzip/main.nf
@@ -0,0 +1,34 @@
+process GUNZIP {
+    tag "$archive"
+    label 'process_low'
+
+    conda (params.enable_conda ? "conda-forge::sed=4.7" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/ubuntu:20.04' :
+        'ubuntu:20.04' }"
+
+    input:
+    tuple val(meta), path(archive)
+
+    output:
+    tuple val(meta), path("$gunzip"), emit: gunzip
+    path "versions.yml"             , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    gunzip = archive.toString() - '.gz'
+    """
+    gunzip \\
+        -f \\
+        $args \\
+        $archive
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        gunzip: \$(echo \$(gunzip --version 2>&1) | sed 's/^.*(gzip) //; s/ Copyright.*\$//')
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/modules/gunzip/meta.yml b/modules/nf-core/modules/gunzip/meta.yml
new file mode 100644
index 0000000..4d2ebc8
--- /dev/null
+++ b/modules/nf-core/modules/gunzip/meta.yml
@@ -0,0 +1,34 @@
+name: gunzip
+description: Compresses and decompresses files.
+keywords:
+  - gunzip
+  - compression
+tools:
+  - gunzip:
+    description: |
+      gzip is a file format and a software application used for file compression and decompression.
+    documentation: https://www.gnu.org/software/gzip/manual/gzip.html
+    licence: ["GPL-3.0-or-later"]
+input:
+  - meta:
+    type: map
+    description: |
+      Optional groovy Map containing meta information
+      e.g. [ id:'test', single_end:false ]
+  - archive:
+    type: file
+    description: File to be compressed/uncompressed
+    pattern: "*.*"
+output:
+  - gunzip:
+    type: file
+    description: Compressed/uncompressed file
+    pattern: "*.*"
+  - versions:
+    type: file
+    description: File containing software versions
+    pattern: "versions.yml"
+authors:
+  - "@joseespinosa"
+  - "@drpatelh"
+  - "@jfy133"
diff --git a/modules/nf-core/modules/krona/ktimporttaxonomy/main.nf b/modules/nf-core/modules/krona/ktimporttaxonomy/main.nf
new file mode 100644
index 0000000..5ea9e9e
--- /dev/null
+++ b/modules/nf-core/modules/krona/ktimporttaxonomy/main.nf
@@ -0,0 +1,38 @@
+process KRONA_KTIMPORTTAXONOMY {
+    tag "${meta.id}"
+    label 'process_high'
+
+    // WARN: Version information not provided by tool on CLI. Please update version string below when bumping container versions.
+    conda (params.enable_conda ? "bioconda::krona=2.8" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/krona:2.8--pl5262hdfd78af_2' :
+        'quay.io/biocontainers/krona:2.8--pl5262hdfd78af_2' }"
+
+    input:
+    tuple val(meta), path(report)
+    path taxonomy
+
+    output:
+    tuple val(meta), path ('*.html'), emit: html
+    path "versions.yml"             , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    def VERSION = '2.8' // WARN: Version information not provided by tool on CLI. Please update this string when bumping container versions.
+    """
+    ktImportTaxonomy \\
+        $args \\
+        -o ${prefix}.html \\
+        -tax $taxonomy \\
+        $report
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        krona: $VERSION
+    END_VERSIONS
+    """
+}
\ No newline at end of file
diff --git a/modules/nf-core/modules/krona/ktimporttaxonomy/meta.yml b/modules/nf-core/modules/krona/ktimporttaxonomy/meta.yml
new file mode 100644
index 0000000..df0ad1c
--- /dev/null
+++ b/modules/nf-core/modules/krona/ktimporttaxonomy/meta.yml
@@ -0,0 +1,47 @@
+name: krona_ktimporttaxonomy
+description: KronaTools Import Taxonomy imports taxonomy classifications and produces an interactive Krona plot.
+keywords:
+  - plot
+  - taxonomy
+  - interactive
+  - html
+  - visualisation
+  - krona chart
+tools:
+  - krona:
+      description: Krona Tools is a set of scripts to create Krona charts from several Bioinformatics tools as well as from text and XML files.
+      homepage: https://github.com/marbl/Krona/wiki/KronaTools
+      documentation: http://manpages.ubuntu.com/manpages/impish/man1/ktImportTaxonomy.1.html
+      tool_dev_url:
+      doi: https://doi.org/10.1186/1471-2105-12-385
+      licence:
+
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test']
+  - database:
+      type: file
+      description: |
+        Path to the taxonomy database .tab file downloaded by krona/ktUpdateTaxonomy
+        The file will be saved under a folder named "taxonomy" as "taxonomy/taxonomy.tab".
+        The parent folder will be passed as argument to ktImportTaxonomy.
+  - report:
+      type: file
+      description: "A tab-delimited file with taxonomy IDs and (optionally) query IDs, magnitudes, and scores.  Query IDs are taken from column 1, taxonomy IDs from column 2, and scores from column 3.  Lines beginning with # will be ignored."
+      pattern: "*.{tsv}"
+
+output:
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+  - html:
+      type: file
+      description: A html file containing an interactive krona plot.
+      pattern: "*.{html}"
+
+authors:
+  - "@mjakobs"
diff --git a/subworkflows/local/visualization_krona.nf b/subworkflows/local/visualization_krona.nf
index aac7475..7a94fc6 100644
--- a/subworkflows/local/visualization_krona.nf
+++ b/subworkflows/local/visualization_krona.nf
@@ -2,10 +2,13 @@
 // Create Krona visualizations
 //
 
+include { MEGAN_RMA2INFO            } from '../../modules/nf-core/modules/megan/rma2info/main'
 include { KAIJU_KAIJU2KRONA         } from '../../modules/nf-core/modules/kaiju/kaiju2krona/main'
 include { KRAKENTOOLS_KREPORT2KRONA } from '../../modules/nf-core/modules/krakentools/kreport2krona/main'
 include { KRONA_CLEANUP             } from '../../modules/local/krona_cleanup'
 include { KRONA_KTIMPORTTEXT        } from '../../modules/nf-core/modules/krona/ktimporttext/main'
+include { KRONA_KTIMPORTTAXONOMY    } from '../../modules/nf-core/modules/krona/ktimporttaxonomy/main'
+include { GUNZIP                    } from '../../modules/nf-core/modules/gunzip/main'
 
 workflow VISUALIZATION_KRONA {
     take:
@@ -30,6 +33,7 @@ workflow VISUALIZATION_KRONA {
     ch_input_classifications = classifications
         .branch {
             kaiju: it[0]['tool'] == 'kaiju'
+            malt: it[0]['tool'] == 'malt'
             unknown: true
         }
 
@@ -72,15 +76,28 @@ workflow VISUALIZATION_KRONA {
         Convert Krona text files into html Krona visualizations
     */
     ch_krona_text_for_import = ch_cleaned_krona_text
-        .map{[[id: it[0]['db_name']], it[1]]}
+        .map{[[id: it[0]['db_name'], tool: it[0]['tool']], it[1]]}
         .groupTuple()
+        .dump(tag: "text")
     KRONA_KTIMPORTTEXT( ch_krona_text_for_import )
     ch_krona_html = ch_krona_html.mix( KRONA_KTIMPORTTEXT.out.html )
     ch_versions = ch_versions.mix( KRONA_KTIMPORTTEXT.out.versions.first() )
 
     /*
-        Convert Krona
+        Convert MALT/MEGAN RMA2INFO files into html Krona visualisations
     */
+    if ( params.krona_taxonomy_directory ) {
+        MEGAN_RMA2INFO ( ch_input_classifications.malt, false )
+        GUNZIP ( MEGAN_RMA2INFO.out.txt )
+        ch_krona_taxonomy_for_input = GUNZIP.out.gunzip
+            .map{[[id: it[0]['db_name'], tool: it[0]['tool']], it[1]]}
+            .groupTuple()
+            .dump(tag: "taxonomy")
+        KRONA_KTIMPORTTAXONOMY ( ch_krona_taxonomy_for_input, file(params.krona_taxonomy_directory, checkExists: true) )
+        ch_krona_html.mix( KRONA_KTIMPORTTAXONOMY.out.html )
+        ch_versions = ch_versions.mix( MEGAN_RMA2INFO.out.versions.first() )
+        ch_versions = ch_versions.mix( KRONA_KTIMPORTTAXONOMY.out.versions.first() )
+    }
 
     emit:
     html = ch_krona_html
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 7eec13d..2037649 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -35,6 +35,8 @@ if (params.longread_hostremoval_index      ) { ch_longread_reference_index  = fi
 
 if (params.diamond_save_reads              ) log.warn "[nf-core/taxprofiler] DIAMOND only allows output of a single format. As --diamond_save_reads supplied, only aligned reads in SAM format will be produced, no taxonomic profiles will be available."
 
+if (params.run_malt && params.run_krona && !params.krona_taxonomy_directory) log.warn "[nf-core/taxprofiler] Krona can only be run on MALT output if path to Krona taxonomy database supplied to --krona_taxonomy_directory. Krona will not be executed in this run for MALT."
+
 /*
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
     CONFIG FILES

From 97e6cdf4b4a8944fc60fb12389f4a9ab868aa216 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 30 Jun 2022 18:36:13 +0200
Subject: [PATCH 265/789] Add Krona taxonomy DB to schema build

---
 nextflow_schema.json | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index fe77913..78635a7 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -438,6 +438,10 @@
         },
         "run_krona": {
             "type": "boolean"
+        },
+        "krona_taxonomy_directory": {
+            "type": "string",
+            "default": null
         }
     }
 }

From 447b8f09057bbd994385ae4490e30c53d599e6b0 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 1 Jul 2022 17:21:19 +0200
Subject: [PATCH 266/789] Get fixed Krona module and add Krona taxonomy to test
 profile

---
 conf/test.config                                        | 1 +
 modules.json                                            | 2 +-
 modules/nf-core/modules/krona/ktimporttaxonomy/main.nf  | 9 ++++++---
 modules/nf-core/modules/krona/ktimporttaxonomy/meta.yml | 7 ++++---
 4 files changed, 12 insertions(+), 7 deletions(-)

diff --git a/conf/test.config b/conf/test.config
index 04dfb4d..375f463 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -38,6 +38,7 @@ params {
     run_centrifuge                        = true
     run_diamond                           = true
     run_krona                             = true
+    krona_taxonomy_directory              = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/sarscov2/metagenome/krona_taxonomy.tab'
     malt_save_reads                       = true
     kraken2_save_reads                    = true
     centrifuge_save_reads                 = true
diff --git a/modules.json b/modules.json
index 13c6592..b4c13f0 100644
--- a/modules.json
+++ b/modules.json
@@ -58,7 +58,7 @@
                 "git_sha": "8b2a473f586bed003e72d2b183acc43fc0ddc422"
             },
             "krona/ktimporttaxonomy": {
-                "git_sha": "233fa70811a03a4cecb2ece483b5c8396e2cee1d"
+                "git_sha": "0e9fd9370ad1845870b8a9c63fcc47d999a1739e"
             },
             "krona/ktimporttext": {
                 "git_sha": "cdefbec66999c0b49d8bfeea9d6f9d19056635a2"
diff --git a/modules/nf-core/modules/krona/ktimporttaxonomy/main.nf b/modules/nf-core/modules/krona/ktimporttaxonomy/main.nf
index 5ea9e9e..9b03462 100644
--- a/modules/nf-core/modules/krona/ktimporttaxonomy/main.nf
+++ b/modules/nf-core/modules/krona/ktimporttaxonomy/main.nf
@@ -10,7 +10,7 @@ process KRONA_KTIMPORTTAXONOMY {
 
     input:
     tuple val(meta), path(report)
-    path taxonomy
+    path taxonomy, stageAs: 'taxonomy.tab'
 
     output:
     tuple val(meta), path ('*.html'), emit: html
@@ -24,10 +24,13 @@ process KRONA_KTIMPORTTAXONOMY {
     def prefix = task.ext.prefix ?: "${meta.id}"
     def VERSION = '2.8' // WARN: Version information not provided by tool on CLI. Please update this string when bumping container versions.
     """
+    TAXONOMY=\$(find -L . -name '*.tab' -exec dirname {} \\;)
+    echo \$TAXONOMY
+
     ktImportTaxonomy \\
         $args \\
         -o ${prefix}.html \\
-        -tax $taxonomy \\
+        -tax \$TAXONOMY/ \\
         $report
 
     cat <<-END_VERSIONS > versions.yml
@@ -35,4 +38,4 @@ process KRONA_KTIMPORTTAXONOMY {
         krona: $VERSION
     END_VERSIONS
     """
-}
\ No newline at end of file
+}
diff --git a/modules/nf-core/modules/krona/ktimporttaxonomy/meta.yml b/modules/nf-core/modules/krona/ktimporttaxonomy/meta.yml
index df0ad1c..0fd7d5f 100644
--- a/modules/nf-core/modules/krona/ktimporttaxonomy/meta.yml
+++ b/modules/nf-core/modules/krona/ktimporttaxonomy/meta.yml
@@ -25,9 +25,10 @@ input:
   - database:
       type: file
       description: |
-        Path to the taxonomy database .tab file downloaded by krona/ktUpdateTaxonomy
-        The file will be saved under a folder named "taxonomy" as "taxonomy/taxonomy.tab".
-        The parent folder will be passed as argument to ktImportTaxonomy.
+        Path to a Krona taxonomy .tab file normally downloaded and generated by
+        krona/ktUpdateTaxonomy. Custom taxonomy files can have any name, but
+        must end in `.tab`.
+      pattern: "*tab"
   - report:
       type: file
       description: "A tab-delimited file with taxonomy IDs and (optionally) query IDs, magnitudes, and scores.  Query IDs are taken from column 1, taxonomy IDs from column 2, and scores from column 3.  Lines beginning with # will be ignored."

From a0ee82bf43ad79ef94b5b3a8e7f9dc72ae30e18a Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 12 Jul 2022 11:39:26 +0200
Subject: [PATCH 267/789] Add motus/merge and biom support

---
 conf/modules.config                           |  8 +++
 conf/test_motus.config                        |  1 +
 modules.json                                  |  5 +-
 modules/nf-core/modules/motus/merge/main.nf   | 47 +++++++++++++++
 modules/nf-core/modules/motus/merge/meta.yml  | 57 ++++++++++++++++++
 modules/nf-core/modules/motus/profile/main.nf |  2 +-
 nextflow.config                               |  4 ++
 nextflow_schema.json                          | 60 ++++++++++++++++---
 subworkflows/local/profiling.nf               |  1 +
 .../local/standardisation_profiles.nf         | 56 +++++++++++++++++
 subworkflows/local/visualization_krona.nf     |  4 +-
 workflows/taxprofiler.nf                      |  9 +++
 12 files changed, 241 insertions(+), 13 deletions(-)
 create mode 100644 modules/nf-core/modules/motus/merge/main.nf
 create mode 100644 modules/nf-core/modules/motus/merge/meta.yml
 create mode 100644 subworkflows/local/standardisation_profiles.nf

diff --git a/conf/modules.config b/conf/modules.config
index b858ec3..1558a98 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -391,12 +391,20 @@ process {
     }
 
     withName: MOTUS_PROFILE {
+        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
             path: { "${params.outdir}/motus/${meta.db_name}" },
             mode: params.publish_dir_mode
         ]
     }
 
+    withName: MOTUS_MERGE {
+        publishDir = [
+            path: { "${params.outdir}/motus/" },
+            mode: params.publish_dir_mode
+        ]
+    }
+
     withName: CUSTOM_DUMPSOFTWAREVERSIONS {
         publishDir = [
             path: { "${params.outdir}/pipeline_info" },
diff --git a/conf/test_motus.config b/conf/test_motus.config
index 9d39ad4..1405447 100644
--- a/conf/test_motus.config
+++ b/conf/test_motus.config
@@ -38,4 +38,5 @@ params {
     run_centrifuge                        = false
     run_diamond                           = false
     run_motus                             = true
+    run_profile_standardisation           = true
 }
diff --git a/modules.json b/modules.json
index 1d40748..f98cd62 100644
--- a/modules.json
+++ b/modules.json
@@ -78,8 +78,11 @@
             "minimap2/index": {
                 "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
             },
+            "motus/merge": {
+                "git_sha": "b02e648c221e1da17cb589eefe297e61ec9e9c49"
+            },
             "motus/profile": {
-                "git_sha": "6b960f0e75bbb4d5bd301cd3875fa078d0eab4d1"
+                "git_sha": "b02e648c221e1da17cb589eefe297e61ec9e9c49"
             },
             "multiqc": {
                 "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
diff --git a/modules/nf-core/modules/motus/merge/main.nf b/modules/nf-core/modules/motus/merge/main.nf
new file mode 100644
index 0000000..01ca5a2
--- /dev/null
+++ b/modules/nf-core/modules/motus/merge/main.nf
@@ -0,0 +1,47 @@
+VERSION = '3.0.1'
+
+process MOTUS_MERGE {
+    label 'process_low'
+
+    conda (params.enable_conda ? "bioconda::motus=3.0.1" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/motus:3.0.1--pyhdfd78af_0':
+        'quay.io/biocontainers/motus:3.0.1--pyhdfd78af_0' }"
+
+    input:
+    path input
+    path db // to stop docker saying it can't find it... would have to have the module in upstream steps anyway
+    path profile_version_yml, stageAs: 'profile_version.yml'
+    val biom_format
+
+    output:
+    path("*.txt") , optional: true, emit: txt
+    path("*.biom"), optional: true, emit: biom
+    path "versions.yml" , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def prefix = 'motus_merged'
+    def cmd_input = input.size() > 1 ? "-i ${input.join(',')}" : input.isDirectory() ? "-d ${input}" : "-i ${input}"
+    def output = biom_format ? "-B -o ${prefix}.biom" : "-o ${prefix}.txt"
+    """
+    motus \\
+        merge \\
+        -db $db \\
+        ${cmd_input} \\
+        $args \\
+        ${output}
+
+    ## Take version from the mOTUs/profile module output, as cannot reconstruct
+    ## version without having database staged in this directory.
+    VERSION=\$(cat ${profile_version_yml} | grep '/*motus:.*' | sed 's/.*otus: //g')
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        motus: \$VERSION
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/modules/motus/merge/meta.yml b/modules/nf-core/modules/motus/merge/meta.yml
new file mode 100644
index 0000000..c9c7711
--- /dev/null
+++ b/modules/nf-core/modules/motus/merge/meta.yml
@@ -0,0 +1,57 @@
+name: "motus_merge"
+description: Taxonomic meta-omics profiling using universal marker genes
+keywords:
+  - classify
+  - metagenomics
+  - fastq
+  - taxonomic profiling
+  - merging
+  - merge
+  - otu table
+tools:
+  - "motus":
+      description: "Marker gene-based OTU (mOTU) profiling"
+      homepage: "https://motu-tool.org/"
+      documentation: "https://github.com/motu-tool/mOTUs/wiki"
+      tool_dev_url: "https://github.com/motu-tool/mOTUs"
+      doi: "10.1038/s41467-019-08844-4"
+      licence: "['GPL v3']"
+
+input:
+  - input:
+      type: file
+      description: |
+        List of output files (more than one) from motus profile,
+        or a single directory containing motus output files.
+  - db:
+      type: directory
+      description: |
+        mOTUs database downloaded by `motus downloadDB`
+        pattern: "db_mOTU/"
+  - profile_version_yml:
+      type: file
+      description: |
+        A single versions.yml file output from motus/profile. motus/merge cannot reconstruct
+        this itself without having the motus database present and configured with the tool
+        so here we take it from what is already reported by the upstream module.
+      pattern: "versions.yml"
+  - biom_format:
+      type: boolean
+      description: Whether to save output OTU table in biom format
+
+output:
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+  - txt:
+      type: file
+      description: OTU table in txt format, if BIOM format not requested
+      pattern: "*.txt"
+  - biom:
+      type: file
+      description: OTU table in biom format, if BIOM format requested
+      pattern: "*.biom"
+
+authors:
+  - "@jfy133"
diff --git a/modules/nf-core/modules/motus/profile/main.nf b/modules/nf-core/modules/motus/profile/main.nf
index 6a1acd3..2747984 100644
--- a/modules/nf-core/modules/motus/profile/main.nf
+++ b/modules/nf-core/modules/motus/profile/main.nf
@@ -48,7 +48,7 @@ process MOTUS_PROFILE {
     fi
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":
-        mOTUs: \$VERSION
+        motus: \$VERSION
     END_VERSIONS
     """
 }
diff --git a/nextflow.config b/nextflow.config
index 7160d0f..58c9254 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -132,6 +132,10 @@ params {
     // krona
     run_krona                  = false
     krona_taxonomy_directory   = null
+
+    // profile standardisation
+    run_profile_standardisation = false
+    generate_biom_output                 = false
 }
 
 // Load base.config by default for all pipelines
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 4eec889..28050ba 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,7 +10,10 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["input", "outdir"],
+            "required": [
+                "input",
+                "outdir"
+            ],
             "properties": {
                 "input": {
                     "type": "string",
@@ -52,7 +55,8 @@
                     "type": "string",
                     "description": "Name of iGenomes reference.",
                     "fa_icon": "fas fa-book",
-                    "help_text": "If using a reference genome configured in the pipeline using iGenomes, use this parameter to give the ID for the reference. This is then used to build the full paths for all required reference genome files e.g. `--genome GRCh38`. \n\nSee the [nf-core website docs](https://nf-co.re/usage/reference_genomes) for more details."
+                    "help_text": "If using a reference genome configured in the pipeline using iGenomes, use this parameter to give the ID for the reference. This is then used to build the full paths for all required reference genome files e.g. `--genome GRCh38`. \n\nSee the [nf-core website docs](https://nf-co.re/usage/reference_genomes) for more details.",
+                    "hidden": true
                 },
                 "igenomes_base": {
                     "type": "string",
@@ -173,7 +177,14 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
+                    "enum": [
+                        "symlink",
+                        "rellink",
+                        "link",
+                        "copy",
+                        "copyNoFollow",
+                        "move"
+                    ],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -287,7 +298,10 @@
         "shortread_qc_tool": {
             "type": "string",
             "default": "fastp",
-            "enum": ["fastp", "adapterremoval"]
+            "enum": [
+                "fastp",
+                "adapterremoval"
+            ]
         },
         "shortread_qc_skipadaptertrim": {
             "type": "boolean"
@@ -313,7 +327,11 @@
         "shortread_complexityfilter_tool": {
             "type": "string",
             "default": "bbduk",
-            "enum": ["bbduk", "prinseqplusplus", "fastp"]
+            "enum": [
+                "bbduk",
+                "prinseqplusplus",
+                "fastp"
+            ]
         },
         "shortread_complexityfilter_bbduk_windowsize": {
             "type": "integer",
@@ -329,7 +347,10 @@
         "shortread_complexityfilter_prinseqplusplus_mode": {
             "type": "string",
             "default": "entropy",
-            "enum": ["entropy", "dust"]
+            "enum": [
+                "entropy",
+                "dust"
+            ]
         },
         "shortread_complexityfilter_prinseqplusplus_dustscore": {
             "type": "number",
@@ -385,7 +406,14 @@
         "kaiju_taxon_name": {
             "type": "string",
             "default": "species",
-            "enum": ["phylum", "class", "order", "family", "genus", "species"]
+            "enum": [
+                "phylum",
+                "class",
+                "order",
+                "family",
+                "genus",
+                "species"
+            ]
         },
         "run_diamond": {
             "type": "boolean"
@@ -393,7 +421,15 @@
         "diamond_output_format": {
             "type": "string",
             "default": "tsv",
-            "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"]
+            "enum": [
+                "blast",
+                "xml",
+                "txt",
+                "daa",
+                "sam",
+                "tsv",
+                "paf"
+            ]
         },
         "longread_hostremoval_index": {
             "type": "string",
@@ -444,7 +480,13 @@
         },
         "krona_taxonomy_directory": {
             "type": "string",
-            "default": null
+            "default": "None"
+        },
+        "run_profile_standardisation": {
+            "type": "boolean"
+        },
+        "generate_biom_output": {
+            "type": "boolean"
         }
     }
 }
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 60963c9..68f8dcc 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -234,5 +234,6 @@ workflow PROFILING {
     classifications = ch_raw_classifications
     profiles        = ch_raw_profiles    // channel: [ val(meta), [ reads ] ] - should be text files or biom
     versions        = ch_versions          // channel: [ versions.yml ]
+    motu_version    = MOTUS_PROFILE.out.versions.first()
     mqc             = ch_multiqc_files
 }
diff --git a/subworkflows/local/standardisation_profiles.nf b/subworkflows/local/standardisation_profiles.nf
new file mode 100644
index 0000000..92ceb16
--- /dev/null
+++ b/subworkflows/local/standardisation_profiles.nf
@@ -0,0 +1,56 @@
+//
+// Create Krona visualizations
+//
+
+include { MOTUS_MERGE } from '../../modules/nf-core/modules/motus/merge/main'
+
+workflow STANDARDISATION_PROFILES {
+    take:
+    classifications
+    profiles
+    databases
+    motu_version
+
+    main:
+    ch_standardised_tables = Channel.empty()
+    ch_versions            = Channel.empty()
+
+    /*
+        Split profile results based on tool they come from
+    */
+    ch_input_profiles = profiles
+        .branch {
+            motus: it[0]['tool'] == 'motus'
+            unknown: true
+        }
+
+    ch_input_classifications = classifications
+        .branch {
+            unknown: true
+        }
+
+    ch_input_databases = databases
+        .branch {
+            motus: it[0]['tool'] == 'motus'
+            unknown: true
+        }
+
+    /*
+        Standardise and aggregate
+    */
+
+    // mOTUs has a 'single' database, and cannot create custom ones.
+    // Therefore removing db info here, and publish merged at root mOTUs results
+    // directory
+    MOTUS_MERGE ( ch_input_profiles.motus.map{it[1]}.collect(), ch_input_databases.motus.map{it[1]}, motu_version, params.generate_biom_output )
+    if ( params.generate_biom_output ) {
+        ch_standardised_tables = ch_standardised_tables.mix ( MOTUS_MERGE.out.biom )
+    } else {
+        ch_standardised_tables = ch_standardised_tables.mix ( MOTUS_MERGE.out.txt )
+    }
+    ch_versions = ch_versions.mix( MOTUS_MERGE.out.versions )
+
+    emit:
+    tables = ch_standardised_tables
+    versions = ch_versions
+}
diff --git a/subworkflows/local/visualization_krona.nf b/subworkflows/local/visualization_krona.nf
index 7a94fc6..397251f 100644
--- a/subworkflows/local/visualization_krona.nf
+++ b/subworkflows/local/visualization_krona.nf
@@ -78,7 +78,7 @@ workflow VISUALIZATION_KRONA {
     ch_krona_text_for_import = ch_cleaned_krona_text
         .map{[[id: it[0]['db_name'], tool: it[0]['tool']], it[1]]}
         .groupTuple()
-        .dump(tag: "text")
+
     KRONA_KTIMPORTTEXT( ch_krona_text_for_import )
     ch_krona_html = ch_krona_html.mix( KRONA_KTIMPORTTEXT.out.html )
     ch_versions = ch_versions.mix( KRONA_KTIMPORTTEXT.out.versions.first() )
@@ -92,7 +92,7 @@ workflow VISUALIZATION_KRONA {
         ch_krona_taxonomy_for_input = GUNZIP.out.gunzip
             .map{[[id: it[0]['db_name'], tool: it[0]['tool']], it[1]]}
             .groupTuple()
-            .dump(tag: "taxonomy")
+
         KRONA_KTIMPORTTAXONOMY ( ch_krona_taxonomy_for_input, file(params.krona_taxonomy_directory, checkExists: true) )
         ch_krona_html.mix( KRONA_KTIMPORTTAXONOMY.out.html )
         ch_versions = ch_versions.mix( MEGAN_RMA2INFO.out.versions.first() )
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 2037649..e382e05 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -65,6 +65,7 @@ include { LONGREAD_HOSTREMOVAL          } from '../subworkflows/local/longread_h
 include { SHORTREAD_COMPLEXITYFILTERING } from '../subworkflows/local/shortread_complexityfiltering'
 include { PROFILING                     } from '../subworkflows/local/profiling'
 include { VISUALIZATION_KRONA           } from '../subworkflows/local/visualization_krona'
+include { STANDARDISATION_PROFILES      } from '../subworkflows/local/standardisation_profiles'
 
 /*
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
@@ -220,6 +221,14 @@ workflow TAXPROFILER {
         ch_versions = ch_versions.mix( VISUALIZATION_KRONA.out.versions )
     }
 
+    /*
+        SUBWORKFLOW: PROFILING STANDARDISATION
+    */
+    if ( params.run_profile_standardisation ) {
+        STANDARDISATION_PROFILES ( PROFILING.out.classifications, PROFILING.out.profiles, DB_CHECK.out.dbs, PROFILING.out.motu_version )
+        ch_versions = ch_versions.mix( STANDARDISATION_PROFILES.out.versions )
+    }
+
     /*
         MODULE: MultiQC
     */

From d8c0e9e7fe6ac0f077754017ea41ce11a43cd01e Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 12 Jul 2022 11:41:07 +0200
Subject: [PATCH 268/789] Prettier

---
 nextflow_schema.json | 49 +++++++-------------------------------------
 1 file changed, 7 insertions(+), 42 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 28050ba..b4cb837 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,10 +10,7 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": [
-                "input",
-                "outdir"
-            ],
+            "required": ["input", "outdir"],
             "properties": {
                 "input": {
                     "type": "string",
@@ -177,14 +174,7 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": [
-                        "symlink",
-                        "rellink",
-                        "link",
-                        "copy",
-                        "copyNoFollow",
-                        "move"
-                    ],
+                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -298,10 +288,7 @@
         "shortread_qc_tool": {
             "type": "string",
             "default": "fastp",
-            "enum": [
-                "fastp",
-                "adapterremoval"
-            ]
+            "enum": ["fastp", "adapterremoval"]
         },
         "shortread_qc_skipadaptertrim": {
             "type": "boolean"
@@ -327,11 +314,7 @@
         "shortread_complexityfilter_tool": {
             "type": "string",
             "default": "bbduk",
-            "enum": [
-                "bbduk",
-                "prinseqplusplus",
-                "fastp"
-            ]
+            "enum": ["bbduk", "prinseqplusplus", "fastp"]
         },
         "shortread_complexityfilter_bbduk_windowsize": {
             "type": "integer",
@@ -347,10 +330,7 @@
         "shortread_complexityfilter_prinseqplusplus_mode": {
             "type": "string",
             "default": "entropy",
-            "enum": [
-                "entropy",
-                "dust"
-            ]
+            "enum": ["entropy", "dust"]
         },
         "shortread_complexityfilter_prinseqplusplus_dustscore": {
             "type": "number",
@@ -406,14 +386,7 @@
         "kaiju_taxon_name": {
             "type": "string",
             "default": "species",
-            "enum": [
-                "phylum",
-                "class",
-                "order",
-                "family",
-                "genus",
-                "species"
-            ]
+            "enum": ["phylum", "class", "order", "family", "genus", "species"]
         },
         "run_diamond": {
             "type": "boolean"
@@ -421,15 +394,7 @@
         "diamond_output_format": {
             "type": "string",
             "default": "tsv",
-            "enum": [
-                "blast",
-                "xml",
-                "txt",
-                "daa",
-                "sam",
-                "tsv",
-                "paf"
-            ]
+            "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"]
         },
         "longread_hostremoval_index": {
             "type": "string",

From 4a316df2093a2cecc9b482d3502ce54d9147bb77 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Tue, 12 Jul 2022 17:15:36 +0200
Subject: [PATCH 269/789] Update the dev branch with the filtlong update

---
 modules/nf-core/modules/filtlong/main.nf  | 4 +++-
 modules/nf-core/modules/filtlong/meta.yml | 5 +++++
 2 files changed, 8 insertions(+), 1 deletion(-)

diff --git a/modules/nf-core/modules/filtlong/main.nf b/modules/nf-core/modules/filtlong/main.nf
index 9dbf05b..afaa938 100644
--- a/modules/nf-core/modules/filtlong/main.nf
+++ b/modules/nf-core/modules/filtlong/main.nf
@@ -12,7 +12,8 @@ process FILTLONG {
 
     output:
     tuple val(meta), path("*.fastq.gz"), emit: reads
-    path "versions.yml"                                     , emit: versions
+    tuple val(meta), path("*.log")     , emit: log
+    path "versions.yml"                 , emit: versions
 
     when:
     task.ext.when == null || task.ext.when
@@ -27,6 +28,7 @@ process FILTLONG {
         $short_reads \\
         $args \\
         $longreads \\
+        2> ${prefix}.log \\
         | gzip -n > ${prefix}.fastq.gz
 
     cat <<-END_VERSIONS > versions.yml
diff --git a/modules/nf-core/modules/filtlong/meta.yml b/modules/nf-core/modules/filtlong/meta.yml
index b3626e6..a50b452 100644
--- a/modules/nf-core/modules/filtlong/meta.yml
+++ b/modules/nf-core/modules/filtlong/meta.yml
@@ -45,6 +45,11 @@ output:
       type: file
       description: Filtered (compressed) fastq file
       pattern: "*.fastq.gz"
+  - log:
+      type: file
+      description: Standard error logging file containing summary statistics
+      pattern: "*.log"
 
 authors:
   - "@d4straub"
+  - "@sofstam"

From 1fbe241d27d9fe41c0bd12b5b3591d97bcb7a2e5 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Tue, 12 Jul 2022 17:43:52 +0200
Subject: [PATCH 270/789] Update filtlong module

---
 modules.json | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules.json b/modules.json
index 1d40748..487b76c 100644
--- a/modules.json
+++ b/modules.json
@@ -37,7 +37,7 @@
                 "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
             },
             "filtlong": {
-                "git_sha": "089f761f0bf79c4a486f1df9b6205f650196a2c1"
+                "git_sha": "957cb9b83668075f4af101fc99502908cca487e3"
             },
             "gunzip": {
                 "git_sha": "9aadd9a6d3f5964476582319b3a1c54a3e3fe7c9"

From c22946cfabbd3acc0228026e82475ffb0ad1ffc6 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 13 Jul 2022 12:36:29 +0200
Subject: [PATCH 271/789] Fix motu versions not being exported if not run

---
 subworkflows/local/profiling.nf | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 68f8dcc..ed61f4b 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -227,13 +227,12 @@ workflow PROFILING {
         MOTUS_PROFILE ( ch_input_for_motus.reads, ch_input_for_motus.db )
         ch_versions        = ch_versions.mix( MOTUS_PROFILE.out.versions.first() )
         ch_raw_profiles    = ch_raw_profiles.mix( MOTUS_PROFILE.out.out )
-
     }
 
     emit:
     classifications = ch_raw_classifications
     profiles        = ch_raw_profiles    // channel: [ val(meta), [ reads ] ] - should be text files or biom
     versions        = ch_versions          // channel: [ versions.yml ]
-    motu_version    = MOTUS_PROFILE.out.versions.first()
+    motu_version    = params.run_motus ? MOTUS_PROFILE.out.versions.first() : Channel.empty([])
     mqc             = ch_multiqc_files
 }

From eaa69b65d81b6ede5f0afca7d8f24a56b025ff08 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 13 Jul 2022 12:38:30 +0200
Subject: [PATCH 272/789] Update mOTUs profile module and mix log for multiqc

---
 modules.json                                   | 2 +-
 modules/nf-core/modules/motus/profile/main.nf  | 6 ++++--
 modules/nf-core/modules/motus/profile/meta.yml | 4 ++++
 subworkflows/local/profiling.nf                | 1 +
 4 files changed, 10 insertions(+), 3 deletions(-)

diff --git a/modules.json b/modules.json
index 1d40748..faa267d 100644
--- a/modules.json
+++ b/modules.json
@@ -79,7 +79,7 @@
                 "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
             },
             "motus/profile": {
-                "git_sha": "6b960f0e75bbb4d5bd301cd3875fa078d0eab4d1"
+                "git_sha": "b6ed584443ad68ac41e6975994139454a4f23c18"
             },
             "multiqc": {
                 "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
diff --git a/modules/nf-core/modules/motus/profile/main.nf b/modules/nf-core/modules/motus/profile/main.nf
index 6a1acd3..bd7a127 100644
--- a/modules/nf-core/modules/motus/profile/main.nf
+++ b/modules/nf-core/modules/motus/profile/main.nf
@@ -15,6 +15,7 @@ process MOTUS_PROFILE {
     tuple val(meta), path("*.out"), emit: out
     tuple val(meta), path("*.bam"), optional: true, emit: bam
     tuple val(meta), path("*.mgc"), optional: true, emit: mgc
+    tuple val(meta), path("*.log")                , emit: log
     path "versions.yml"           , emit: versions
 
     when:
@@ -36,7 +37,8 @@ process MOTUS_PROFILE {
         $refdb \\
         -t $task.cpus \\
         -n $prefix \\
-        -o ${prefix}.out
+        -o ${prefix}.out \\
+        2> ${prefix}.log
 
     ## mOTUs version number is not available from command line.
     ## mOTUs save the version number in index database folder.
@@ -48,7 +50,7 @@ process MOTUS_PROFILE {
     fi
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":
-        mOTUs: \$VERSION
+        motus: \$VERSION
     END_VERSIONS
     """
 }
diff --git a/modules/nf-core/modules/motus/profile/meta.yml b/modules/nf-core/modules/motus/profile/meta.yml
index 19803bd..3c3b660 100644
--- a/modules/nf-core/modules/motus/profile/meta.yml
+++ b/modules/nf-core/modules/motus/profile/meta.yml
@@ -56,6 +56,10 @@ output:
       type: file
       description: Optional intermediate mgc read count table file saved with `-M`.
       pattern: "*.{mgc}"
+  - log:
+      type: file
+      description: Standard error logging file containing summary statistics
+      pattern: "*.log"
 
 authors:
   - "@jianhong"
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 60963c9..0de726b 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -227,6 +227,7 @@ workflow PROFILING {
         MOTUS_PROFILE ( ch_input_for_motus.reads, ch_input_for_motus.db )
         ch_versions        = ch_versions.mix( MOTUS_PROFILE.out.versions.first() )
         ch_raw_profiles    = ch_raw_profiles.mix( MOTUS_PROFILE.out.out )
+        ch_multiqc_files   = ch_multiqc_files.mix( MOTUS_PROFILE.out.log )
 
     }
 

From 13280e246855e159e90e5992fc47da52ccac4e5b Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 13 Jul 2022 12:44:44 +0200
Subject: [PATCH 273/789] Fix .empty

---
 subworkflows/local/profiling.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index ed61f4b..d23ee11 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -233,6 +233,6 @@ workflow PROFILING {
     classifications = ch_raw_classifications
     profiles        = ch_raw_profiles    // channel: [ val(meta), [ reads ] ] - should be text files or biom
     versions        = ch_versions          // channel: [ versions.yml ]
-    motu_version    = params.run_motus ? MOTUS_PROFILE.out.versions.first() : Channel.empty([])
+    motu_version    = params.run_motus ? MOTUS_PROFILE.out.versions.first() : Channel.empty()
     mqc             = ch_multiqc_files
 }

From 31119f83c23622783cb647577afffbdfb4f8153b Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 13 Jul 2022 14:29:47 +0200
Subject: [PATCH 274/789] Send to MQC only the log file not the meta

---
 subworkflows/local/profiling.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 0de726b..38bc9a8 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -227,7 +227,7 @@ workflow PROFILING {
         MOTUS_PROFILE ( ch_input_for_motus.reads, ch_input_for_motus.db )
         ch_versions        = ch_versions.mix( MOTUS_PROFILE.out.versions.first() )
         ch_raw_profiles    = ch_raw_profiles.mix( MOTUS_PROFILE.out.out )
-        ch_multiqc_files   = ch_multiqc_files.mix( MOTUS_PROFILE.out.log )
+        ch_multiqc_files   = ch_multiqc_files.mix( MOTUS_PROFILE.out.log.map{it[1]} )
 
     }
 

From 449b6a55537e85e1be45461609c8d9c0fda44bd0 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 13 Jul 2022 15:25:58 +0200
Subject: [PATCH 275/789] Fix file name output clashing wiht multiqc

---
 conf/modules.config | 1 +
 1 file changed, 1 insertion(+)

diff --git a/conf/modules.config b/conf/modules.config
index b858ec3..df90c38 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -391,6 +391,7 @@ process {
     }
 
     withName: MOTUS_PROFILE {
+        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
             path: { "${params.outdir}/motus/${meta.db_name}" },
             mode: params.publish_dir_mode

From cc3967a3fd0af46000b362e217d7ba3c68707cbe Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Fri, 15 Jul 2022 10:51:41 +0200
Subject: [PATCH 276/789] Apply suggestions from code review

---
 subworkflows/local/profiling.nf | 2 +-
 workflows/taxprofiler.nf        | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index d23ee11..87a6a98 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -233,6 +233,6 @@ workflow PROFILING {
     classifications = ch_raw_classifications
     profiles        = ch_raw_profiles    // channel: [ val(meta), [ reads ] ] - should be text files or biom
     versions        = ch_versions          // channel: [ versions.yml ]
-    motu_version    = params.run_motus ? MOTUS_PROFILE.out.versions.first() : Channel.empty()
+    motus_version    = params.run_motus ? MOTUS_PROFILE.out.versions.first() : Channel.empty()
     mqc             = ch_multiqc_files
 }
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index e382e05..85a3a51 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -225,7 +225,7 @@ workflow TAXPROFILER {
         SUBWORKFLOW: PROFILING STANDARDISATION
     */
     if ( params.run_profile_standardisation ) {
-        STANDARDISATION_PROFILES ( PROFILING.out.classifications, PROFILING.out.profiles, DB_CHECK.out.dbs, PROFILING.out.motu_version )
+        STANDARDISATION_PROFILES ( PROFILING.out.classifications, PROFILING.out.profiles, DB_CHECK.out.dbs, PROFILING.out.motus_version )
         ch_versions = ch_versions.mix( STANDARDISATION_PROFILES.out.versions )
     }
 

From d83c747533e4bb916622c2066d2c2fa258d4c7cc Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 15 Jul 2022 12:38:20 +0200
Subject: [PATCH 277/789] Fix modules JSON

---
 modules.json | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules.json b/modules.json
index f98cd62..132ff8b 100644
--- a/modules.json
+++ b/modules.json
@@ -82,7 +82,7 @@
                 "git_sha": "b02e648c221e1da17cb589eefe297e61ec9e9c49"
             },
             "motus/profile": {
-                "git_sha": "b02e648c221e1da17cb589eefe297e61ec9e9c49"
+                "git_sha": "b6ed584443ad68ac41e6975994139454a4f23c18"
             },
             "multiqc": {
                 "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"

From 5a2fd260fd6551854006c5f23da21bedb068ef9f Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Fri, 15 Jul 2022 12:50:50 +0200
Subject: [PATCH 278/789] Log file into multiqc channel

---
 subworkflows/local/longread_preprocessing.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf
index 6a23b0e..08d366d 100644
--- a/subworkflows/local/longread_preprocessing.nf
+++ b/subworkflows/local/longread_preprocessing.nf
@@ -49,7 +49,7 @@ workflow LONGREAD_PREPROCESSING {
     }
 
     FASTQC_PROCESSED ( ch_processed_reads )
-    ch_multiqc_files = ch_multiqc_files.mix( FASTQC_PROCESSED.out.zip )
+    ch_multiqc_files = ch_multiqc_files.mix( FASTQC_PROCESSED.out.zip, FILTLONG.out.log )
 
     emit:
     reads    = ch_processed_reads   // channel: [ val(meta), [ reads ] ]

From 035b4b7a1745efccf61513348da54e41c809dc7a Mon Sep 17 00:00:00 2001
From: mjamy <mahwashjamy@gmail.com>
Date: Fri, 15 Jul 2022 16:28:07 +0200
Subject: [PATCH 279/789] Update the dev branch with the DIAMOND module update

---
 modules.json                                    | 2 +-
 modules/nf-core/modules/diamond/blastx/main.nf  | 6 +++++-
 modules/nf-core/modules/diamond/blastx/meta.yml | 5 +++++
 3 files changed, 11 insertions(+), 2 deletions(-)

diff --git a/modules.json b/modules.json
index faa267d..2b0d5c0 100644
--- a/modules.json
+++ b/modules.json
@@ -28,7 +28,7 @@
                 "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
             },
             "diamond/blastx": {
-                "git_sha": "bd3bfe0817246082525ab93707976676b1fe208b"
+                "git_sha": "3531824af826c16cd252bc5aa82ae169b244ebaa"
             },
             "fastp": {
                 "git_sha": "d0a1cbb703a130c19f6796c3fce24fbe7dfce789"
diff --git a/modules/nf-core/modules/diamond/blastx/main.nf b/modules/nf-core/modules/diamond/blastx/main.nf
index d327227..1f4ff25 100644
--- a/modules/nf-core/modules/diamond/blastx/main.nf
+++ b/modules/nf-core/modules/diamond/blastx/main.nf
@@ -21,6 +21,7 @@ process DIAMOND_BLASTX {
     tuple val(meta), path('*.sam')  , optional: true, emit: sam
     tuple val(meta), path('*.tsv')  , optional: true, emit: tsv
     tuple val(meta), path('*.paf')  , optional: true, emit: paf
+    tuple val(meta), path("*.log")                  , emit: log
     path "versions.yml"                               , emit: versions
 
     when:
@@ -54,7 +55,10 @@ process DIAMOND_BLASTX {
         --query $fasta \\
         --outfmt ${outfmt} ${columns} \\
         $args \\
-        --out ${prefix}.${out_ext}
+        --out ${prefix}.${out_ext} \\
+        --log
+
+    mv diamond.log ${prefix}.log
 
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":
diff --git a/modules/nf-core/modules/diamond/blastx/meta.yml b/modules/nf-core/modules/diamond/blastx/meta.yml
index 2dcd7bc..327b893 100644
--- a/modules/nf-core/modules/diamond/blastx/meta.yml
+++ b/modules/nf-core/modules/diamond/blastx/meta.yml
@@ -70,7 +70,12 @@ output:
       type: file
       description: File containing software versions
       pattern: "versions.yml"
+  - log:
+      type: file
+      description: Log file containing stdout information
+      pattern: "*.{log}"
 
 authors:
   - "@spficklin"
   - "@jfy133"
+  - "@mjamy"

From 33a5402b255a7cf82491b1169e4fcfcaaa947fce Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 19 Jul 2022 13:50:39 +0200
Subject: [PATCH 280/789] Add emitting porechop logs to multiqc and fix
 collection of others

---
 .../nf-core-taxprofiler_icon_border.svg       | 445 ++++++++++++++++++
 .../nf_core_taxprofiler_icon_border.png       | Bin 0 -> 142407 bytes
 modules.json                                  |   2 +-
 modules/nf-core/modules/porechop/main.nf      |   4 +-
 modules/nf-core/modules/porechop/meta.yml     |   5 +
 subworkflows/local/longread_preprocessing.nf  |   5 +-
 subworkflows/local/profiling.nf               |   2 +-
 7 files changed, 459 insertions(+), 4 deletions(-)
 create mode 100644 docs/images/nf-core-taxprofiler_icon_border.svg
 create mode 100644 docs/images/nf_core_taxprofiler_icon_border.png

diff --git a/docs/images/nf-core-taxprofiler_icon_border.svg b/docs/images/nf-core-taxprofiler_icon_border.svg
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literal 0
HcmV?d00001

diff --git a/modules.json b/modules.json
index 132ff8b..c7d7590 100644
--- a/modules.json
+++ b/modules.json
@@ -88,7 +88,7 @@
                 "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
             },
             "porechop": {
-                "git_sha": "e20e57f90b6787ac9a010a980cf6ea98bd990046"
+                "git_sha": "b78e19b9dae3671db2c7d4346fe04452c1debfab"
             },
             "prinseqplusplus": {
                 "git_sha": "f1c5384c31e985591716afdd732cf8c2ae29d05b"
diff --git a/modules/nf-core/modules/porechop/main.nf b/modules/nf-core/modules/porechop/main.nf
index 65982b8..77050bc 100644
--- a/modules/nf-core/modules/porechop/main.nf
+++ b/modules/nf-core/modules/porechop/main.nf
@@ -12,6 +12,7 @@ process PORECHOP {
 
     output:
     tuple val(meta), path("*.fastq.gz"), emit: reads
+    tuple val(meta), path("*.log")     , emit: log
     path "versions.yml"                , emit: versions
 
     when:
@@ -25,7 +26,8 @@ process PORECHOP {
         -i $reads \\
         -t $task.cpus \\
         $args \\
-        -o ${prefix}.fastq.gz
+        -o ${prefix}.fastq.gz \\
+        > ${prefix}.log
 
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":
diff --git a/modules/nf-core/modules/porechop/meta.yml b/modules/nf-core/modules/porechop/meta.yml
index 81399d2..e526317 100644
--- a/modules/nf-core/modules/porechop/meta.yml
+++ b/modules/nf-core/modules/porechop/meta.yml
@@ -38,6 +38,10 @@ output:
       type: file
       description: Demultiplexed and/or adapter-trimmed fastq.gz file
       pattern: "*.{fastq.gz}"
+  - log:
+      type: file
+      description: Log file containing stdout information
+      pattern: "*.log"
 
 authors:
   - "@ggabernet"
@@ -48,3 +52,4 @@ authors:
   - "@jonasscheid"
   - "@jonoave"
   - "@GokceOGUZ"
+  - "@jfy133"
diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf
index 6a23b0e..2de3617 100644
--- a/subworkflows/local/longread_preprocessing.nf
+++ b/subworkflows/local/longread_preprocessing.nf
@@ -23,9 +23,11 @@ workflow LONGREAD_PREPROCESSING {
                                                 def meta_new = meta.clone()
                                                 meta_new['single_end'] = 1
                                                 [ meta_new, reads ]
+                                        }
 
         ch_versions = ch_versions.mix(PORECHOP.out.versions.first())
-                                            }
+        ch_multiqc_files = ch_multiqc_files.mix( PORECHOP.out.log.collect{it[1]}.ifEmpty([]) )
+
     } else if ( !params.longread_qc_run_clip && params.longread_qc_run_filter ) {
 
         ch_processed_reads = FILTLONG ( reads.map{ meta, reads -> [meta, [], reads ]} )
@@ -45,6 +47,7 @@ workflow LONGREAD_PREPROCESSING {
 
         ch_versions = ch_versions.mix(PORECHOP.out.versions.first())
         ch_versions = ch_versions.mix(FILTLONG.out.versions.first())
+        ch_multiqc_files = ch_multiqc_files.mix( PORECHOP.out.log.collect{it[1]}.ifEmpty([]) )
 
     }
 
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 7c2c90c..39b6cb0 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -227,7 +227,7 @@ workflow PROFILING {
         MOTUS_PROFILE ( ch_input_for_motus.reads, ch_input_for_motus.db )
         ch_versions        = ch_versions.mix( MOTUS_PROFILE.out.versions.first() )
         ch_raw_profiles    = ch_raw_profiles.mix( MOTUS_PROFILE.out.out )
-        ch_multiqc_files   = ch_multiqc_files.mix( MOTUS_PROFILE.out.log.map{it[1]} )
+        ch_multiqc_files   = ch_multiqc_files.mix( MOTUS_PROFILE.out.log.collect{it[1]}.ifEmpty([]) )
     }
 
     emit:

From 1ba6a08135dad689f11a182376f8a19b4de73b42 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Tue, 19 Jul 2022 13:53:29 +0200
Subject: [PATCH 281/789] Seperate multiqc for filtlong

---
 subworkflows/local/longread_preprocessing.nf | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf
index 08d366d..27e5e37 100644
--- a/subworkflows/local/longread_preprocessing.nf
+++ b/subworkflows/local/longread_preprocessing.nf
@@ -49,7 +49,8 @@ workflow LONGREAD_PREPROCESSING {
     }
 
     FASTQC_PROCESSED ( ch_processed_reads )
-    ch_multiqc_files = ch_multiqc_files.mix( FASTQC_PROCESSED.out.zip, FILTLONG.out.log )
+    ch_multiqc_files = ch_multiqc_files.mix( FASTQC_PROCESSED.out.zip )
+    ch_multiqc_files = ch_multiqc_files.mix( FILTLONG.out.log.collect{it[1]}.ifEmpty([])) 
 
     emit:
     reads    = ch_processed_reads   // channel: [ val(meta), [ reads ] ]

From 526ed797639ae275874f972e17511e21d76d425f Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Tue, 19 Jul 2022 14:01:11 +0200
Subject: [PATCH 282/789] Fix filtlong logs

---
 subworkflows/local/longread_preprocessing.nf | 9 +++++----
 1 file changed, 5 insertions(+), 4 deletions(-)

diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf
index 27e5e37..ccdbeb2 100644
--- a/subworkflows/local/longread_preprocessing.nf
+++ b/subworkflows/local/longread_preprocessing.nf
@@ -12,7 +12,7 @@ workflow LONGREAD_PREPROCESSING {
 
     main:
     ch_versions      = Channel.empty()
-    ch_multiqc_files = Channel.empty()
+     = Channel.empty()
 
     if ( params.longread_qc_run_clip && !params.longread_qc_run_filter ) {
         PORECHOP ( reads )
@@ -30,6 +30,7 @@ workflow LONGREAD_PREPROCESSING {
 
         ch_processed_reads = FILTLONG ( reads.map{ meta, reads -> [meta, [], reads ]} )
         ch_versions = ch_versions.mix(FILTLONG.out.versions.first())
+        ch_multiqc_files = .mix( FILTLONG.out.log.collect{it[1]}.ifEmpty([]))
 
     } else {
         PORECHOP ( reads )
@@ -45,16 +46,16 @@ workflow LONGREAD_PREPROCESSING {
 
         ch_versions = ch_versions.mix(PORECHOP.out.versions.first())
         ch_versions = ch_versions.mix(FILTLONG.out.versions.first())
+        ch_multiqc_files = ch_multiqc_files.mix( FILTLONG.out.log.collect{it[1]}.ifEmpty([]))
 
     }
 
     FASTQC_PROCESSED ( ch_processed_reads )
-    ch_multiqc_files = ch_multiqc_files.mix( FASTQC_PROCESSED.out.zip )
-    ch_multiqc_files = ch_multiqc_files.mix( FILTLONG.out.log.collect{it[1]}.ifEmpty([])) 
+     = .mix( FASTQC_PROCESSED.out.zip )
 
     emit:
     reads    = ch_processed_reads   // channel: [ val(meta), [ reads ] ]
     versions = ch_versions          // channel: [ versions.yml ]
-    mqc      = ch_multiqc_files
+    mqc      =
 }
 

From 8147dba0b49129eaff62954a26a2c355e7baab0f Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Tue, 19 Jul 2022 14:03:10 +0200
Subject: [PATCH 283/789] Fix typos

---
 subworkflows/local/longread_preprocessing.nf | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf
index ccdbeb2..aaec456 100644
--- a/subworkflows/local/longread_preprocessing.nf
+++ b/subworkflows/local/longread_preprocessing.nf
@@ -12,7 +12,7 @@ workflow LONGREAD_PREPROCESSING {
 
     main:
     ch_versions      = Channel.empty()
-     = Channel.empty()
+    ch_multiqc_files = Channel.empty()
 
     if ( params.longread_qc_run_clip && !params.longread_qc_run_filter ) {
         PORECHOP ( reads )
@@ -30,7 +30,7 @@ workflow LONGREAD_PREPROCESSING {
 
         ch_processed_reads = FILTLONG ( reads.map{ meta, reads -> [meta, [], reads ]} )
         ch_versions = ch_versions.mix(FILTLONG.out.versions.first())
-        ch_multiqc_files = .mix( FILTLONG.out.log.collect{it[1]}.ifEmpty([]))
+        ch_multiqc_files = ch_multiqc_files.mix( FILTLONG.out.log.collect{it[1]}.ifEmpty([]))
 
     } else {
         PORECHOP ( reads )

From 25bc01f9c4aaa4e46e5e0ddf08e311ebd31154ee Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Tue, 19 Jul 2022 14:04:49 +0200
Subject: [PATCH 284/789] Fix typos

---
 subworkflows/local/longread_preprocessing.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf
index aaec456..7dca57d 100644
--- a/subworkflows/local/longread_preprocessing.nf
+++ b/subworkflows/local/longread_preprocessing.nf
@@ -51,7 +51,7 @@ workflow LONGREAD_PREPROCESSING {
     }
 
     FASTQC_PROCESSED ( ch_processed_reads )
-     = .mix( FASTQC_PROCESSED.out.zip )
+    ch_multiqc_files = ch_multiqc_files.mix( FASTQC_PROCESSED.out.zip )
 
     emit:
     reads    = ch_processed_reads   // channel: [ val(meta), [ reads ] ]

From 171258d545731feaa38aebd0868d65cf917fbfb9 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Tue, 19 Jul 2022 14:07:13 +0200
Subject: [PATCH 285/789] Fix typos

---
 subworkflows/local/longread_preprocessing.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf
index 7dca57d..a68d447 100644
--- a/subworkflows/local/longread_preprocessing.nf
+++ b/subworkflows/local/longread_preprocessing.nf
@@ -56,6 +56,6 @@ workflow LONGREAD_PREPROCESSING {
     emit:
     reads    = ch_processed_reads   // channel: [ val(meta), [ reads ] ]
     versions = ch_versions          // channel: [ versions.yml ]
-    mqc      =
+    mqc      = ch_multiqc_files
 }
 

From c4c82212e12ce9ab082858f5e72bc97692baec3f Mon Sep 17 00:00:00 2001
From: mjamy <mahwashjamy@gmail.com>
Date: Tue, 19 Jul 2022 14:12:16 +0200
Subject: [PATCH 286/789] incorporate diamond log file into multiqc channel

---
 subworkflows/local/profiling.nf | 1 +
 1 file changed, 1 insertion(+)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 38bc9a8..d4edc99 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -208,6 +208,7 @@ workflow PROFILING {
         DIAMOND_BLASTX ( ch_input_for_diamond.reads, ch_input_for_diamond.db, ch_diamond_reads_format , [] )
         ch_versions        = ch_versions.mix( DIAMOND_BLASTX.out.versions.first() )
         ch_raw_profiles    = ch_raw_profiles.mix( DIAMOND_BLASTX.out.tsv )
+        ch_multiqc_files   = ch_multiqc_files.mix( DIAMOND_BLASTX.out.log.collect{it[1]}.ifEmpty([]) ) 
 
     }
 

From 8d7ddb584785f7e50d7e62f7962e39731bf09e85 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Tue, 19 Jul 2022 16:30:13 +0200
Subject: [PATCH 287/789] Apply suggestions from code review

---
 subworkflows/local/longread_preprocessing.nf | 2 +-
 subworkflows/local/profiling.nf              | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf
index 2de3617..0710e07 100644
--- a/subworkflows/local/longread_preprocessing.nf
+++ b/subworkflows/local/longread_preprocessing.nf
@@ -47,7 +47,7 @@ workflow LONGREAD_PREPROCESSING {
 
         ch_versions = ch_versions.mix(PORECHOP.out.versions.first())
         ch_versions = ch_versions.mix(FILTLONG.out.versions.first())
-        ch_multiqc_files = ch_multiqc_files.mix( PORECHOP.out.log.collect{it[1]}.ifEmpty([]) )
+        ch_multiqc_files = ch_multiqc_files.mix( PORECHOP.out.log )
 
     }
 
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 39b6cb0..1cd513f 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -227,7 +227,7 @@ workflow PROFILING {
         MOTUS_PROFILE ( ch_input_for_motus.reads, ch_input_for_motus.db )
         ch_versions        = ch_versions.mix( MOTUS_PROFILE.out.versions.first() )
         ch_raw_profiles    = ch_raw_profiles.mix( MOTUS_PROFILE.out.out )
-        ch_multiqc_files   = ch_multiqc_files.mix( MOTUS_PROFILE.out.log.collect{it[1]}.ifEmpty([]) )
+        ch_multiqc_files   = ch_multiqc_files.mix( MOTUS_PROFILE.out.log )
     }
 
     emit:

From 237e9aa6236e2bc40cbffaa7f5f114b0de2927bd Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Tue, 19 Jul 2022 16:44:08 +0200
Subject: [PATCH 288/789] Update longread_preprocessing.nf

---
 subworkflows/local/longread_preprocessing.nf | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf
index a68d447..13c486e 100644
--- a/subworkflows/local/longread_preprocessing.nf
+++ b/subworkflows/local/longread_preprocessing.nf
@@ -30,7 +30,7 @@ workflow LONGREAD_PREPROCESSING {
 
         ch_processed_reads = FILTLONG ( reads.map{ meta, reads -> [meta, [], reads ]} )
         ch_versions = ch_versions.mix(FILTLONG.out.versions.first())
-        ch_multiqc_files = ch_multiqc_files.mix( FILTLONG.out.log.collect{it[1]}.ifEmpty([]))
+        ch_multiqc_files = ch_multiqc_files.mix( FILTLONG.out.log )
 
     } else {
         PORECHOP ( reads )
@@ -46,7 +46,7 @@ workflow LONGREAD_PREPROCESSING {
 
         ch_versions = ch_versions.mix(PORECHOP.out.versions.first())
         ch_versions = ch_versions.mix(FILTLONG.out.versions.first())
-        ch_multiqc_files = ch_multiqc_files.mix( FILTLONG.out.log.collect{it[1]}.ifEmpty([]))
+        ch_multiqc_files = ch_multiqc_files.mix( FILTLONG.out.log )
 
     }
 

From 811ded38afd7b6b2d0b3257d6a18f2afaada4a31 Mon Sep 17 00:00:00 2001
From: Mahwash Jamy <40695699+mjamy@users.noreply.github.com>
Date: Tue, 19 Jul 2022 16:44:48 +0200
Subject: [PATCH 289/789] Update subworkflows/local/profiling.nf

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 subworkflows/local/profiling.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index d4edc99..4735838 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -208,7 +208,7 @@ workflow PROFILING {
         DIAMOND_BLASTX ( ch_input_for_diamond.reads, ch_input_for_diamond.db, ch_diamond_reads_format , [] )
         ch_versions        = ch_versions.mix( DIAMOND_BLASTX.out.versions.first() )
         ch_raw_profiles    = ch_raw_profiles.mix( DIAMOND_BLASTX.out.tsv )
-        ch_multiqc_files   = ch_multiqc_files.mix( DIAMOND_BLASTX.out.log.collect{it[1]}.ifEmpty([]) ) 
+        ch_multiqc_files   = ch_multiqc_files.mix( DIAMOND_BLASTX.out.log ) 
 
     }
 

From 255afee4c7dc6c8287a0d7eb39542ef2a86cc9fb Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 19 Jul 2022 17:10:10 +0200
Subject: [PATCH 290/789] Re-add the collects

---
 subworkflows/local/longread_preprocessing.nf | 2 +-
 subworkflows/local/profiling.nf              | 4 ++--
 2 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf
index 0710e07..2de3617 100644
--- a/subworkflows/local/longread_preprocessing.nf
+++ b/subworkflows/local/longread_preprocessing.nf
@@ -47,7 +47,7 @@ workflow LONGREAD_PREPROCESSING {
 
         ch_versions = ch_versions.mix(PORECHOP.out.versions.first())
         ch_versions = ch_versions.mix(FILTLONG.out.versions.first())
-        ch_multiqc_files = ch_multiqc_files.mix( PORECHOP.out.log )
+        ch_multiqc_files = ch_multiqc_files.mix( PORECHOP.out.log.collect{it[1]}.ifEmpty([]) )
 
     }
 
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 1cd513f..0ef32b3 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -227,13 +227,13 @@ workflow PROFILING {
         MOTUS_PROFILE ( ch_input_for_motus.reads, ch_input_for_motus.db )
         ch_versions        = ch_versions.mix( MOTUS_PROFILE.out.versions.first() )
         ch_raw_profiles    = ch_raw_profiles.mix( MOTUS_PROFILE.out.out )
-        ch_multiqc_files   = ch_multiqc_files.mix( MOTUS_PROFILE.out.log )
+        ch_multiqc_files   = ch_multiqc_files.mix( MOTUS_PROFILE.out.log.collect{it[1]}.ifEmpty([]) )
     }
 
     emit:
     classifications = ch_raw_classifications
     profiles        = ch_raw_profiles    // channel: [ val(meta), [ reads ] ] - should be text files or biom
     versions        = ch_versions          // channel: [ versions.yml ]
-    motus_version    = params.run_motus ? MOTUS_PROFILE.out.versions.first() : Channel.empty()
+    motus_version   = params.run_motus ? MOTUS_PROFILE.out.versions.first() : Channel.empty()
     mqc             = ch_multiqc_files
 }

From 139cf0d6aa9fb93ed3596f5106a4ddf214287927 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 26 Jul 2022 10:12:33 +0200
Subject: [PATCH 291/789] Fix

---
 subworkflows/local/profiling.nf | 8 ++++----
 workflows/taxprofiler.nf        | 2 +-
 2 files changed, 5 insertions(+), 5 deletions(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 7c2c90c..1099155 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -110,7 +110,7 @@ workflow PROFILING {
                                 }
 
         MEGAN_RMA2INFO (ch_maltrun_for_megan, params.malt_generate_megansummary )
-        ch_multiqc_files       = ch_multiqc_files.mix( MALT_RUN.out.log.collect{it[1]}.ifEmpty([])  )
+        ch_multiqc_files       = ch_multiqc_files.mix( MALT_RUN.out.log )
         ch_versions            = ch_versions.mix( MALT_RUN.out.versions.first(), MEGAN_RMA2INFO.out.versions.first() )
         ch_raw_classifications = ch_raw_classifications.mix( ch_maltrun_for_megan )
         ch_raw_profiles        = ch_raw_profiles.mix( MEGAN_RMA2INFO.out.txt )
@@ -127,7 +127,7 @@ workflow PROFILING {
                                 }
 
         KRAKEN2_KRAKEN2 ( ch_input_for_kraken2.reads, ch_input_for_kraken2.db, params.kraken2_save_reads, params.kraken2_save_readclassification )
-        ch_multiqc_files       = ch_multiqc_files.mix( KRAKEN2_KRAKEN2.out.report.collect{it[1]}.ifEmpty([])  )
+        ch_multiqc_files       = ch_multiqc_files.mix( KRAKEN2_KRAKEN2.out.report )
         ch_versions            = ch_versions.mix( KRAKEN2_KRAKEN2.out.versions.first() )
         ch_raw_classifications = ch_raw_classifications.mix( KRAKEN2_KRAKEN2.out.classified_reads_assignment )
         ch_raw_profiles        = ch_raw_profiles.mix( KRAKEN2_KRAKEN2.out.report )
@@ -185,7 +185,7 @@ workflow PROFILING {
 
         KAIJU_KAIJU ( ch_input_for_kaiju.reads, ch_input_for_kaiju.db)
         KAIJU_KAIJU2TABLE (KAIJU_KAIJU.out.results, ch_input_for_kaiju.db, params.kaiju_taxon_name)
-        ch_multiqc_files = ch_multiqc_files.mix( KAIJU_KAIJU2TABLE.out.summary.collect{it[1]}.ifEmpty([])  )
+        ch_multiqc_files = ch_multiqc_files.mix( KAIJU_KAIJU2TABLE.out.summary  )
         ch_versions = ch_versions.mix( KAIJU_KAIJU.out.versions.first() )
         ch_raw_classifications = ch_raw_classifications.mix( KAIJU_KAIJU.out.results )
         ch_raw_profiles = ch_raw_profiles.mix( KAIJU_KAIJU2TABLE.out.summary )
@@ -227,7 +227,7 @@ workflow PROFILING {
         MOTUS_PROFILE ( ch_input_for_motus.reads, ch_input_for_motus.db )
         ch_versions        = ch_versions.mix( MOTUS_PROFILE.out.versions.first() )
         ch_raw_profiles    = ch_raw_profiles.mix( MOTUS_PROFILE.out.out )
-        ch_multiqc_files   = ch_multiqc_files.mix( MOTUS_PROFILE.out.log.map{it[1]} )
+        ch_multiqc_files   = ch_multiqc_files.mix( MOTUS_PROFILE.out.log )
     }
 
     emit:
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 85a3a51..b6f3a37 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -266,7 +266,7 @@ workflow TAXPROFILER {
         ch_multiqc_files = ch_multiqc_files.mix(SHORTREAD_HOSTREMOVAL.out.mqc.collect{it[1]}.ifEmpty([]))
     }
 
-    ch_multiqc_files = ch_multiqc_files.mix( PROFILING.out.mqc )
+    ch_multiqc_files = ch_multiqc_files.mix( PROFILING.out.mqc.collect{it[1]}.ifEmpty([]) )
 
     // TODO create multiQC module for metaphlan
     MULTIQC (

From e76b299705152e6ef3015658507cf78213818194 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Tue, 26 Jul 2022 08:18:54 +0000
Subject: [PATCH 292/789] Start working getting kraken and centrifuge working
 in MQC

---
 assets/multiqc_config.yml       | 32 ++++++++++++++++++++++++++++++++
 conf/modules.config             |  6 +++---
 subworkflows/local/profiling.nf |  3 ++-
 3 files changed, 37 insertions(+), 4 deletions(-)

diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml
index 438fb42..00e09c5 100644
--- a/assets/multiqc_config.yml
+++ b/assets/multiqc_config.yml
@@ -13,3 +13,35 @@ export_plots: true
 custom_logo: "nf-core-taxprofiler_logo_custom_light.png"
 custom_logo_url: https://nf-co.re/taxprofiler
 custom_logo_title: "nf-core/taxprofiler"
+
+run_modules:
+    - fastqc
+    - adapterRemoval
+    - fastp
+    - bowtie2
+    - kraken
+    - malt
+
+#extra_fn_clean_exts:
+#    - '_fastp'
+#    - '.pe.settings'
+#    - '.se.settings'
+
+top_modules:
+  - 'fastqc':
+    name: "FastQC (pre-processing)"
+    path_filters:
+      - '*_raw.zip'
+  - 'fastp'
+  - 'fastqc':
+    name: "FastQC (post-processing)"
+    path_filters:
+      - '*_processed.zip'
+  - 'kraken':
+    name: "Kraken"
+    path_filters:
+      - '*kraken.report'
+  - 'kraken':
+    name: Centrifuge"
+    path_filters:
+      - '*centrifuge.kreport'
diff --git a/conf/modules.config b/conf/modules.config
index 1558a98..ea2f487 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -285,7 +285,7 @@ process {
 
     withName: KRAKEN2_KRAKEN2 {
         ext.args = { "${meta.db_params}" }
-        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}.kraken" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}.kraken" }
         publishDir = [
             path: { "${params.outdir}/kraken2/${meta.db_name}" },
             mode: params.publish_dir_mode,
@@ -343,12 +343,12 @@ process {
             pattern: '*.{txt,sam,gz}'
         ]
         ext.args = { "${meta.db_params}" }
-        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}.centrifuge" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}.centrifuge" }
     }
 
     withName: CENTRIFUGE_KREPORT {
         ext.args = { "${meta.db_params}" }
-        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}.centrifuge" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}.centrifuge" }
         publishDir = [
             path: { "${params.outdir}/centrifuge/${meta.db_name}" },
             mode: params.publish_dir_mode,
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 7c2c90c..921f291 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -127,7 +127,7 @@ workflow PROFILING {
                                 }
 
         KRAKEN2_KRAKEN2 ( ch_input_for_kraken2.reads, ch_input_for_kraken2.db, params.kraken2_save_reads, params.kraken2_save_readclassification )
-        ch_multiqc_files       = ch_multiqc_files.mix( KRAKEN2_KRAKEN2.out.report.collect{it[1]}.ifEmpty([])  )
+        ch_multiqc_files       = ch_multiqc_files.mix( KRAKEN2_KRAKEN2.out.report  )
         ch_versions            = ch_versions.mix( KRAKEN2_KRAKEN2.out.versions.first() )
         ch_raw_classifications = ch_raw_classifications.mix( KRAKEN2_KRAKEN2.out.classified_reads_assignment )
         ch_raw_profiles        = ch_raw_profiles.mix( KRAKEN2_KRAKEN2.out.report )
@@ -152,6 +152,7 @@ workflow PROFILING {
         ch_versions            = ch_versions.mix( CENTRIFUGE_CENTRIFUGE.out.versions.first() )
         ch_raw_classifications = ch_raw_classifications.mix( CENTRIFUGE_CENTRIFUGE.out.results )
         ch_raw_profiles        = ch_raw_profiles.mix( CENTRIFUGE_KREPORT.out.kreport )
+        ch_multiqc_files       = ch_multiqc_files.mix( CENTRIFUGE_KREPORT.out.kreport )
 
     }
 

From 3054dea7c217d4d47b00e866cb4174047519f999 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Tue, 26 Jul 2022 08:41:06 +0000
Subject: [PATCH 293/789] Get multiqc input working

---
 subworkflows/local/profiling.nf | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 921f291..ad9f45f 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -110,7 +110,7 @@ workflow PROFILING {
                                 }
 
         MEGAN_RMA2INFO (ch_maltrun_for_megan, params.malt_generate_megansummary )
-        ch_multiqc_files       = ch_multiqc_files.mix( MALT_RUN.out.log.collect{it[1]}.ifEmpty([])  )
+        ch_multiqc_files       = ch_multiqc_files.mix( MALT_RUN.out.log )
         ch_versions            = ch_versions.mix( MALT_RUN.out.versions.first(), MEGAN_RMA2INFO.out.versions.first() )
         ch_raw_classifications = ch_raw_classifications.mix( ch_maltrun_for_megan )
         ch_raw_profiles        = ch_raw_profiles.mix( MEGAN_RMA2INFO.out.txt )
@@ -127,7 +127,7 @@ workflow PROFILING {
                                 }
 
         KRAKEN2_KRAKEN2 ( ch_input_for_kraken2.reads, ch_input_for_kraken2.db, params.kraken2_save_reads, params.kraken2_save_readclassification )
-        ch_multiqc_files       = ch_multiqc_files.mix( KRAKEN2_KRAKEN2.out.report  )
+        ch_multiqc_files       = ch_multiqc_files.mix( KRAKEN2_KRAKEN2.out.report.dump(tag: "hello")  )
         ch_versions            = ch_versions.mix( KRAKEN2_KRAKEN2.out.versions.first() )
         ch_raw_classifications = ch_raw_classifications.mix( KRAKEN2_KRAKEN2.out.classified_reads_assignment )
         ch_raw_profiles        = ch_raw_profiles.mix( KRAKEN2_KRAKEN2.out.report )
@@ -186,7 +186,7 @@ workflow PROFILING {
 
         KAIJU_KAIJU ( ch_input_for_kaiju.reads, ch_input_for_kaiju.db)
         KAIJU_KAIJU2TABLE (KAIJU_KAIJU.out.results, ch_input_for_kaiju.db, params.kaiju_taxon_name)
-        ch_multiqc_files = ch_multiqc_files.mix( KAIJU_KAIJU2TABLE.out.summary.collect{it[1]}.ifEmpty([])  )
+        ch_multiqc_files = ch_multiqc_files.mix( KAIJU_KAIJU2TABLE.out.summary )
         ch_versions = ch_versions.mix( KAIJU_KAIJU.out.versions.first() )
         ch_raw_classifications = ch_raw_classifications.mix( KAIJU_KAIJU.out.results )
         ch_raw_profiles = ch_raw_profiles.mix( KAIJU_KAIJU2TABLE.out.summary )

From 65b0af9a8b9960ca3731a04b8b587c3de7d7db28 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Tue, 26 Jul 2022 08:53:43 +0000
Subject: [PATCH 294/789] Fix profiling channels

---
 workflows/taxprofiler.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 85a3a51..b6f3a37 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -266,7 +266,7 @@ workflow TAXPROFILER {
         ch_multiqc_files = ch_multiqc_files.mix(SHORTREAD_HOSTREMOVAL.out.mqc.collect{it[1]}.ifEmpty([]))
     }
 
-    ch_multiqc_files = ch_multiqc_files.mix( PROFILING.out.mqc )
+    ch_multiqc_files = ch_multiqc_files.mix( PROFILING.out.mqc.collect{it[1]}.ifEmpty([]) )
 
     // TODO create multiQC module for metaphlan
     MULTIQC (

From 65ae82efc4fba6822a56914d1b8fc0a59b3fbdc6 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Tue, 26 Jul 2022 18:37:33 +0000
Subject: [PATCH 295/789] Define separte krakena nd centrigfue modules

---
 assets/multiqc_config.yml | 39 ++++++++++++++++++++++-----------------
 conf/modules.config       |  2 +-
 2 files changed, 23 insertions(+), 18 deletions(-)

diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml
index 00e09c5..3ee6141 100644
--- a/assets/multiqc_config.yml
+++ b/assets/multiqc_config.yml
@@ -28,20 +28,25 @@ run_modules:
 #    - '.se.settings'
 
 top_modules:
-  - 'fastqc':
-    name: "FastQC (pre-processing)"
-    path_filters:
-      - '*_raw.zip'
-  - 'fastp'
-  - 'fastqc':
-    name: "FastQC (post-processing)"
-    path_filters:
-      - '*_processed.zip'
-  - 'kraken':
-    name: "Kraken"
-    path_filters:
-      - '*kraken.report'
-  - 'kraken':
-    name: Centrifuge"
-    path_filters:
-      - '*centrifuge.kreport'
+    - 'fastqc':
+        name: 'FastQC (pre-Trimming)'
+        path_filters:
+            - '*raw_*fastqc.zip'
+    - 'fastp'
+    - 'adapterRemoval'
+    - 'fastqc':
+        name: 'FastQC (post-Trimming)'
+        path_filters:
+            - '*raw_*processed.zip'
+    - 'kraken':
+        name: 'Kraken'
+        path_filters:
+            - '*.kraken2.report.txt'
+    - 'kraken':
+        name: 'Centrifuge'
+        anchor: 'centrifuge'
+        target: 'Centrifuge'
+        doi: '10.1101/gr.210641.116'
+        info: "Centrifuge is a very rapid and memory-efficient system for the classification of DNA sequences from microbial samples. The system uses a novel indexing scheme based on the Burrows-Wheeler transform (BWT) and the Ferragina-Manzini (FM) index."
+        path_filters:
+            - '*.centrifuge.txt'
diff --git a/conf/modules.config b/conf/modules.config
index ea2f487..2b1f13c 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -285,7 +285,7 @@ process {
 
     withName: KRAKEN2_KRAKEN2 {
         ext.args = { "${meta.db_params}" }
-        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}.kraken" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}.kraken" }
+        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
             path: { "${params.outdir}/kraken2/${meta.db_name}" },
             mode: params.publish_dir_mode,

From a3bcf8665a681e98747f0b8fe8543efcd0694560 Mon Sep 17 00:00:00 2001
From: nf-core-bot <core@nf-co.re>
Date: Tue, 26 Jul 2022 18:47:40 +0000
Subject: [PATCH 296/789] [automated] Fix linting with Prettier

---
 assets/multiqc_config.yml | 56 +++++++++++++++++++--------------------
 1 file changed, 28 insertions(+), 28 deletions(-)

diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml
index 3ee6141..da22e2b 100644
--- a/assets/multiqc_config.yml
+++ b/assets/multiqc_config.yml
@@ -15,12 +15,12 @@ custom_logo_url: https://nf-co.re/taxprofiler
 custom_logo_title: "nf-core/taxprofiler"
 
 run_modules:
-    - fastqc
-    - adapterRemoval
-    - fastp
-    - bowtie2
-    - kraken
-    - malt
+  - fastqc
+  - adapterRemoval
+  - fastp
+  - bowtie2
+  - kraken
+  - malt
 
 #extra_fn_clean_exts:
 #    - '_fastp'
@@ -28,25 +28,25 @@ run_modules:
 #    - '.se.settings'
 
 top_modules:
-    - 'fastqc':
-        name: 'FastQC (pre-Trimming)'
-        path_filters:
-            - '*raw_*fastqc.zip'
-    - 'fastp'
-    - 'adapterRemoval'
-    - 'fastqc':
-        name: 'FastQC (post-Trimming)'
-        path_filters:
-            - '*raw_*processed.zip'
-    - 'kraken':
-        name: 'Kraken'
-        path_filters:
-            - '*.kraken2.report.txt'
-    - 'kraken':
-        name: 'Centrifuge'
-        anchor: 'centrifuge'
-        target: 'Centrifuge'
-        doi: '10.1101/gr.210641.116'
-        info: "Centrifuge is a very rapid and memory-efficient system for the classification of DNA sequences from microbial samples. The system uses a novel indexing scheme based on the Burrows-Wheeler transform (BWT) and the Ferragina-Manzini (FM) index."
-        path_filters:
-            - '*.centrifuge.txt'
+  - "fastqc":
+      name: "FastQC (pre-Trimming)"
+      path_filters:
+        - "*raw_*fastqc.zip"
+  - "fastp"
+  - "adapterRemoval"
+  - "fastqc":
+      name: "FastQC (post-Trimming)"
+      path_filters:
+        - "*raw_*processed.zip"
+  - "kraken":
+      name: "Kraken"
+      path_filters:
+        - "*.kraken2.report.txt"
+  - "kraken":
+      name: "Centrifuge"
+      anchor: "centrifuge"
+      target: "Centrifuge"
+      doi: "10.1101/gr.210641.116"
+      info: "Centrifuge is a very rapid and memory-efficient system for the classification of DNA sequences from microbial samples. The system uses a novel indexing scheme based on the Burrows-Wheeler transform (BWT) and the Ferragina-Manzini (FM) index."
+      path_filters:
+        - "*.centrifuge.txt"

From 25bcc0798da7fa053cd409cea929d9d28d47edba Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 27 Jul 2022 14:40:17 +0200
Subject: [PATCH 297/789] Start work on multiQC config with distinguishing
 Kraken/Centrifuge

---
 assets/multiqc_config.yml | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml
index da22e2b..8df4c5e 100644
--- a/assets/multiqc_config.yml
+++ b/assets/multiqc_config.yml
@@ -47,6 +47,7 @@ top_modules:
       anchor: "centrifuge"
       target: "Centrifuge"
       doi: "10.1101/gr.210641.116"
-      info: "Centrifuge is a very rapid and memory-efficient system for the classification of DNA sequences from microbial samples. The system uses a novel indexing scheme based on the Burrows-Wheeler transform (BWT) and the Ferragina-Manzini (FM) index."
+      info: "is a very rapid and memory-efficient system for the classification of DNA sequences from microbial samples. The system uses a novel indexing scheme based on the Burrows-Wheeler transform (BWT) and the Ferragina-Manzini (FM) index. Note: Figure title"
+      extra: "Note: plot title will say Kraken2 due to Centrifuge producing the same output format as Kraken. If activated, see the actual Kraken2 results in the section above."
       path_filters:
         - "*.centrifuge.txt"

From cecbb41f88b05d5534812aee8ee6781b275d48ff Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Wed, 27 Jul 2022 14:42:35 +0200
Subject: [PATCH 298/789] Update centrifuge/kreport

---
 modules/nf-core/modules/centrifuge/kreport/main.nf  | 4 ++--
 modules/nf-core/modules/centrifuge/kreport/meta.yml | 4 ++--
 subworkflows/local/profiling.nf                     | 2 +-
 3 files changed, 5 insertions(+), 5 deletions(-)

diff --git a/modules/nf-core/modules/centrifuge/kreport/main.nf b/modules/nf-core/modules/centrifuge/kreport/main.nf
index 124cbdb..381ddd6 100644
--- a/modules/nf-core/modules/centrifuge/kreport/main.nf
+++ b/modules/nf-core/modules/centrifuge/kreport/main.nf
@@ -8,7 +8,7 @@ process CENTRIFUGE_KREPORT {
         'quay.io/biocontainers/centrifuge:1.0.4_beta--h9a82719_6' }"
 
     input:
-    tuple val(meta), path(results)
+    tuple val(meta), path(report)
     path db
 
     output:
@@ -23,7 +23,7 @@ process CENTRIFUGE_KREPORT {
     def prefix = task.ext.prefix ?: "${meta.id}"
     """
     db_name=`find -L ${db} -name "*.1.cf" -not -name "._*"  | sed 's/.1.cf//'`
-    centrifuge-kreport -x \$db_name ${results} > ${prefix}.txt
+    centrifuge-kreport -x \$db_name ${report} > ${prefix}.txt
 
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":
diff --git a/modules/nf-core/modules/centrifuge/kreport/meta.yml b/modules/nf-core/modules/centrifuge/kreport/meta.yml
index fbcae24..822a280 100644
--- a/modules/nf-core/modules/centrifuge/kreport/meta.yml
+++ b/modules/nf-core/modules/centrifuge/kreport/meta.yml
@@ -15,9 +15,9 @@ input:
       description: |
         Groovy Map containing sample information
         e.g. [ id:'test', single_end:false ]
-  - results:
+  - report:
       type: file
-      description: File containing the centrifuge classification results
+      description: File containing the centrifuge classification report
       pattern: "*.{txt}"
 
 output:
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 1099155..42820ba 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -148,7 +148,7 @@ workflow PROFILING {
                                 }
 
         CENTRIFUGE_CENTRIFUGE ( ch_input_for_centrifuge.reads, ch_input_for_centrifuge.db, params.centrifuge_save_reads, params.centrifuge_save_reads, params.centrifuge_save_reads  )
-        CENTRIFUGE_KREPORT (CENTRIFUGE_CENTRIFUGE.out.results, ch_input_for_centrifuge.db)
+        CENTRIFUGE_KREPORT (CENTRIFUGE_CENTRIFUGE.out.report, ch_input_for_centrifuge.db)
         ch_versions            = ch_versions.mix( CENTRIFUGE_CENTRIFUGE.out.versions.first() )
         ch_raw_classifications = ch_raw_classifications.mix( CENTRIFUGE_CENTRIFUGE.out.results )
         ch_raw_profiles        = ch_raw_profiles.mix( CENTRIFUGE_KREPORT.out.kreport )

From 9bc45a3f24763a5ef25f3023a129bcd7c81b10d4 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Wed, 27 Jul 2022 14:44:26 +0200
Subject: [PATCH 299/789] Update centrifuge/kreport

---
 modules.json | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules.json b/modules.json
index 27db839..6c26e6b 100644
--- a/modules.json
+++ b/modules.json
@@ -22,7 +22,7 @@
                 "git_sha": "d2726fcf75063960f06b36d2229a4c0966614108"
             },
             "centrifuge/kreport": {
-                "git_sha": "be4ae28c3c95b3c4047a7d9fb4cb0ed749631cea"
+                "git_sha": "734d0db6079a4aa43b6509b207e5d6feb35d4838"
             },
             "custom/dumpsoftwareversions": {
                 "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"

From 71cf32cc6abd3769757871eba1ac2c4893a23b23 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Thu, 28 Jul 2022 08:54:32 +0200
Subject: [PATCH 300/789] Add error strategy for centrifuge/kreport

---
 conf/modules.config | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/conf/modules.config b/conf/modules.config
index 1558a98..c4ab581 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -145,7 +145,7 @@ process {
         publishDir = [
             path: { "${params.outdir}/filtlong" },
             mode: params.publish_dir_mode,
-            pattern: '*.fastq.gz',
+            pattern: '*.{fastq.gz,log}',
             enabled: params.save_preprocessed_reads
         ]
     }
@@ -347,6 +347,7 @@ process {
     }
 
     withName: CENTRIFUGE_KREPORT {
+        errorStrategy = {task.exitStatus == 255 ? 'ignore' : 'retry'}
         ext.args = { "${meta.db_params}" }
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [

From 5cdf5e958a6be59eced1f9dbf0a24472c7483811 Mon Sep 17 00:00:00 2001
From: mjamy <mahwashjamy@gmail.com>
Date: Thu, 28 Jul 2022 15:52:31 +0200
Subject: [PATCH 301/789] Updated modules.config to add 'log' in diamond config

---
 conf/modules.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/conf/modules.config b/conf/modules.config
index c4ab581..9c61999 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -387,7 +387,7 @@ process {
         publishDir = [
             path: { "${params.outdir}/diamond/${meta.db_name}" },
             mode: params.publish_dir_mode,
-            pattern: '*.{blast,xml,txt,daa,sam,tsv,paf}'
+            pattern: '*.{blast,xml,txt,daa,sam,tsv,paf,log}'
         ]
     }
 

From f48b22d615c824165cd40b9466b1656b9850f79a Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Fri, 29 Jul 2022 09:52:49 +0200
Subject: [PATCH 302/789] Apply suggestions from code review

---
 subworkflows/local/longread_preprocessing.nf | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf
index bc595d6..3464167 100644
--- a/subworkflows/local/longread_preprocessing.nf
+++ b/subworkflows/local/longread_preprocessing.nf
@@ -26,7 +26,7 @@ workflow LONGREAD_PREPROCESSING {
                                         }
 
         ch_versions = ch_versions.mix(PORECHOP.out.versions.first())
-        ch_multiqc_files = ch_multiqc_files.mix( PORECHOP.out.log.collect{it[1]}.ifEmpty([]) )
+        ch_multiqc_files = ch_multiqc_files.mix( PORECHOP.out.log )
 
     } else if ( !params.longread_qc_run_clip && params.longread_qc_run_filter ) {
 
@@ -48,8 +48,8 @@ workflow LONGREAD_PREPROCESSING {
 
         ch_versions = ch_versions.mix(PORECHOP.out.versions.first())
         ch_versions = ch_versions.mix(FILTLONG.out.versions.first())
-        ch_multiqc_files = ch_multiqc_files.mix( PORECHOP.out.log.collect{it[1]}.ifEmpty([]) )
-        ch_multiqc_files = ch_multiqc_files.mix( FILTLONG.out.log.collect{it[1]}.ifEmpty([]) )
+        ch_multiqc_files = ch_multiqc_files.mix( PORECHOP.out.log )
+        ch_multiqc_files = ch_multiqc_files.mix( FILTLONG.out.log )
     }
 
     FASTQC_PROCESSED ( ch_processed_reads )

From a97bb69cd28d93b4bae24b99014a6e5e6148c548 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 23 Aug 2022 14:24:57 +0200
Subject: [PATCH 303/789] Prettier

---
 assets/multiqc_config.yml | 1 +
 conf/modules.config       | 3 ++-
 2 files changed, 3 insertions(+), 1 deletion(-)

diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml
index 8df4c5e..d16ed7e 100644
--- a/assets/multiqc_config.yml
+++ b/assets/multiqc_config.yml
@@ -21,6 +21,7 @@ run_modules:
   - bowtie2
   - kraken
   - malt
+  - custom_content
 
 #extra_fn_clean_exts:
 #    - '_fastp'
diff --git a/conf/modules.config b/conf/modules.config
index 0330abb..1f4914d 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -241,7 +241,8 @@ process {
     withName: PRINSEQPLUSPLUS {
         ext.args =  [
                 params.shortread_complexityfilter_prinseqplusplus_mode == 'dust' ? "-lc_dust=${params.shortread_complexityfilter_prinseqplusplus_dustscore}" : "-lc_entropy=${params.shortread_complexityfilter_entropy}",
-                "-trim_qual_left=0 -trim_qual_left=0 -trim_qual_window=0 -trim_qual_step=0"
+                "-trim_qual_left=0 -trim_qual_left=0 -trim_qual_window=0 -trim_qual_step=0",
+                "-VERBOSE 2"
             ].join(' ').trim()
         ext.prefix = { "${meta.id}-${meta.run_accession}" }
         publishDir = [

From e6c7939305c2ef5477b0576a0efcbd63800b8e9d Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 23 Aug 2022 14:37:01 +0200
Subject: [PATCH 304/789] Add test_nothing config profile for minimal testing

---
 conf/test_nothing.config | 47 ++++++++++++++++++++++++++++++++++++++++
 nextflow.config          | 11 +++++-----
 2 files changed, 53 insertions(+), 5 deletions(-)
 create mode 100644 conf/test_nothing.config

diff --git a/conf/test_nothing.config b/conf/test_nothing.config
new file mode 100644
index 0000000..e4846a3
--- /dev/null
+++ b/conf/test_nothing.config
@@ -0,0 +1,47 @@
+/*
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+    Nextflow config file for running minimal tests
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+    Defines input files and everything required to run a fast and simple pipeline test.
+
+    Use as follows:
+        nextflow run nf-core/taxprofiler -profile test,<docker/singularity> --outdir <OUTDIR>
+
+----------------------------------------------------------------------------------------
+*/
+
+params {
+    config_profile_name        = 'Test profile'
+    config_profile_description = 'Minimal test dataset without performing any profiling to check pipeline function'
+
+    // Limit resources so that this can run on GitHub Actions
+    max_cpus   = 2
+    max_memory = '6.GB'
+    max_time   = '6.h'
+
+    // Input data
+    // TODO nf-core: Specify the paths to your test data on nf-core/test-datasets
+    // TODO nf-core: Give any required params for the test so that command line flags are not needed
+    input                                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
+    databases                             = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
+    perform_shortread_qc                  = false
+    perform_longread_qc                   = false
+    perform_shortread_complexityfilter    = false
+    perform_shortread_hostremoval         = false
+    perform_longread_hostremoval          = false
+    perform_runmerging                    = false
+    hostremoval_reference                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/homo_sapiens/genome/genome.fasta'
+    run_kaiju                             = false
+    run_kraken2                           = false
+    run_malt                              = false
+    run_metaphlan3                        = false
+    run_centrifuge                        = false
+    run_diamond                           = false
+    run_motus                             = false
+}
+
+process {
+    withName: MALT_RUN {
+        maxForks = 1
+    }
+}
diff --git a/nextflow.config b/nextflow.config
index 58c9254..4a83031 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -204,11 +204,12 @@ profiles {
         podman.enabled         = false
         shifter.enabled        = false
     }
-    test      { includeConfig 'conf/test.config'      }
-    test_full { includeConfig 'conf/test_full.config' }
-    test_noprofiling { includeConfig 'conf/test_noprofiling.config' }
-    test_nopreprocessing { includeConfig 'conf/test_nopreprocessing.config' }
-    test_motus { includeConfig 'conf/test_motus.config' }
+    test                    { includeConfig 'conf/test.config'      }
+    test_full               { includeConfig 'conf/test_full.config' }
+    test_noprofiling        { includeConfig 'conf/test_noprofiling.config' }
+    test_nopreprocessing    { includeConfig 'conf/test_nopreprocessing.config' }
+    test_nothing            { includeConfig 'conf/test_nothing.config' }
+    test_motus              { includeConfig 'conf/test_motus.config' }
 }
 
 // Load igenomes.config if required

From 4315141c5fa31e721f0cce4154938275c494c68d Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Tue, 23 Aug 2022 15:44:53 +0200
Subject: [PATCH 305/789] Update bin/check_samplesheet.py

Co-authored-by: Moritz E. Beber <midnighter@posteo.net>
---
 bin/check_samplesheet.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/bin/check_samplesheet.py b/bin/check_samplesheet.py
index 4e80b46..8c13690 100755
--- a/bin/check_samplesheet.py
+++ b/bin/check_samplesheet.py
@@ -100,7 +100,7 @@ def check_samplesheet(file_in, file_out):
             sys.exit(1)
 
         ## Find locations of mandatory columns
-        header_locs = dict()
+        header_locs = {}
         for i in HEADER:
             header_locs[i] = header.index(i)
 

From a3055bf6dace3e27710b6d83f2a3236fdecbeddc Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Tue, 23 Aug 2022 15:48:02 +0200
Subject: [PATCH 306/789] Update conf/test_nothing.config

---
 conf/test_nothing.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/conf/test_nothing.config b/conf/test_nothing.config
index e4846a3..5cd89eb 100644
--- a/conf/test_nothing.config
+++ b/conf/test_nothing.config
@@ -12,7 +12,7 @@
 
 params {
     config_profile_name        = 'Test profile'
-    config_profile_description = 'Minimal test dataset without performing any profiling to check pipeline function'
+    config_profile_description = 'Minimal test dataset without performing any preprocessing nor profiling to check pipeline function. Useful when you only wish to test a single profiler without having to 'opt-out' of all the others'
 
     // Limit resources so that this can run on GitHub Actions
     max_cpus   = 2

From d6d51e0e4388da1693071847563f869990309eb3 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 24 Aug 2022 15:23:51 +0200
Subject: [PATCH 307/789] Start work on reordering json schema parameters

---
 nextflow_schema.json | 494 ++++++++++++++++++++++++++-----------------
 1 file changed, 302 insertions(+), 192 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index b4cb837..70cee15 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,7 +10,10 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["input", "outdir"],
+            "required": [
+                "input",
+                "outdir"
+            ],
             "properties": {
                 "input": {
                     "type": "string",
@@ -22,6 +25,12 @@
                     "help_text": "You will need to create a design file with information about the samples in your experiment before running the pipeline. Use this parameter to specify its location. It has to be a comma-separated file with 3 columns, and a header row. See [usage docs](https://nf-co.re/taxprofiler/usage#samplesheet-input).",
                     "fa_icon": "fas fa-file-csv"
                 },
+                "databases": {
+                    "type": "string",
+                    "mimetype": "text/csv",
+                    "format": "file-path",
+                    "default": "None"
+                },
                 "outdir": {
                     "type": "string",
                     "format": "directory-path",
@@ -174,7 +183,14 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
+                    "enum": [
+                        "symlink",
+                        "rellink",
+                        "link",
+                        "copy",
+                        "copyNoFollow",
+                        "move"
+                    ],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -239,6 +255,275 @@
                     "fa_icon": "fas fa-bacon"
                 }
             }
+        },
+        "preprocessing_short_read_qc": {
+            "title": "Preprocessing - Short Read QC",
+            "type": "object",
+            "description": "",
+            "default": "",
+            "properties": {
+                "perform_shortread_qc": {
+                    "type": "boolean"
+                },
+                "shortread_qc_tool": {
+                    "type": "string",
+                    "default": "fastp",
+                    "enum": [
+                        "fastp",
+                        "adapterremoval"
+                    ]
+                },
+                "shortread_qc_skipadaptertrim": {
+                    "type": "boolean"
+                },
+                "shortread_qc_adapter1": {
+                    "type": "string",
+                    "default": "None"
+                },
+                "shortread_qc_adapter2": {
+                    "type": "string",
+                    "default": "None"
+                },
+                "shortread_qc_mergepairs": {
+                    "type": "boolean"
+                },
+                "shortread_qc_excludeunmerged": {
+                    "type": "boolean"
+                },
+                "shortread_qc_minlength": {
+                    "type": "integer",
+                    "default": 15
+                },
+                "perform_shortread_complexityfilter": {
+                    "type": "boolean"
+                },
+                "shortread_complexityfilter_tool": {
+                    "type": "string",
+                    "default": "bbduk",
+                    "enum": [
+                        "bbduk",
+                        "prinseqplusplus",
+                        "fastp"
+                    ]
+                },
+                "shortread_complexityfilter_entropy": {
+                    "type": "number",
+                    "default": 0.3
+                },
+                "shortread_complexityfilter_bbduk_windowsize": {
+                    "type": "integer",
+                    "default": 50
+                },
+                "shortread_complexityfilter_bbduk_mask": {
+                    "type": "boolean"
+                },
+                "shortread_complexityfilter_fastp_threshold": {
+                    "type": "integer",
+                    "default": 30
+                },
+                "shortread_complexityfilter_prinseqplusplus_mode": {
+                    "type": "string",
+                    "default": "entropy",
+                    "enum": [
+                        "entropy",
+                        "dust"
+                    ]
+                },
+                "shortread_complexityfilter_prinseqplusplus_dustscore": {
+                    "type": "number",
+                    "default": 0.5
+                },
+                "save_complexityfiltered_reads": {
+                    "type": "boolean"
+                }
+            }
+        },
+        "profiling": {
+            "title": "Profiling",
+            "type": "object",
+            "description": "",
+            "default": "",
+            "properties": {
+                "run_malt": {
+                    "type": "boolean"
+                },
+                "run_diamond": {
+                    "type": "boolean"
+                },
+                "malt_mode": {
+                    "type": "string",
+                    "default": "BlastN"
+                },
+                "kaiju_taxon_name": {
+                    "type": "string",
+                    "default": "species",
+                    "enum": [
+                        "phylum",
+                        "class",
+                        "order",
+                        "family",
+                        "genus",
+                        "species"
+                    ]
+                },
+                "run_centrifuge": {
+                    "type": "boolean"
+                },
+                "diamond_output_format": {
+                    "type": "string",
+                    "default": "tsv",
+                    "enum": [
+                        "blast",
+                        "xml",
+                        "txt",
+                        "daa",
+                        "sam",
+                        "tsv",
+                        "paf"
+                    ]
+                },
+                "malt_generate_megansummary": {
+                    "type": "boolean"
+                },
+                "run_metaphlan3": {
+                    "type": "boolean",
+                    "description": "Enable MetaPhlAn for taxonomic profiling"
+                },
+                "centrifuge_save_reads": {
+                    "type": "boolean"
+                },
+                "run_kaiju": {
+                    "type": "boolean"
+                },
+                "kraken2_save_reads": {
+                    "type": "boolean"
+                },
+                "diamond_save_reads": {
+                    "type": "boolean"
+                },
+                "malt_save_reads": {
+                    "type": "boolean"
+                },
+                "run_motus": {
+                    "type": "boolean"
+                },
+                "kraken2_save_readclassification": {
+                    "type": "boolean"
+                },
+                "run_kraken2": {
+                    "type": "boolean"
+                }
+            }
+        },
+        "preprocessing_general_qc": {
+            "title": "Preprocessing - General QC",
+            "type": "object",
+            "description": "",
+            "default": "",
+            "properties": {
+                "save_preprocessed_reads": {
+                    "type": "boolean"
+                }
+            }
+        },
+        "preprocessing_long_read_qc": {
+            "title": "Preprocessing - Long Read QC",
+            "type": "object",
+            "description": "",
+            "default": "",
+            "properties": {
+                "perform_longread_qc": {
+                    "type": "boolean"
+                },
+                "longread_qc_run_clip": {
+                    "type": "boolean"
+                },
+                "longread_qc_run_filter": {
+                    "type": "boolean"
+                },
+                "longread_qc_keep_percent": {
+                    "type": "integer",
+                    "default": 90
+                },
+                "longread_qc_target_bases": {
+                    "type": "integer",
+                    "default": 500000000
+                },
+                "longread_qc_minlength": {
+                    "type": "integer",
+                    "default": 1000
+                },
+                "longread_hostremoval_index": {
+                    "type": "string",
+                    "default": "None"
+                }
+            }
+        },
+        "preprocessing_host_removal": {
+            "title": "Preprocessing - Host Removal",
+            "type": "object",
+            "description": "",
+            "default": "",
+            "properties": {
+                "perform_shortread_hostremoval": {
+                    "type": "boolean"
+                },
+                "hostremoval_reference": {
+                    "type": "string",
+                    "default": "None"
+                },
+                "perform_longread_hostremoval": {
+                    "type": "boolean"
+                },
+                "save_hostremoval_mapped": {
+                    "type": "boolean"
+                },
+                "save_hostremoval_index": {
+                    "type": "boolean"
+                },
+                "save_hostremoval_unmapped": {
+                    "type": "boolean"
+                },
+                "shortread_hostremoval_index": {
+                    "type": "string",
+                    "default": "None"
+                }
+            }
+        },
+        "preprocessing_run_merging": {
+            "title": "Preprocessing - Run Merging",
+            "type": "object",
+            "description": "",
+            "default": "",
+            "properties": {
+                "perform_runmerging": {
+                    "type": "boolean"
+                },
+                "save_runmerged_reads": {
+                    "type": "boolean"
+                }
+            }
+        },
+        "postprocessing_and_visualisation": {
+            "title": "Postprocessing and Visualisation",
+            "type": "object",
+            "description": "",
+            "default": "",
+            "properties": {
+                "run_profile_standardisation": {
+                    "type": "boolean"
+                },
+                "krona_taxonomy_directory": {
+                    "type": "string",
+                    "default": "None"
+                },
+                "run_krona": {
+                    "type": "boolean"
+                },
+                "generate_biom_output": {
+                    "type": "boolean"
+                }
+            }
         }
     },
     "allOf": [
@@ -256,202 +541,27 @@
         },
         {
             "$ref": "#/definitions/generic_options"
-        }
-    ],
-    "properties": {
-        "databases": {
-            "type": "string",
-            "mimetype": "text/csv",
-            "format": "file-path",
-            "default": "None"
-        },
-        "shortread_qc_excludeunmerged": {
-            "type": "boolean"
-        },
-        "run_malt": {
-            "type": "boolean"
-        },
-        "malt_mode": {
-            "type": "string",
-            "default": "BlastN"
-        },
-        "run_kraken2": {
-            "type": "boolean"
-        },
-        "run_centrifuge": {
-            "type": "boolean"
-        },
-        "run_metaphlan3": {
-            "type": "boolean",
-            "description": "Enable MetaPhlAn for taxonomic profiling"
-        },
-        "shortread_qc_tool": {
-            "type": "string",
-            "default": "fastp",
-            "enum": ["fastp", "adapterremoval"]
-        },
-        "shortread_qc_skipadaptertrim": {
-            "type": "boolean"
-        },
-        "shortread_qc_mergepairs": {
-            "type": "boolean"
-        },
-        "shortread_qc_adapter1": {
-            "type": "string",
-            "default": "None"
-        },
-        "shortread_qc_adapter2": {
-            "type": "string",
-            "default": "None"
-        },
-        "shortread_qc_minlength": {
-            "type": "integer",
-            "default": 15
-        },
-        "save_preprocessed_reads": {
-            "type": "boolean"
-        },
-        "shortread_complexityfilter_tool": {
-            "type": "string",
-            "default": "bbduk",
-            "enum": ["bbduk", "prinseqplusplus", "fastp"]
         },
-        "shortread_complexityfilter_bbduk_windowsize": {
-            "type": "integer",
-            "default": 50
-        },
-        "shortread_complexityfilter_bbduk_mask": {
-            "type": "boolean"
-        },
-        "shortread_complexityfilter_entropy": {
-            "type": "number",
-            "default": 0.3
-        },
-        "shortread_complexityfilter_prinseqplusplus_mode": {
-            "type": "string",
-            "default": "entropy",
-            "enum": ["entropy", "dust"]
-        },
-        "shortread_complexityfilter_prinseqplusplus_dustscore": {
-            "type": "number",
-            "default": 0.5
-        },
-        "save_complexityfiltered_reads": {
-            "type": "boolean"
-        },
-        "save_runmerged_reads": {
-            "type": "boolean"
-        },
-        "perform_shortread_qc": {
-            "type": "boolean"
-        },
-        "perform_longread_qc": {
-            "type": "boolean"
-        },
-        "perform_shortread_complexityfilter": {
-            "type": "boolean"
-        },
-        "perform_runmerging": {
-            "type": "boolean"
-        },
-        "perform_shortread_hostremoval": {
-            "type": "boolean"
-        },
-        "perform_longread_hostremoval": {
-            "type": "boolean"
-        },
-        "hostremoval_reference": {
-            "type": "string",
-            "default": "None"
-        },
-        "shortread_hostremoval_index": {
-            "type": "string",
-            "default": "None"
-        },
-        "save_hostremoval_index": {
-            "type": "boolean"
-        },
-        "save_hostremoval_mapped": {
-            "type": "boolean"
-        },
-        "save_hostremoval_unmapped": {
-            "type": "boolean"
-        },
-        "run_kaiju": {
-            "type": "boolean"
-        },
-        "malt_generate_megansummary": {
-            "type": "boolean"
-        },
-        "kaiju_taxon_name": {
-            "type": "string",
-            "default": "species",
-            "enum": ["phylum", "class", "order", "family", "genus", "species"]
-        },
-        "run_diamond": {
-            "type": "boolean"
-        },
-        "diamond_output_format": {
-            "type": "string",
-            "default": "tsv",
-            "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"]
-        },
-        "longread_hostremoval_index": {
-            "type": "string",
-            "default": "None"
-        },
-        "shortread_complexityfilter_fastp_threshold": {
-            "type": "integer",
-            "default": 30
-        },
-        "longread_qc_run_clip": {
-            "type": "boolean"
-        },
-        "longread_qc_run_filter": {
-            "type": "boolean"
-        },
-        "longread_qc_minlength": {
-            "type": "integer",
-            "default": 1000
-        },
-        "longread_qc_keep_percent": {
-            "type": "integer",
-            "default": 90
-        },
-        "longread_qc_target_bases": {
-            "type": "integer",
-            "default": 500000000
-        },
-        "run_motus": {
-            "type": "boolean"
-        },
-        "malt_save_reads": {
-            "type": "boolean"
-        },
-        "kraken2_save_reads": {
-            "type": "boolean"
-        },
-        "kraken2_save_readclassification": {
-            "type": "boolean"
+        {
+            "$ref": "#/definitions/preprocessing_short_read_qc"
         },
-        "centrifuge_save_reads": {
-            "type": "boolean"
+        {
+            "$ref": "#/definitions/profiling"
         },
-        "diamond_save_reads": {
-            "type": "boolean"
+        {
+            "$ref": "#/definitions/preprocessing_general_qc"
         },
-        "run_krona": {
-            "type": "boolean"
+        {
+            "$ref": "#/definitions/preprocessing_long_read_qc"
         },
-        "krona_taxonomy_directory": {
-            "type": "string",
-            "default": "None"
+        {
+            "$ref": "#/definitions/preprocessing_host_removal"
         },
-        "run_profile_standardisation": {
-            "type": "boolean"
+        {
+            "$ref": "#/definitions/preprocessing_run_merging"
         },
-        "generate_biom_output": {
-            "type": "boolean"
+        {
+            "$ref": "#/definitions/postprocessing_and_visualisation"
         }
-    }
+    ]
 }

From d4af88e3ffb5422acaeecd9d122c61be3eda18d1 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 25 Aug 2022 15:50:28 +0200
Subject: [PATCH 308/789] Make kaiju parameter clearer for documentation
 purpses and update documentation

---
 nextflow.config                 |   2 +-
 nextflow_schema.json            | 706 +++++++++++++++++++-------------
 subworkflows/local/profiling.nf |   4 +-
 3 files changed, 415 insertions(+), 297 deletions(-)

diff --git a/nextflow.config b/nextflow.config
index 4a83031..6e84548 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -119,7 +119,7 @@ params {
 
     // kaiju
     run_kaiju                  = false
-    kaiju_taxon_name           = 'species'
+    kaiju_taxon_rank           = 'species'
 
     // diamond
     run_diamond                = false
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 70cee15..3bc7e3e 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -12,6 +12,7 @@
             "description": "Define where the pipeline should find input data and save output data.",
             "required": [
                 "input",
+                "databases",
                 "outdir"
             ],
             "properties": {
@@ -21,15 +22,17 @@
                     "mimetype": "text/csv",
                     "pattern": "^\\S+\\.csv$",
                     "schema": "assets/schema_input.json",
-                    "description": "Path to comma-separated file containing information about the samples in the experiment.",
-                    "help_text": "You will need to create a design file with information about the samples in your experiment before running the pipeline. Use this parameter to specify its location. It has to be a comma-separated file with 3 columns, and a header row. See [usage docs](https://nf-co.re/taxprofiler/usage#samplesheet-input).",
+                    "description": "Path to comma-separated file containing information about the samples and libraries/runs.",
+                    "help_text": "You will need to create a design file with information about the samples and libraries/runs you want to running in your pipeline run. Use this parameter to specify its location. It has to be a comma-separated file with 6 columns, and a header row. See [usage docs](https://nf-co.re/taxprofiler/usage#samplesheet-input).",
                     "fa_icon": "fas fa-file-csv"
                 },
                 "databases": {
                     "type": "string",
                     "mimetype": "text/csv",
                     "format": "file-path",
-                    "default": "None"
+                    "fa_icon": "fas fa-database",
+                    "description": "Path to comma-separated file containing information about databases and profiling parameters for each taxonomic profiler",
+                    "help_text": "You will need to create a design file with information about the samples in your experiment before running the pipeline. Use this parameter to specify its location. It has to be a comma-separated file with 4 columns, and a header row. See [usage docs](https://nf-co.re/taxprofiler/dev/usage#full-database-sheet).\n\nProfilers will only be executed if a corresponding  database are supplied. \n\nWe recommend storing this database sheet somewhere centrally and accessible by others members of your lab/institutions, as this file will likely be regularly reused."
                 },
                 "outdir": {
                     "type": "string",
@@ -51,35 +54,389 @@
                 }
             }
         },
-        "reference_genome_options": {
-            "title": "Reference genome options",
+        "preprocessing_general_qc_options": {
+            "title": "Preprocessing general QC options",
             "type": "object",
-            "fa_icon": "fas fa-dna",
-            "description": "Reference genome related files and options required for the workflow.",
+            "description": "Common options across both long and short read preprocessing QC steps",
+            "default": "",
             "properties": {
-                "genome": {
+                "save_preprocessed_reads": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Save reads from adapter clipping/pair-merging, length filtering for both short and long reads",
+                    "help_text": "This saves the FASTQ output from the following tools:\n\n- FastP\n- AdapterRemoval\n- PoreChop\n- FiltLong\n\nThese reads will be a mixture of: adapter clipped, quality trimmed, pair-merged, and length filtered, depending on the parameters you set."
+                }
+            },
+            "fa_icon": "fas fa-users-cog"
+        },
+        "preprocessing_short_read_qc_options": {
+            "title": "Preprocessing short-read QC options",
+            "type": "object",
+            "description": "Options for adapter clipping, quality trimming, pair-merging, and complexity filtering",
+            "default": "",
+            "properties": {
+                "perform_shortread_qc": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turns on short read quality control steps (adapter clipping, complexity filtering etc.)"
+                },
+                "shortread_qc_tool": {
                     "type": "string",
-                    "description": "Name of iGenomes reference.",
-                    "fa_icon": "fas fa-book",
-                    "help_text": "If using a reference genome configured in the pipeline using iGenomes, use this parameter to give the ID for the reference. This is then used to build the full paths for all required reference genome files e.g. `--genome GRCh38`. \n\nSee the [nf-core website docs](https://nf-co.re/usage/reference_genomes) for more details.",
-                    "hidden": true
+                    "default": "fastp",
+                    "enum": [
+                        "fastp",
+                        "adapterremoval"
+                    ],
+                    "fa_icon": "fas fa-tools",
+                    "description": "Specify which tool to use for read QC"
                 },
-                "igenomes_base": {
+                "shortread_qc_skipadaptertrim": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-forward",
+                    "description": "Skip adapter trimming"
+                },
+                "shortread_qc_adapter1": {
                     "type": "string",
-                    "format": "directory-path",
-                    "description": "Directory / URL base for iGenomes references.",
-                    "default": "s3://ngi-igenomes/igenomes",
-                    "fa_icon": "fas fa-cloud-download-alt",
-                    "hidden": true
+                    "default": "None",
+                    "fa_icon": "fas fa-grip-lines",
+                    "description": "Specify adapter 1 nucleotide sequence"
                 },
-                "igenomes_ignore": {
+                "shortread_qc_adapter2": {
+                    "type": "string",
+                    "default": "None",
+                    "fa_icon": "fas fa-grip-lines",
+                    "description": "Specify adapter 2 nucleotide sequence"
+                },
+                "shortread_qc_mergepairs": {
                     "type": "boolean",
-                    "description": "Do not load the iGenomes reference config.",
-                    "fa_icon": "fas fa-ban",
-                    "hidden": true,
-                    "help_text": "Do not load `igenomes.config` when running the pipeline. You may choose this option if you observe clashes between custom parameters and those supplied in `igenomes.config`."
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on merging of read pairs for paired-end data"
+                },
+                "shortread_qc_excludeunmerged": {
+                    "type": "boolean",
+                    "fa_icon": "far fa-times-circle",
+                    "description": "Discard unmerged reads from paired-end merging"
+                },
+                "shortread_qc_minlength": {
+                    "type": "integer",
+                    "default": 15,
+                    "fa_icon": "fas fa-ruler-horizontal",
+                    "description": "Specify the minimum length of reads"
+                },
+                "perform_shortread_complexityfilter": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turns on nucleotide sequence complexity filtering"
+                },
+                "shortread_complexityfilter_tool": {
+                    "type": "string",
+                    "default": "bbduk",
+                    "enum": [
+                        "bbduk",
+                        "prinseqplusplus",
+                        "fastp"
+                    ],
+                    "fa_icon": "fas fa-hammer",
+                    "description": "Specify which tool to use for complexity filtering"
+                },
+                "shortread_complexityfilter_entropy": {
+                    "type": "number",
+                    "default": 0.3,
+                    "fa_icon": "fas fa-random",
+                    "description": "Specify the minimum sequence entropy level for complexity filtering"
+                },
+                "shortread_complexityfilter_bbduk_windowsize": {
+                    "type": "integer",
+                    "default": 50,
+                    "fa_icon": "far fa-window-maximize",
+                    "description": "Specify the window size for BBDuk complexity filtering"
+                },
+                "shortread_complexityfilter_bbduk_mask": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-mask",
+                    "description": "Turn on masking rather than discarding of low complexity reads for BBduk"
+                },
+                "shortread_complexityfilter_fastp_threshold": {
+                    "type": "integer",
+                    "default": 30,
+                    "fa_icon": "fas fa-sort-numeric-down",
+                    "description": "Specify the minimum complexity filter threshold of Fastp"
+                },
+                "shortread_complexityfilter_prinseqplusplus_mode": {
+                    "type": "string",
+                    "default": "entropy",
+                    "enum": [
+                        "entropy",
+                        "dust"
+                    ],
+                    "fa_icon": "fas fa-check-square",
+                    "description": "Specify the complexity filter mode for PRINSEQ++"
+                },
+                "shortread_complexityfilter_prinseqplusplus_dustscore": {
+                    "type": "number",
+                    "default": 0.5,
+                    "fa_icon": "fas fa-head-side-mask",
+                    "description": "Specify the minimum dust score for PRINTSEQ++ complexity filtering"
+                },
+                "save_complexityfiltered_reads": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Save complexity filtered short-reads"
                 }
-            }
+            },
+            "fa_icon": "fas fa-compress-alt"
+        },
+        "preprocessing_long_read_qc_options": {
+            "title": "Preprocessing long-read QC options",
+            "type": "object",
+            "description": "Options for adapter clipping, quality trimming, and length filtering",
+            "default": "",
+            "properties": {
+                "perform_longread_qc": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turns on long read quality control steps (adapter clipping, length filtering etc.)"
+                },
+                "longread_qc_run_clip": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on long-read adapter clipping"
+                },
+                "longread_qc_run_filter": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on Filtlong long-read length filtering"
+                },
+                "longread_qc_keep_percent": {
+                    "type": "integer",
+                    "default": 90,
+                    "fa_icon": "fas fa-percent",
+                    "description": "Specify minimum percentage of high-quality reads to keep during filtering"
+                },
+                "longread_qc_target_bases": {
+                    "type": "integer",
+                    "default": 500000000,
+                    "fa_icon": "fas fa-bullseye",
+                    "description": "Specify the target number of high-quality bases to retain overall during filtering"
+                },
+                "longread_qc_minlength": {
+                    "type": "integer",
+                    "default": 1000,
+                    "fa_icon": "fas fa-ruler-horizontal",
+                    "description": "Specify the minimum length of long-reads to retain during filtering"
+                }
+            },
+            "fa_icon": "fas fa-expand-alt"
+        },
+        "preprocessing_host_removal_options": {
+            "title": "Preprocessing host removal options",
+            "type": "object",
+            "description": "Options for pre-profiling host read removal",
+            "default": "",
+            "properties": {
+                "perform_shortread_hostremoval": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on short-read host removal"
+                },
+                "perform_longread_hostremoval": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on long-read host removal"
+                },
+                "hostremoval_reference": {
+                    "type": "string",
+                    "default": "None",
+                    "fa_icon": "fas fa-file-alt",
+                    "description": "Specify path to single reference FASTA of host(s) genome(s)"
+                },
+                "shortread_hostremoval_index": {
+                    "type": "string",
+                    "default": "None",
+                    "fa_icon": "fas fa-address-book",
+                    "description": "Specify path to the directory containing pre-made BowTie2 indexes of the host removal reference"
+                },
+                "longread_hostremoval_index": {
+                    "type": "string",
+                    "default": "None",
+                    "fa_icon": "fas fa-address-book",
+                    "description": "Specify path to the directory containing pre-made Minimap2 indexes of the host removal reference"
+                },
+                "save_hostremoval_index": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Save mapping index of input reference when not already supplied by user"
+                },
+                "save_hostremoval_mapped": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Save mapped reads in BAM format from host removal"
+                },
+                "save_hostremoval_unmapped": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Save unmapped reads in FASTQ format from host removal"
+                }
+            },
+            "fa_icon": "fas fa-user-times"
+        },
+        "preprocessing_run_merging_options": {
+            "title": "Preprocessing run merging options",
+            "type": "object",
+            "description": "Options for per-sample run-merging",
+            "default": "",
+            "properties": {
+                "perform_runmerging": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on run merging"
+                },
+                "save_runmerged_reads": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Save run-concatenated input FASTQ files for each sample"
+                }
+            },
+            "fa_icon": "fas fa-clipboard-check"
+        },
+        "profiling_options": {
+            "title": "Profiling options",
+            "type": "object",
+            "description": "",
+            "default": "",
+            "properties": {
+                "run_centrifuge": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on profiling with Centrifuge. Requires database to be present CSV file passed to --databases"
+                },
+                "centrifuge_save_reads": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Turn on saving of Centrifuge-aligned reads"
+                },
+                "run_diamond": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on profiling with DIAMOND. Requires database to be present CSV file passed to --databases"
+                },
+                "diamond_output_format": {
+                    "type": "string",
+                    "default": "tsv",
+                    "enum": [
+                        "blast",
+                        "xml",
+                        "txt",
+                        "daa",
+                        "sam",
+                        "tsv",
+                        "paf"
+                    ],
+                    "fa_icon": "fas fa-file",
+                    "description": "Specify output format from DIAMOND profiling."
+                },
+                "diamond_save_reads": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Turn on saving of DIAMOND-aligned reads. Will override --diamond_output_format and no taxon tables will be generated"
+                },
+                "run_kaiju": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on profiling with Kaiju. Requires database to be present CSV file passed to --databases"
+                },
+                "kaiju_taxon_rank": {
+                    "type": "string",
+                    "default": "species",
+                    "enum": [
+                        "phylum",
+                        "class",
+                        "order",
+                        "family",
+                        "genus",
+                        "species"
+                    ],
+                    "fa_icon": "fas fa-tag",
+                    "description": "Specify taxonomic rank to be displayed in Kaiju taxon table"
+                },
+                "run_kraken2": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on profiling with Kraken2. Requires database to be present CSV file passed to --databases"
+                },
+                "kraken2_save_reads": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Turn on saving of Kraken2-aligned reads"
+                },
+                "kraken2_save_readclassification": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Turn on saving of Kraken2 per-read taxonomic assignment file"
+                },
+                "run_malt": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on profiling with MALT. Requires database to be present CSV file passed to --databases"
+                },
+                "malt_mode": {
+                    "type": "string",
+                    "default": "BlastN",
+                    "fa_icon": "fas fa-check-square",
+                    "description": "Specify which MALT alignment mode to use"
+                },
+                "malt_save_reads": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Turn on saving of MALT-aligned reads"
+                },
+                "malt_generate_megansummary": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Turn on generation of MEGAN summary file from MALT results"
+                },
+                "run_metaphlan3": {
+                    "type": "boolean",
+                    "description": "Turn on profiling with MetaPhlAn3. Requires database to be present CSV file passed to --databases",
+                    "fa_icon": "fas fa-toggle-on"
+                },
+                "run_motus": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on profiling with mOTUs. Requires database to be present CSV file passed to --databases"
+                }
+            },
+            "fa_icon": "fas fa-align-center"
+        },
+        "postprocessing_and_visualisation_options": {
+            "title": "Postprocessing and visualisation options",
+            "type": "object",
+            "description": "",
+            "default": "",
+            "properties": {
+                "run_profile_standardisation": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on standardisation of taxon tables across profilers"
+                },
+                "generate_biom_output": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on generation of BIOM output (currently only applies to mOTUs)"
+                },
+                "run_krona": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on generation of Krona plots for supported profilers"
+                },
+                "krona_taxonomy_directory": {
+                    "type": "string",
+                    "default": "None",
+                    "fa_icon": "fas fa-folder-open",
+                    "description": "Specify path to krona taxonomy directories (required for MALT krona plots)"
+                }
+            },
+            "fa_icon": "fas fa-chart-line"
         },
         "institutional_config_options": {
             "title": "Institutional config options",
@@ -256,272 +613,33 @@
                 }
             }
         },
-        "preprocessing_short_read_qc": {
-            "title": "Preprocessing - Short Read QC",
-            "type": "object",
-            "description": "",
-            "default": "",
-            "properties": {
-                "perform_shortread_qc": {
-                    "type": "boolean"
-                },
-                "shortread_qc_tool": {
-                    "type": "string",
-                    "default": "fastp",
-                    "enum": [
-                        "fastp",
-                        "adapterremoval"
-                    ]
-                },
-                "shortread_qc_skipadaptertrim": {
-                    "type": "boolean"
-                },
-                "shortread_qc_adapter1": {
-                    "type": "string",
-                    "default": "None"
-                },
-                "shortread_qc_adapter2": {
-                    "type": "string",
-                    "default": "None"
-                },
-                "shortread_qc_mergepairs": {
-                    "type": "boolean"
-                },
-                "shortread_qc_excludeunmerged": {
-                    "type": "boolean"
-                },
-                "shortread_qc_minlength": {
-                    "type": "integer",
-                    "default": 15
-                },
-                "perform_shortread_complexityfilter": {
-                    "type": "boolean"
-                },
-                "shortread_complexityfilter_tool": {
-                    "type": "string",
-                    "default": "bbduk",
-                    "enum": [
-                        "bbduk",
-                        "prinseqplusplus",
-                        "fastp"
-                    ]
-                },
-                "shortread_complexityfilter_entropy": {
-                    "type": "number",
-                    "default": 0.3
-                },
-                "shortread_complexityfilter_bbduk_windowsize": {
-                    "type": "integer",
-                    "default": 50
-                },
-                "shortread_complexityfilter_bbduk_mask": {
-                    "type": "boolean"
-                },
-                "shortread_complexityfilter_fastp_threshold": {
-                    "type": "integer",
-                    "default": 30
-                },
-                "shortread_complexityfilter_prinseqplusplus_mode": {
-                    "type": "string",
-                    "default": "entropy",
-                    "enum": [
-                        "entropy",
-                        "dust"
-                    ]
-                },
-                "shortread_complexityfilter_prinseqplusplus_dustscore": {
-                    "type": "number",
-                    "default": 0.5
-                },
-                "save_complexityfiltered_reads": {
-                    "type": "boolean"
-                }
-            }
-        },
-        "profiling": {
-            "title": "Profiling",
+        "reference_genome_options": {
+            "title": "Reference genome options",
             "type": "object",
-            "description": "",
-            "default": "",
+            "fa_icon": "fas fa-dna",
+            "description": "Reference genome related files and options required for the workflow.",
             "properties": {
-                "run_malt": {
-                    "type": "boolean"
-                },
-                "run_diamond": {
-                    "type": "boolean"
-                },
-                "malt_mode": {
-                    "type": "string",
-                    "default": "BlastN"
-                },
-                "kaiju_taxon_name": {
+                "genome": {
                     "type": "string",
-                    "default": "species",
-                    "enum": [
-                        "phylum",
-                        "class",
-                        "order",
-                        "family",
-                        "genus",
-                        "species"
-                    ]
-                },
-                "run_centrifuge": {
-                    "type": "boolean"
+                    "description": "Name of iGenomes reference.",
+                    "fa_icon": "fas fa-book",
+                    "help_text": "If using a reference genome configured in the pipeline using iGenomes, use this parameter to give the ID for the reference. This is then used to build the full paths for all required reference genome files e.g. `--genome GRCh38`. \n\nSee the [nf-core website docs](https://nf-co.re/usage/reference_genomes) for more details.",
+                    "hidden": true
                 },
-                "diamond_output_format": {
+                "igenomes_base": {
                     "type": "string",
-                    "default": "tsv",
-                    "enum": [
-                        "blast",
-                        "xml",
-                        "txt",
-                        "daa",
-                        "sam",
-                        "tsv",
-                        "paf"
-                    ]
-                },
-                "malt_generate_megansummary": {
-                    "type": "boolean"
+                    "format": "directory-path",
+                    "description": "Directory / URL base for iGenomes references.",
+                    "default": "s3://ngi-igenomes/igenomes",
+                    "fa_icon": "fas fa-cloud-download-alt",
+                    "hidden": true
                 },
-                "run_metaphlan3": {
+                "igenomes_ignore": {
                     "type": "boolean",
-                    "description": "Enable MetaPhlAn for taxonomic profiling"
-                },
-                "centrifuge_save_reads": {
-                    "type": "boolean"
-                },
-                "run_kaiju": {
-                    "type": "boolean"
-                },
-                "kraken2_save_reads": {
-                    "type": "boolean"
-                },
-                "diamond_save_reads": {
-                    "type": "boolean"
-                },
-                "malt_save_reads": {
-                    "type": "boolean"
-                },
-                "run_motus": {
-                    "type": "boolean"
-                },
-                "kraken2_save_readclassification": {
-                    "type": "boolean"
-                },
-                "run_kraken2": {
-                    "type": "boolean"
-                }
-            }
-        },
-        "preprocessing_general_qc": {
-            "title": "Preprocessing - General QC",
-            "type": "object",
-            "description": "",
-            "default": "",
-            "properties": {
-                "save_preprocessed_reads": {
-                    "type": "boolean"
-                }
-            }
-        },
-        "preprocessing_long_read_qc": {
-            "title": "Preprocessing - Long Read QC",
-            "type": "object",
-            "description": "",
-            "default": "",
-            "properties": {
-                "perform_longread_qc": {
-                    "type": "boolean"
-                },
-                "longread_qc_run_clip": {
-                    "type": "boolean"
-                },
-                "longread_qc_run_filter": {
-                    "type": "boolean"
-                },
-                "longread_qc_keep_percent": {
-                    "type": "integer",
-                    "default": 90
-                },
-                "longread_qc_target_bases": {
-                    "type": "integer",
-                    "default": 500000000
-                },
-                "longread_qc_minlength": {
-                    "type": "integer",
-                    "default": 1000
-                },
-                "longread_hostremoval_index": {
-                    "type": "string",
-                    "default": "None"
-                }
-            }
-        },
-        "preprocessing_host_removal": {
-            "title": "Preprocessing - Host Removal",
-            "type": "object",
-            "description": "",
-            "default": "",
-            "properties": {
-                "perform_shortread_hostremoval": {
-                    "type": "boolean"
-                },
-                "hostremoval_reference": {
-                    "type": "string",
-                    "default": "None"
-                },
-                "perform_longread_hostremoval": {
-                    "type": "boolean"
-                },
-                "save_hostremoval_mapped": {
-                    "type": "boolean"
-                },
-                "save_hostremoval_index": {
-                    "type": "boolean"
-                },
-                "save_hostremoval_unmapped": {
-                    "type": "boolean"
-                },
-                "shortread_hostremoval_index": {
-                    "type": "string",
-                    "default": "None"
-                }
-            }
-        },
-        "preprocessing_run_merging": {
-            "title": "Preprocessing - Run Merging",
-            "type": "object",
-            "description": "",
-            "default": "",
-            "properties": {
-                "perform_runmerging": {
-                    "type": "boolean"
-                },
-                "save_runmerged_reads": {
-                    "type": "boolean"
-                }
-            }
-        },
-        "postprocessing_and_visualisation": {
-            "title": "Postprocessing and Visualisation",
-            "type": "object",
-            "description": "",
-            "default": "",
-            "properties": {
-                "run_profile_standardisation": {
-                    "type": "boolean"
-                },
-                "krona_taxonomy_directory": {
-                    "type": "string",
-                    "default": "None"
-                },
-                "run_krona": {
-                    "type": "boolean"
-                },
-                "generate_biom_output": {
-                    "type": "boolean"
+                    "description": "Do not load the iGenomes reference config.",
+                    "fa_icon": "fas fa-ban",
+                    "hidden": true,
+                    "help_text": "Do not load `igenomes.config` when running the pipeline. You may choose this option if you observe clashes between custom parameters and those supplied in `igenomes.config`."
                 }
             }
         }
@@ -531,37 +649,37 @@
             "$ref": "#/definitions/input_output_options"
         },
         {
-            "$ref": "#/definitions/reference_genome_options"
+            "$ref": "#/definitions/preprocessing_general_qc_options"
         },
         {
-            "$ref": "#/definitions/institutional_config_options"
+            "$ref": "#/definitions/preprocessing_short_read_qc_options"
         },
         {
-            "$ref": "#/definitions/max_job_request_options"
+            "$ref": "#/definitions/preprocessing_long_read_qc_options"
         },
         {
-            "$ref": "#/definitions/generic_options"
+            "$ref": "#/definitions/preprocessing_host_removal_options"
         },
         {
-            "$ref": "#/definitions/preprocessing_short_read_qc"
+            "$ref": "#/definitions/preprocessing_run_merging_options"
         },
         {
-            "$ref": "#/definitions/profiling"
+            "$ref": "#/definitions/profiling_options"
         },
         {
-            "$ref": "#/definitions/preprocessing_general_qc"
+            "$ref": "#/definitions/postprocessing_and_visualisation_options"
         },
         {
-            "$ref": "#/definitions/preprocessing_long_read_qc"
+            "$ref": "#/definitions/institutional_config_options"
         },
         {
-            "$ref": "#/definitions/preprocessing_host_removal"
+            "$ref": "#/definitions/max_job_request_options"
         },
         {
-            "$ref": "#/definitions/preprocessing_run_merging"
+            "$ref": "#/definitions/generic_options"
         },
         {
-            "$ref": "#/definitions/postprocessing_and_visualisation"
+            "$ref": "#/definitions/reference_genome_options"
         }
     ]
 }
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index a9fe76d..61aa394 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -185,7 +185,7 @@ workflow PROFILING {
                             }
 
         KAIJU_KAIJU ( ch_input_for_kaiju.reads, ch_input_for_kaiju.db)
-        KAIJU_KAIJU2TABLE (KAIJU_KAIJU.out.results, ch_input_for_kaiju.db, params.kaiju_taxon_name)
+        KAIJU_KAIJU2TABLE (KAIJU_KAIJU.out.results, ch_input_for_kaiju.db, params.kaiju_taxon_rank)
         ch_multiqc_files = ch_multiqc_files.mix( KAIJU_KAIJU2TABLE.out.summary )
         ch_versions = ch_versions.mix( KAIJU_KAIJU.out.versions.first() )
         ch_raw_classifications = ch_raw_classifications.mix( KAIJU_KAIJU.out.results )
@@ -209,7 +209,7 @@ workflow PROFILING {
         DIAMOND_BLASTX ( ch_input_for_diamond.reads, ch_input_for_diamond.db, ch_diamond_reads_format , [] )
         ch_versions        = ch_versions.mix( DIAMOND_BLASTX.out.versions.first() )
         ch_raw_profiles    = ch_raw_profiles.mix( DIAMOND_BLASTX.out.tsv )
-        ch_multiqc_files   = ch_multiqc_files.mix( DIAMOND_BLASTX.out.log ) 
+        ch_multiqc_files   = ch_multiqc_files.mix( DIAMOND_BLASTX.out.log )
 
     }
 

From 2cc07183a0bfe666b2ba2c12728e5a9755f8ea30 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 30 Aug 2022 13:58:58 +0200
Subject: [PATCH 309/789] Standardise QC parameter  system and turn on both
 porechop/filtlong in tests

---
 conf/modules.config                          |  6 +++---
 conf/test.config                             |  3 +++
 conf/test_noprofiling.config                 |  3 +++
 nextflow.config                              | 12 ++++++------
 nextflow_schema.json                         | 10 +++++-----
 subworkflows/local/longread_preprocessing.nf |  4 ++--
 workflows/taxprofiler.nf                     |  2 +-
 7 files changed, 23 insertions(+), 17 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 1f4914d..43f7ebb 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -136,9 +136,9 @@ process {
 
     withName: FILTLONG {
         ext.args = [
-            "--min_length ${params.longread_qc_minlength}",
-            "--keep_percent ${params.longread_qc_keep_percent}",
-            "--target_bases ${params.longread_qc_target_bases}"
+            "--min_length ${params.longread_qc_qualityfilter_minlength}",
+            "--keep_percent ${params.longread_qc_qualityfilter_keeppercent}",
+            "--target_bases ${params.longread_qc_qualityfilter_targetbases}"
         ]
         .join(' ').trim()
         ext.prefix = { "${meta.id}_${meta.run_accession}_filtered" }
diff --git a/conf/test.config b/conf/test.config
index 6aaf058..5ea319a 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -26,6 +26,9 @@ params {
     databases                             = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
     perform_shortread_qc                  = true
     perform_longread_qc                   = true
+    shortread_qc_mergepairs               = true
+    longread_qc_skipadaptertrim           = false
+    longread_qc_qualityfilter             = true
     perform_shortread_complexityfilter    = true
     perform_shortread_hostremoval         = true
     perform_longread_hostremoval          = true
diff --git a/conf/test_noprofiling.config b/conf/test_noprofiling.config
index 86d8e70..0b3e9ce 100644
--- a/conf/test_noprofiling.config
+++ b/conf/test_noprofiling.config
@@ -26,6 +26,9 @@ params {
     databases                             = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
     perform_shortread_qc                  = true
     perform_longread_qc                   = true
+    shortread_qc_mergepairs               = true
+    longread_qc_skipadaptertrim           = false
+    longread_qc_qualityfilter             = true
     perform_shortread_complexityfilter    = true
     perform_shortread_hostremoval         = true
     perform_longread_hostremoval          = true
diff --git a/nextflow.config b/nextflow.config
index 4a83031..d188dbc 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -64,12 +64,12 @@ params {
     shortread_qc_adapter2            = null
     shortread_qc_minlength           = 15
 
-    perform_longread_qc              = false
-    longread_qc_run_clip             = false
-    longread_qc_run_filter           = false
-    longread_qc_minlength            = 1000
-    longread_qc_keep_percent        = 90
-    longread_qc_target_bases         = 500000000
+    perform_longread_qc                   = false
+    longread_qc_skipadaptertrim           = false
+    longread_qc_qualityfilter             = false
+    longread_qc_qualityfilter_minlength   = 1000
+    longread_qc_qualityfilter_keeppercent = 90
+    longread_qc_qualityfilter_targetbases = 500000000
 
     save_preprocessed_reads          = false
 
diff --git a/nextflow_schema.json b/nextflow_schema.json
index b4cb837..ae8b694 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -404,21 +404,21 @@
             "type": "integer",
             "default": 30
         },
-        "longread_qc_run_clip": {
+        "longread_qc_skipadaptertrim": {
             "type": "boolean"
         },
-        "longread_qc_run_filter": {
+        "longread_qc_qualityfilter": {
             "type": "boolean"
         },
-        "longread_qc_minlength": {
+        "longread_qc_qualityfilter_minlength": {
             "type": "integer",
             "default": 1000
         },
-        "longread_qc_keep_percent": {
+        "longread_qc_qualityfilter_keeppercent": {
             "type": "integer",
             "default": 90
         },
-        "longread_qc_target_bases": {
+        "longread_qc_qualityfilter_targetbases": {
             "type": "integer",
             "default": 500000000
         },
diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf
index 3464167..9d72a6b 100644
--- a/subworkflows/local/longread_preprocessing.nf
+++ b/subworkflows/local/longread_preprocessing.nf
@@ -14,7 +14,7 @@ workflow LONGREAD_PREPROCESSING {
     ch_versions      = Channel.empty()
     ch_multiqc_files = Channel.empty()
 
-    if ( params.longread_qc_run_clip && !params.longread_qc_run_filter ) {
+    if ( !params.longread_qc_skipadaptertrim && !params.longread_qc_qualityfilter ) {
         PORECHOP ( reads )
 
         ch_processed_reads = PORECHOP.out.reads
@@ -28,7 +28,7 @@ workflow LONGREAD_PREPROCESSING {
         ch_versions = ch_versions.mix(PORECHOP.out.versions.first())
         ch_multiqc_files = ch_multiqc_files.mix( PORECHOP.out.log )
 
-    } else if ( !params.longread_qc_run_clip && params.longread_qc_run_filter ) {
+    } else if ( params.longread_qc_skipadaptertrim && params.longread_qc_qualityfilter ) {
 
         ch_processed_reads = FILTLONG ( reads.map{ meta, reads -> [meta, [], reads ]} )
         ch_versions = ch_versions.mix(FILTLONG.out.versions.first())
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index b6f3a37..500eab3 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -22,7 +22,7 @@ if (params.databases) { ch_databases = file(params.databases) } else { exit 1, '
 
 if (params.shortread_qc_mergepairs && params.run_malt ) log.warn "[nf-core/taxprofiler] MALT does not accept uncollapsed paired-reads. Pairs will be profiled as separate files."
 if (params.shortread_qc_excludeunmerged && !params.shortread_qc_mergepairs) exit 1, "ERROR: [nf-core/taxprofiler] cannot include unmerged reads when merging not turned on. Please specify --shortread_qc_mergepairs"
-if ( (params.longread_qc_run_clip || params.longread_qc_run_filter) & !params.perform_longread_qc ) exit 1, "ERROR: [nf-core/taxprofiler] --longread_qc_run_clip or --longread_qc_run_filter requested but quality-control not turned on. Please specify --perform_long_qc"
+if ( (!params.longread_qc_skipadaptertrim || params.longread_qc_qualityfilter) & !params.perform_longread_qc ) exit 1, "ERROR: [nf-core/taxprofiler] --longread_qc_skipadaptertrim false or --longread_qc_qualityfilter requested but quality-control not turned on. Please specify --perform_long_qc"
 
 if (params.shortread_complexityfilter_tool == 'fastp' && ( params.perform_shortread_qc == false || params.shortread_qc_tool != 'fastp' ))  exit 1, "ERROR: [nf-core/taxprofiler] cannot use fastp complexity filtering if preprocessing not turned on and/or tool is not fastp. Please specify --perform_shortread_qc and/or --shortread_qc_tool 'fastp'"
 

From 95ad3801733773bae9e43e584a4c6a5180b84a3f Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 30 Aug 2022 14:01:52 +0200
Subject: [PATCH 310/789] Turn of length filtering by default for short read
 (to match opt in for longread qc)

---
 nextflow.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/nextflow.config b/nextflow.config
index d188dbc..700beef 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -62,7 +62,7 @@ params {
     shortread_qc_excludeunmerged     = false
     shortread_qc_adapter1            = null
     shortread_qc_adapter2            = null
-    shortread_qc_minlength           = 15
+    shortread_qc_minlength           = 0
 
     perform_longread_qc                   = false
     longread_qc_skipadaptertrim           = false

From afba604e8b54496298d3abdec96bfb615670f854 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 30 Aug 2022 14:04:34 +0200
Subject: [PATCH 311/789] Make everything within opt-out, once QC is opted-in

---
 conf/test.config             | 2 --
 conf/test_noprofiling.config | 2 --
 nextflow.config              | 6 +++---
 3 files changed, 3 insertions(+), 7 deletions(-)

diff --git a/conf/test.config b/conf/test.config
index 5ea319a..dac0e81 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -27,8 +27,6 @@ params {
     perform_shortread_qc                  = true
     perform_longread_qc                   = true
     shortread_qc_mergepairs               = true
-    longread_qc_skipadaptertrim           = false
-    longread_qc_qualityfilter             = true
     perform_shortread_complexityfilter    = true
     perform_shortread_hostremoval         = true
     perform_longread_hostremoval          = true
diff --git a/conf/test_noprofiling.config b/conf/test_noprofiling.config
index 0b3e9ce..12c7185 100644
--- a/conf/test_noprofiling.config
+++ b/conf/test_noprofiling.config
@@ -27,8 +27,6 @@ params {
     perform_shortread_qc                  = true
     perform_longread_qc                   = true
     shortread_qc_mergepairs               = true
-    longread_qc_skipadaptertrim           = false
-    longread_qc_qualityfilter             = true
     perform_shortread_complexityfilter    = true
     perform_shortread_hostremoval         = true
     perform_longread_hostremoval          = true
diff --git a/nextflow.config b/nextflow.config
index 700beef..087c879 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -58,15 +58,15 @@ params {
     perform_shortread_qc             = false
     shortread_qc_tool                = 'fastp'
     shortread_qc_skipadaptertrim     = false
-    shortread_qc_mergepairs          = false
+    shortread_qc_mergepairs          = true
     shortread_qc_excludeunmerged     = false
     shortread_qc_adapter1            = null
     shortread_qc_adapter2            = null
-    shortread_qc_minlength           = 0
+    shortread_qc_minlength           = 15
 
     perform_longread_qc                   = false
     longread_qc_skipadaptertrim           = false
-    longread_qc_qualityfilter             = false
+    longread_qc_qualityfilter             = true
     longread_qc_qualityfilter_minlength   = 1000
     longread_qc_qualityfilter_keeppercent = 90
     longread_qc_qualityfilter_targetbases = 500000000

From 3f8f32cba8a8811946f692413ae3794e9d1ae2f4 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 30 Aug 2022 14:08:05 +0200
Subject: [PATCH 312/789] Make longread quality ftilering opt out

---
 nextflow.config                              | 2 +-
 nextflow_schema.json                         | 8 ++++----
 subworkflows/local/longread_preprocessing.nf | 4 ++--
 workflows/taxprofiler.nf                     | 2 +-
 4 files changed, 8 insertions(+), 8 deletions(-)

diff --git a/nextflow.config b/nextflow.config
index 087c879..4ed3ecb 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -66,7 +66,7 @@ params {
 
     perform_longread_qc                   = false
     longread_qc_skipadaptertrim           = false
-    longread_qc_qualityfilter             = true
+    longread_qc_skipqualityfilter         = true
     longread_qc_qualityfilter_minlength   = 1000
     longread_qc_qualityfilter_keeppercent = 90
     longread_qc_qualityfilter_targetbases = 500000000
diff --git a/nextflow_schema.json b/nextflow_schema.json
index ae8b694..64c64f0 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -407,18 +407,18 @@
         "longread_qc_skipadaptertrim": {
             "type": "boolean"
         },
-        "longread_qc_qualityfilter": {
+        "longread_qc_skipqualityfilter": {
             "type": "boolean"
         },
-        "longread_qc_qualityfilter_minlength": {
+        "longread_qc_skipqualityfilter_minlength": {
             "type": "integer",
             "default": 1000
         },
-        "longread_qc_qualityfilter_keeppercent": {
+        "longread_qc_skipqualityfilter_keeppercent": {
             "type": "integer",
             "default": 90
         },
-        "longread_qc_qualityfilter_targetbases": {
+        "longread_qc_skipqualityfilter_targetbases": {
             "type": "integer",
             "default": 500000000
         },
diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf
index 9d72a6b..c04207e 100644
--- a/subworkflows/local/longread_preprocessing.nf
+++ b/subworkflows/local/longread_preprocessing.nf
@@ -14,7 +14,7 @@ workflow LONGREAD_PREPROCESSING {
     ch_versions      = Channel.empty()
     ch_multiqc_files = Channel.empty()
 
-    if ( !params.longread_qc_skipadaptertrim && !params.longread_qc_qualityfilter ) {
+    if ( !params.longread_qc_skipadaptertrim && params.longread_qc_skipqualityfilter) {
         PORECHOP ( reads )
 
         ch_processed_reads = PORECHOP.out.reads
@@ -28,7 +28,7 @@ workflow LONGREAD_PREPROCESSING {
         ch_versions = ch_versions.mix(PORECHOP.out.versions.first())
         ch_multiqc_files = ch_multiqc_files.mix( PORECHOP.out.log )
 
-    } else if ( params.longread_qc_skipadaptertrim && params.longread_qc_qualityfilter ) {
+    } else if ( params.longread_qc_skipadaptertrim && !params.longread_qc_skipqualityfilter) {
 
         ch_processed_reads = FILTLONG ( reads.map{ meta, reads -> [meta, [], reads ]} )
         ch_versions = ch_versions.mix(FILTLONG.out.versions.first())
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 500eab3..4744af5 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -22,7 +22,7 @@ if (params.databases) { ch_databases = file(params.databases) } else { exit 1, '
 
 if (params.shortread_qc_mergepairs && params.run_malt ) log.warn "[nf-core/taxprofiler] MALT does not accept uncollapsed paired-reads. Pairs will be profiled as separate files."
 if (params.shortread_qc_excludeunmerged && !params.shortread_qc_mergepairs) exit 1, "ERROR: [nf-core/taxprofiler] cannot include unmerged reads when merging not turned on. Please specify --shortread_qc_mergepairs"
-if ( (!params.longread_qc_skipadaptertrim || params.longread_qc_qualityfilter) & !params.perform_longread_qc ) exit 1, "ERROR: [nf-core/taxprofiler] --longread_qc_skipadaptertrim false or --longread_qc_qualityfilter requested but quality-control not turned on. Please specify --perform_long_qc"
+if ( (!params.longread_qc_skipadaptertrim || !params.longread_qc_skipqualityfilter) & !params.perform_longread_qc ) exit 1, "ERROR: [nf-core/taxprofiler] --longread_qc_skipadaptertrim false or --longread_qc_skipqualityfilterrequested but quality-control not turned on. Please specify --perform_long_qc"
 
 if (params.shortread_complexityfilter_tool == 'fastp' && ( params.perform_shortread_qc == false || params.shortread_qc_tool != 'fastp' ))  exit 1, "ERROR: [nf-core/taxprofiler] cannot use fastp complexity filtering if preprocessing not turned on and/or tool is not fastp. Please specify --perform_shortread_qc and/or --shortread_qc_tool 'fastp'"
 

From 8917e29e3560e828f73b5c7d0c6975051fc879d6 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 30 Aug 2022 14:11:48 +0200
Subject: [PATCH 313/789] Fix accidental overly zelous search-and-replace

---
 nextflow_schema.json     | 6 +++---
 workflows/taxprofiler.nf | 2 +-
 2 files changed, 4 insertions(+), 4 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 64c64f0..965908f 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -410,15 +410,15 @@
         "longread_qc_skipqualityfilter": {
             "type": "boolean"
         },
-        "longread_qc_skipqualityfilter_minlength": {
+        "longread_qc_qualityfilter_minlength": {
             "type": "integer",
             "default": 1000
         },
-        "longread_qc_skipqualityfilter_keeppercent": {
+        "longread_qc_qualityfilter_keeppercent": {
             "type": "integer",
             "default": 90
         },
-        "longread_qc_skipqualityfilter_targetbases": {
+        "longread_qc_qualityfilter_targetbases": {
             "type": "integer",
             "default": 500000000
         },
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 4744af5..731e69d 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -22,7 +22,7 @@ if (params.databases) { ch_databases = file(params.databases) } else { exit 1, '
 
 if (params.shortread_qc_mergepairs && params.run_malt ) log.warn "[nf-core/taxprofiler] MALT does not accept uncollapsed paired-reads. Pairs will be profiled as separate files."
 if (params.shortread_qc_excludeunmerged && !params.shortread_qc_mergepairs) exit 1, "ERROR: [nf-core/taxprofiler] cannot include unmerged reads when merging not turned on. Please specify --shortread_qc_mergepairs"
-if ( (!params.longread_qc_skipadaptertrim || !params.longread_qc_skipqualityfilter) & !params.perform_longread_qc ) exit 1, "ERROR: [nf-core/taxprofiler] --longread_qc_skipadaptertrim false or --longread_qc_skipqualityfilterrequested but quality-control not turned on. Please specify --perform_long_qc"
+if ( (!params.longread_qc_skipadaptertrim || !params.longread_qc_skipqualityfilter) & !params.perform_longread_qc ) exit 1, "ERROR: [nf-core/taxprofiler] --longread_qc_skipadaptertrim false or --longread_qc_skipqualityfilter requested but quality-control not turned on. Please specify --perform_long_qc"
 
 if (params.shortread_complexityfilter_tool == 'fastp' && ( params.perform_shortread_qc == false || params.shortread_qc_tool != 'fastp' ))  exit 1, "ERROR: [nf-core/taxprofiler] cannot use fastp complexity filtering if preprocessing not turned on and/or tool is not fastp. Please specify --perform_shortread_qc and/or --shortread_qc_tool 'fastp'"
 

From 5552c264b9b563ed354d5ae7bbc492b5db583c7e Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 30 Aug 2022 14:14:01 +0200
Subject: [PATCH 314/789] Remove now unnecessary input validation

---
 workflows/taxprofiler.nf | 1 -
 1 file changed, 1 deletion(-)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 731e69d..2bd6c01 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -22,7 +22,6 @@ if (params.databases) { ch_databases = file(params.databases) } else { exit 1, '
 
 if (params.shortread_qc_mergepairs && params.run_malt ) log.warn "[nf-core/taxprofiler] MALT does not accept uncollapsed paired-reads. Pairs will be profiled as separate files."
 if (params.shortread_qc_excludeunmerged && !params.shortread_qc_mergepairs) exit 1, "ERROR: [nf-core/taxprofiler] cannot include unmerged reads when merging not turned on. Please specify --shortread_qc_mergepairs"
-if ( (!params.longread_qc_skipadaptertrim || !params.longread_qc_skipqualityfilter) & !params.perform_longread_qc ) exit 1, "ERROR: [nf-core/taxprofiler] --longread_qc_skipadaptertrim false or --longread_qc_skipqualityfilter requested but quality-control not turned on. Please specify --perform_long_qc"
 
 if (params.shortread_complexityfilter_tool == 'fastp' && ( params.perform_shortread_qc == false || params.shortread_qc_tool != 'fastp' ))  exit 1, "ERROR: [nf-core/taxprofiler] cannot use fastp complexity filtering if preprocessing not turned on and/or tool is not fastp. Please specify --perform_shortread_qc and/or --shortread_qc_tool 'fastp'"
 

From f393d1fe91849f7d731fb935efdb7307d4135bfc Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Tue, 30 Aug 2022 14:21:20 +0200
Subject: [PATCH 315/789] Update nextflow.config

---
 nextflow.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/nextflow.config b/nextflow.config
index 4ed3ecb..1fed9b3 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -66,7 +66,7 @@ params {
 
     perform_longread_qc                   = false
     longread_qc_skipadaptertrim           = false
-    longread_qc_skipqualityfilter         = true
+    longread_qc_skipqualityfilter         = false
     longread_qc_qualityfilter_minlength   = 1000
     longread_qc_qualityfilter_keeppercent = 90
     longread_qc_qualityfilter_targetbases = 500000000

From c2eaa3f6b04464b4ec966c95ac9b901791382f83 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 30 Aug 2022 14:33:40 +0200
Subject: [PATCH 316/789] Prettier

---
 nextflow_schema.json | 41 +++++++++++++++++++++--------------------
 1 file changed, 21 insertions(+), 20 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index cc85806..1da56b7 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -74,7 +74,8 @@
                 "perform_shortread_qc": {
                     "type": "boolean",
                     "fa_icon": "fas fa-toggle-on",
-                    "description": "Turns on short read quality control steps (adapter clipping, complexity filtering etc.)"
+                    "description": "Turns on short read quality control steps (adapter clipping, complexity filtering etc.)",
+                    "help_text": ""
                 },
                 "shortread_qc_tool": {
                     "type": "string",
@@ -114,7 +115,7 @@
                     "type": "integer",
                     "default": 15,
                     "fa_icon": "fas fa-ruler-horizontal",
-                    "description": "Specify the minimum length of reads"
+                    "description": "Specify the minimum length of reads to be retained"
                 },
                 "perform_shortread_complexityfilter": {
                     "type": "boolean",
@@ -183,33 +184,33 @@
                     "fa_icon": "fas fa-toggle-on",
                     "description": "Turns on long read quality control steps (adapter clipping, length filtering etc.)"
                 },
-                "longread_qc_run_clip": {
+                "longread_qc_skipadaptertrim": {
                     "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on long-read adapter clipping"
+                    "description": "Skip long-read trimming",
+                    "fa_icon": "fas fa-forward"
                 },
-                "longread_qc_run_filter": {
+                "longread_qc_skipqualityfilter": {
                     "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on Filtlong long-read length filtering"
+                    "description": "Skip long-read length and quality filtering",
+                    "fa_icon": "fas fa-forward"
                 },
-                "longread_qc_keep_percent": {
+                "longread_qc_qualityfilter_minlength": {
                     "type": "integer",
-                    "default": 90,
-                    "fa_icon": "fas fa-percent",
-                    "description": "Specify minimum percentage of high-quality reads to keep during filtering"
+                    "default": 1000,
+                    "description": "Specify the minimum length of reads to be retained",
+                    "fa_icon": "fas fa-ruler-horizontal"
                 },
-                "longread_qc_target_bases": {
+                "longread_qc_qualityfilter_keeppercent": {
                     "type": "integer",
-                    "default": 500000000,
-                    "fa_icon": "fas fa-bullseye",
-                    "description": "Specify the target number of high-quality bases to retain overall during filtering"
+                    "default": 90,
+                    "description": "Specify the percent of high-quality reads to be retained",
+                    "fa_icon": "fas fa-percentage"
                 },
-                "longread_qc_minlength": {
+                "longread_qc_qualityfilter_targetbases": {
                     "type": "integer",
-                    "default": 1000,
-                    "fa_icon": "fas fa-ruler-horizontal",
-                    "description": "Specify the minimum length of long-reads to retain during filtering"
+                    "default": 500000000,
+                    "description": "Specify the minimum number of high-quality bases in the library to be retained",
+                    "fa_icon": "fas fa-bullseye"
                 }
             },
             "fa_icon": "fas fa-expand-alt"

From bdcae4f934c9862c86911fb26ba6010859e04e56 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 30 Aug 2022 16:04:05 +0200
Subject: [PATCH 317/789] More docs and tweat to usage.md

---
 docs/usage.md        |   2 +-
 nextflow_schema.json | 148 +++++++++++++++++++++++++++++++------------
 2 files changed, 108 insertions(+), 42 deletions(-)

diff --git a/docs/usage.md b/docs/usage.md
index 1bcd235..1ee7bd0 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -207,7 +207,7 @@ Similarly to complexity filtering, host-removal can be useful for runtime optimi
 
 nf-core/taxprofiler currently offers host-removal via alignment against a reference genome with Bowtie2, and the use of the unaligned reads for downstream profiling.
 
-You can supply your reference genome in FASTA format with `--hostremoval_reference`. You can also optionally supply a directory containing pre-indexed Bowtie2 index files with `--shortread_hostremoval_index` or `--longread_hostremoval_index`, however nf-core/taxprofiler will generate this for you if necessary. Pre-supplying the directory of index files can greatly speed up the process, and these can be re-used.
+You can supply your reference genome in FASTA format with `--hostremoval_reference`. You can also optionally supply a directory containing pre-indexed Bowtie2 index files with `--shortread_hostremoval_index` or a minimap2 `.mmi` file for `--longread_hostremoval_index`, however nf-core/taxprofiler will generate these for you if necessary. Pre-supplying the index directory or files can greatly speed up the process, and these can be re-used.
 
 > 💡 If you have multiple taxa or sequences you wish to remove (e.g., the host genome and then also PhiX - common quality-control reagent during sequencing) you can simply concatenate the FASTAs of each taxa or sequences into a single reference file.
 
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 1da56b7..33ebb36 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,7 +10,11 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["input", "databases", "outdir"],
+            "required": [
+                "input",
+                "databases",
+                "outdir"
+            ],
             "properties": {
                 "input": {
                     "type": "string",
@@ -60,7 +64,7 @@
                     "type": "boolean",
                     "fa_icon": "fas fa-save",
                     "description": "Save reads from adapter clipping/pair-merging, length filtering for both short and long reads",
-                    "help_text": "This saves the FASTQ output from the following tools:\n\n- FastP\n- AdapterRemoval\n- PoreChop\n- FiltLong\n\nThese reads will be a mixture of: adapter clipped, quality trimmed, pair-merged, and length filtered, depending on the parameters you set."
+                    "help_text": "This saves the FASTQ output from the following tools:\n\n- fastp\n- AdapterRemoval\n- PoreChop\n- FiltLong\n\nThese reads will be a mixture of: adapter clipped, quality trimmed, pair-merged, and length filtered, depending on the parameters you set."
                 }
             },
             "fa_icon": "fas fa-users-cog"
@@ -75,57 +79,72 @@
                     "type": "boolean",
                     "fa_icon": "fas fa-toggle-on",
                     "description": "Turns on short read quality control steps (adapter clipping, complexity filtering etc.)",
-                    "help_text": ""
+                    "help_text": "Turns on short read quality control steps (adapter clipping, complexity filtering etc.)\n\nThis subworkflow can perform:\n\n- Adapter removal\n- Read quality trimming\n- Read pair merging\n- Length filtering\n- Complexity filtering\n\nEither with fastp or AdapterRemoval.\n\nRemoving adapters (if present) is recommend to reduce false-postive hits that may occur from 'dirty' or 'contaminated' reference genomes in a profiling database that contain accidentially incorporated adapter sequences. Note that some, but not all, tools support paired-end alignment (utilising information about the insert covered by the pairs). However read pair merging in some cases can be recommend to increase read length (such as in aDNA). Length filtering, and/or complexity can speed up alignment by reducing the number of short unspecific reads that need to be aligned."
                 },
                 "shortread_qc_tool": {
                     "type": "string",
                     "default": "fastp",
-                    "enum": ["fastp", "adapterremoval"],
+                    "enum": [
+                        "fastp",
+                        "adapterremoval"
+                    ],
                     "fa_icon": "fas fa-tools",
-                    "description": "Specify which tool to use for read QC"
+                    "description": "Specify which tool to use for short-read QC"
                 },
                 "shortread_qc_skipadaptertrim": {
                     "type": "boolean",
                     "fa_icon": "fas fa-forward",
-                    "description": "Skip adapter trimming"
+                    "description": "Skip adapter trimming",
+                    "help_text": "Skip the removal of sequencing adapters. \n\nThis often can be useful to speed up run-time of the pipeline when analysing data downloaded from public databases such as the ENA or SRA, as adapters should already be removed (however we recommend to check FastQC results to ensure this is the case)."
                 },
                 "shortread_qc_adapter1": {
                     "type": "string",
                     "default": "None",
                     "fa_icon": "fas fa-grip-lines",
-                    "description": "Specify adapter 1 nucleotide sequence"
+                    "description": "Specify adapter 1 nucleotide sequence",
+                    "help_text": "Specify a custom forward or R1 adapter sequence to be removed off of reads. \n\nIf not set, the selected short-read QC tool's defaults will be used.\n\n> Modifies tool parameter(s):\n> - fastp parameter `--adapter_sequence`. fastp default: `AGATCGGAAGAGCACACGTCTGAACTCCAGTCA`\n> - AdapterRemoval `--adapter1`. AdapteRemoval2 default: `AGATCGGAAGAGCACACGTCTGAACTCCAGTCACNNNNNNATCTCGTATGCCGTCTTCTGCTTG`"
                 },
                 "shortread_qc_adapter2": {
                     "type": "string",
                     "default": "None",
                     "fa_icon": "fas fa-grip-lines",
-                    "description": "Specify adapter 2 nucleotide sequence"
+                    "description": "Specify adapter 2 nucleotide sequence",
+                    "help_text": "Specify a custom reverse or R2 adapter sequence to be removed off of reads. \n\nIf not set, the selected short-read QC tool's defaults will be used.\n\n> Modifies tool parameter(s):\n> - fastp parameter `--adapter_sequence`. fastp default: `AGATCGGAAGAGCGTCGTGTAGGGAAAGAGTGT`\n> - AdapterRemoval `--adapter1`. AdapteRemoval2 default: `AGATCGGAAGAGCGTCGTGTAGGGAAAGAGTGTAGATCTCGGTGGTCGCCGTATCATT`"
                 },
                 "shortread_qc_mergepairs": {
                     "type": "boolean",
                     "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on merging of read pairs for paired-end data"
+                    "description": "Turn on merging of read pairs for paired-end data",
+                    "default": true,
+                    "help_text": "Turn on the merging of read-pairs of paired-end short read sequencing data for AdapterRemoval (this is performed automatically with fastp).\n\n> Modifies tool parameter(s):\n> - AdapterRemoval: `--collapse`\n"
                 },
                 "shortread_qc_excludeunmerged": {
                     "type": "boolean",
                     "fa_icon": "far fa-times-circle",
-                    "description": "Discard unmerged reads from paired-end merging"
+                    "description": "Discard unmerged reads from paired-end merging",
+                    "help_text": "Turns off the inclusion of unmerged reads in resulting processing FASTQ file of paired-end sequencing data when using `fastp`.\n\nThis can be useful in cases where you prefer to have very short reads (e.g. aDNA), thus excluding longer-reads or possibly faulty reads where one of the pair was discarded.\n\n> Modifies tool parameter(s):\n> - fastp: `--include_unmerged`\n"
                 },
                 "shortread_qc_minlength": {
                     "type": "integer",
                     "default": 15,
                     "fa_icon": "fas fa-ruler-horizontal",
-                    "description": "Specify the minimum length of reads to be retained"
+                    "description": "Specify the minimum length of reads to be retained",
+                    "help_text": "Specifying a mimum read length filtering can speed up profiling by reducing the number of short unspecific reads that need to be match/aligned to the database.\n\n> Modifies tool parameter(s):\n> - fastp: `--length_required`\n> - AdapterRemoval: `--minlength`"
                 },
                 "perform_shortread_complexityfilter": {
                     "type": "boolean",
                     "fa_icon": "fas fa-toggle-on",
-                    "description": "Turns on nucleotide sequence complexity filtering"
+                    "description": "Turns on nucleotide sequence complexity filtering",
+                    "help_text": "Turns on sequencing complexity filtering. Complexity filtering can be useful to increase run-time by removing unspecific read sequences that do not provide any informative taxon ID."
                 },
                 "shortread_complexityfilter_tool": {
                     "type": "string",
                     "default": "bbduk",
-                    "enum": ["bbduk", "prinseqplusplus", "fastp"],
+                    "enum": [
+                        "bbduk",
+                        "prinseqplusplus",
+                        "fastp"
+                    ],
                     "fa_icon": "fas fa-hammer",
                     "description": "Specify which tool to use for complexity filtering"
                 },
@@ -133,29 +152,36 @@
                     "type": "number",
                     "default": 0.3,
                     "fa_icon": "fas fa-random",
-                    "description": "Specify the minimum sequence entropy level for complexity filtering"
+                    "description": "Specify the minimum sequence entropy level for complexity filtering",
+                    "help_text": "Specify the minimum 'entropy' value for complexity filtering for BBDuk or PRINSEQ++.\n\nNote that this value will only be used for PRINSEQ++ if `--shortread_complexityfilter_prinseqplusplus_mode` is set to `entropy`.\n\nEntropy here corresponds to the amount of sequence variation exists within the read. Higher values correspond to more variety, and thus will likely reslut in more specific matching to a taxon's reference genome. The trade off here is fewer reads (or abundance information) available for having a confident identification.\n\n\n> Modifies tool parameter(s):\n> - BBDuk: `entropy=`\n> - PRINSEQ++:  `-lc_entropy`\n\n"
                 },
                 "shortread_complexityfilter_bbduk_windowsize": {
                     "type": "integer",
                     "default": 50,
                     "fa_icon": "far fa-window-maximize",
-                    "description": "Specify the window size for BBDuk complexity filtering"
+                    "description": "Specify the window size for BBDuk complexity filtering",
+                    "help_text": "Specify the window size to calculate the level entropy within for BBDuk.\n\n> Modifies tool parameter(s):\n> - BBDuk: `entropywindow=`"
                 },
                 "shortread_complexityfilter_bbduk_mask": {
                     "type": "boolean",
                     "fa_icon": "fas fa-mask",
-                    "description": "Turn on masking rather than discarding of low complexity reads for BBduk"
+                    "description": "Turn on masking rather than discarding of low complexity reads for BBduk",
+                    "help_text": "Turn on masking of low-complexity reads (i.e., replacement with `N`) rather than removal.\n\n> Modfies:\n> - BBDuk: `entropymask=`"
                 },
                 "shortread_complexityfilter_fastp_threshold": {
                     "type": "integer",
                     "default": 30,
                     "fa_icon": "fas fa-sort-numeric-down",
-                    "description": "Specify the minimum complexity filter threshold of Fastp"
+                    "description": "Specify the minimum complexity filter threshold of fastp",
+                    "help_text": "Specify the minimum sequence complexity value for fastp. This value corresponds to the percentage of bases that is different from it's adjacent bases.\n\n> Modifies tool parameter(s):\n> - fastp: `--complexity_threshold`"
                 },
                 "shortread_complexityfilter_prinseqplusplus_mode": {
                     "type": "string",
                     "default": "entropy",
-                    "enum": ["entropy", "dust"],
+                    "enum": [
+                        "entropy",
+                        "dust"
+                    ],
                     "fa_icon": "fas fa-check-square",
                     "description": "Specify the complexity filter mode for PRINSEQ++"
                 },
@@ -163,12 +189,14 @@
                     "type": "number",
                     "default": 0.5,
                     "fa_icon": "fas fa-head-side-mask",
-                    "description": "Specify the minimum dust score for PRINTSEQ++ complexity filtering"
+                    "description": "Specify the minimum dust score for PRINTSEQ++ complexity filtering",
+                    "help_text": "Specify the minimum dust score below which low-complexity reads will be removed. A DUST score is based on how often different tri-nucleotides occur along a read.\n\n> Modifies tool parameter(s):\n> - PRINSEQ++: `--lc_dust`"
                 },
                 "save_complexityfiltered_reads": {
                     "type": "boolean",
                     "fa_icon": "fas fa-save",
-                    "description": "Save complexity filtered short-reads"
+                    "description": "Save complexity filtered short-reads",
+                    "help_text": "Specify whether to save the final complexity filtered reads in your results directory (`--outdir`)."
                 }
             },
             "fa_icon": "fas fa-compress-alt"
@@ -182,35 +210,41 @@
                 "perform_longread_qc": {
                     "type": "boolean",
                     "fa_icon": "fas fa-toggle-on",
-                    "description": "Turns on long read quality control steps (adapter clipping, length filtering etc.)"
+                    "description": "Turns on long read quality control steps (adapter clipping, length filtering etc.)",
+                    "help_text": "Turns on long read quality control steps (adapter clipping, length and/or quality filtering.)\n\nRemoving adapters (if present) is recommend to reduce false-postive hits that may occur from 'dirty' or 'contaminated' reference genomes in a profiling database that contain accidentially incorporated adapter sequences.\n\nLength filtering, and quality filtering can speed up alignment by reducing the number of unspecific reads that need to be aligned."
                 },
                 "longread_qc_skipadaptertrim": {
                     "type": "boolean",
                     "description": "Skip long-read trimming",
-                    "fa_icon": "fas fa-forward"
+                    "fa_icon": "fas fa-forward",
+                    "help_text": "Skip removal of adapters by Porechop. This can be useful in some cases to speed up run time - particularly when you are running data downloading from public databases such as the ENA/SRA that should already have adapters removed. We recommend that you check your FastQC results this is indeed the case."
                 },
                 "longread_qc_skipqualityfilter": {
                     "type": "boolean",
                     "description": "Skip long-read length and quality filtering",
-                    "fa_icon": "fas fa-forward"
+                    "fa_icon": "fas fa-forward",
+                    "help_text": "Skip removal of quality filtering with Filtlong. This will skip length, percent reads, and target bases filtering (see other `--longread_qc_qualityfilter_*` parameters)."
                 },
                 "longread_qc_qualityfilter_minlength": {
                     "type": "integer",
                     "default": 1000,
                     "description": "Specify the minimum length of reads to be retained",
-                    "fa_icon": "fas fa-ruler-horizontal"
+                    "fa_icon": "fas fa-ruler-horizontal",
+                    "help_text": "Specify the minimum of length of reads to be kept for downstream analysis.\n\n> Modifies tool parameter(s):\n> - Filtlong: `--min_length`"
                 },
                 "longread_qc_qualityfilter_keeppercent": {
                     "type": "integer",
                     "default": 90,
-                    "description": "Specify the percent of high-quality reads to be retained",
-                    "fa_icon": "fas fa-percentage"
+                    "description": "Specify the percent of high-quality bases to be retained",
+                    "fa_icon": "fas fa-percentage",
+                    "help_text": "Throw out the remaining percentage of reads outside the value. This is measured by bp, not by read count. So this option throws out the worst e.g. 10% of read bases if the parameter is set to `90`.  _Modified from [Filtlong documentation](https://github.com/rrwick/Filtlong)_\n\n> Modifies tool parameter(s):\n> - Filtlong: `--keep_percent`"
                 },
                 "longread_qc_qualityfilter_targetbases": {
                     "type": "integer",
                     "default": 500000000,
-                    "description": "Specify the minimum number of high-quality bases in the library to be retained",
-                    "fa_icon": "fas fa-bullseye"
+                    "description": "Specify the number of high-quality bases in the library to be retained",
+                    "fa_icon": "fas fa-bullseye",
+                    "help_text": "Removes the worst reads until only the specified value of bases remain, useful for very large read sets. If the input read set is less than the specified value, this setting will have no effect. _Modified from [Filtlong documentation](https://github.com/rrwick/Filtlong)_\n\n> Modifies tool parameter(s):\n> - Filtlong: `--keep_percent`"
                 }
             },
             "fa_icon": "fas fa-expand-alt"
@@ -224,45 +258,53 @@
                 "perform_shortread_hostremoval": {
                     "type": "boolean",
                     "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on short-read host removal"
+                    "description": "Turn on short-read host removal",
+                    "help_text": "Turns on the ability to remove short-reads from the that derived from a known organism, using Bowtie2 and samtools\n\nThis subworkflow is useful to remove reads that may come from a host, or a known contamination like the human reference genome. Human DNA contamination of (microbial) reference genomes is well known, so removal of these prior profiling both reduces the risks of false positives, and in _some cases_ a faster runtime (as less reads need to be profiled).\n\nAlternatively, you can include the reference genome within your profiling databases and can turn off this subworkflow, with the trade off of a larger taxonomic profiling database."
                 },
                 "perform_longread_hostremoval": {
                     "type": "boolean",
                     "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on long-read host removal"
+                    "description": "Turn on long-read host removal",
+                    "help_text": "Turns on the ability to remove long-reads from the that derived from a known organism, using minimap2 and samtools\n\nThis subworkflow is useful to remove reads that may come from a host, or a known contamination like the human reference genome. Human DNA contamination of (microbial) reference genomes is well known, so removal of these prior profiling both reduces the risks of false positives, and in _some cases_ a faster runtime (as less reads need to be profiled).\n\nAlternatively, you can include the reference genome within your profiling databases and can turn off this subworkflow, with the trade off of a larger taxonomic profiling database."
                 },
                 "hostremoval_reference": {
                     "type": "string",
                     "default": "None",
                     "fa_icon": "fas fa-file-alt",
-                    "description": "Specify path to single reference FASTA of host(s) genome(s)"
+                    "description": "Specify path to single reference FASTA of host(s) genome(s)",
+                    "help_text": "Specify a path to the FASTA file of the reference genome of the organism to be removed.\n\nIf you have two or more host organisms or contaminants you wish to remove, you can concatenate the FASTAs of the different taxa into a single one to provide to the pipeline."
                 },
                 "shortread_hostremoval_index": {
                     "type": "string",
                     "default": "None",
                     "fa_icon": "fas fa-address-book",
-                    "description": "Specify path to the directory containing pre-made BowTie2 indexes of the host removal reference"
+                    "description": "Specify path to the directory containing pre-made BowTie2 indexes of the host removal reference",
+                    "help_text": "Specify the path to a _directory_ containing pre-made Bowtie2 reference index files (i.e. the directory containing `.bt1`, `.bt2` files etc.). These should sit in the same directory alongside the the reference file specified in `--hostremoval_reference` .\n\nSpecifying premade indices can speed up runtime of the host-removal step, however if not supplied the pipeline will generate the indices for you"
                 },
                 "longread_hostremoval_index": {
                     "type": "string",
                     "default": "None",
                     "fa_icon": "fas fa-address-book",
-                    "description": "Specify path to the directory containing pre-made Minimap2 indexes of the host removal reference"
+                    "description": "Specify path to a pre-made Minimap2 index file (.mmi) of the host removal reference",
+                    "help_text": "Specify path to a pre-made Minimap2 index file (.mmi) of the host removal reference file given to `--hostremoval_reference`.\n\nSpecifying a premade index file can speed up runtime of the host-removal step, however if not supplied the pipeline will generate the indices for you."
                 },
                 "save_hostremoval_index": {
                     "type": "boolean",
                     "fa_icon": "fas fa-save",
-                    "description": "Save mapping index of input reference when not already supplied by user"
+                    "description": "Save mapping index of input reference when not already supplied by user",
+                    "help_text": "Save the output files of the in-built indexing of the host genome.\n\nThis is recommend to be turned of if you plan to use the same reference genome multiple times, as supplying the directory or file to `--shortread_hostremoval_index` or `--longread_hostremoval_index` respectively can speed up runtime of future runs. Once generated, we recommend you place this file _outside_ of your run results directory in a central 'cache' directory you and others using your machine can access and supply to the pipeline."
                 },
                 "save_hostremoval_mapped": {
                     "type": "boolean",
                     "fa_icon": "fas fa-save",
-                    "description": "Save mapped reads in BAM format from host removal"
+                    "description": "Save mapped reads in BAM format from host removal",
+                    "help_text": "Save the reads mapped to the reference genome in BAM format as output by the respective hostremoval alignment tool.\n\nThis can be useful if you wish to perform other analyses on the host organism (such as host-microbe interaction), however, you should consider whether the default mapping parameters of Bowtie2 (short-read) or minimap2 (long-read) are optimised to your context. "
                 },
                 "save_hostremoval_unmapped": {
                     "type": "boolean",
                     "fa_icon": "fas fa-save",
-                    "description": "Save unmapped reads in FASTQ format from host removal"
+                    "description": "Save unmapped reads in FASTQ format from host removal",
+                    "help_text": "Save the unreads mapped to the reference genome in FASTQ format (as exported from `samtools view`).\n\nThis can be useful if you wish to perform other analyses on the off-target reads from the host mapping, such as manual profiling or _de novo_ assembly."
                 }
             },
             "fa_icon": "fas fa-user-times"
@@ -276,12 +318,14 @@
                 "perform_runmerging": {
                     "type": "boolean",
                     "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on run merging"
+                    "description": "Turn on run merging",
+                    "help_text": "Turns on the concatenation of sequencing runs or libraries with the same sample name.\n\nThis can be useful to ensure you get a single profile per sample, rather than one profile per run or library. Note that in some cases comparing profiles of independent _libraries_ maybe useful, so this parameter may not always be suitable.  "
                 },
                 "save_runmerged_reads": {
                     "type": "boolean",
                     "fa_icon": "fas fa-save",
-                    "description": "Save run-concatenated input FASTQ files for each sample"
+                    "description": "Save run-concatenated input FASTQ files for each sample",
+                    "help_text": "Save the run- and library-concatenated reads of a given sample in FASTQ format."
                 }
             },
             "fa_icon": "fas fa-clipboard-check"
@@ -310,7 +354,15 @@
                 "diamond_output_format": {
                     "type": "string",
                     "default": "tsv",
-                    "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"],
+                    "enum": [
+                        "blast",
+                        "xml",
+                        "txt",
+                        "daa",
+                        "sam",
+                        "tsv",
+                        "paf"
+                    ],
                     "fa_icon": "fas fa-file",
                     "description": "Specify output format from DIAMOND profiling."
                 },
@@ -327,7 +379,14 @@
                 "kaiju_taxon_rank": {
                     "type": "string",
                     "default": "species",
-                    "enum": ["phylum", "class", "order", "family", "genus", "species"],
+                    "enum": [
+                        "phylum",
+                        "class",
+                        "order",
+                        "family",
+                        "genus",
+                        "species"
+                    ],
                     "fa_icon": "fas fa-tag",
                     "description": "Specify taxonomic rank to be displayed in Kaiju taxon table"
                 },
@@ -512,7 +571,14 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
+                    "enum": [
+                        "symlink",
+                        "rellink",
+                        "link",
+                        "copy",
+                        "copyNoFollow",
+                        "move"
+                    ],
                     "hidden": true
                 },
                 "email_on_fail": {

From acd0570b4a640e03b74297eb2e837f052074a8c2 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 31 Aug 2022 07:56:39 +0200
Subject: [PATCH 318/789] Finalise first pass of nextflow json documentation

---
 nextflow_schema.json | 89 ++++++++++++++++----------------------------
 1 file changed, 33 insertions(+), 56 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 33ebb36..c79d320 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,11 +10,7 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": [
-                "input",
-                "databases",
-                "outdir"
-            ],
+            "required": ["input", "databases", "outdir"],
             "properties": {
                 "input": {
                     "type": "string",
@@ -84,10 +80,7 @@
                 "shortread_qc_tool": {
                     "type": "string",
                     "default": "fastp",
-                    "enum": [
-                        "fastp",
-                        "adapterremoval"
-                    ],
+                    "enum": ["fastp", "adapterremoval"],
                     "fa_icon": "fas fa-tools",
                     "description": "Specify which tool to use for short-read QC"
                 },
@@ -140,11 +133,7 @@
                 "shortread_complexityfilter_tool": {
                     "type": "string",
                     "default": "bbduk",
-                    "enum": [
-                        "bbduk",
-                        "prinseqplusplus",
-                        "fastp"
-                    ],
+                    "enum": ["bbduk", "prinseqplusplus", "fastp"],
                     "fa_icon": "fas fa-hammer",
                     "description": "Specify which tool to use for complexity filtering"
                 },
@@ -178,10 +167,7 @@
                 "shortread_complexityfilter_prinseqplusplus_mode": {
                     "type": "string",
                     "default": "entropy",
-                    "enum": [
-                        "entropy",
-                        "dust"
-                    ],
+                    "enum": ["entropy", "dust"],
                     "fa_icon": "fas fa-check-square",
                     "description": "Specify the complexity filter mode for PRINSEQ++"
                 },
@@ -344,7 +330,8 @@
                 "centrifuge_save_reads": {
                     "type": "boolean",
                     "fa_icon": "fas fa-save",
-                    "description": "Turn on saving of Centrifuge-aligned reads"
+                    "description": "Turn on saving of Centrifuge-aligned reads",
+                    "help_text": "Save mapped (SAM, FASTQ) and unmapped (FASTQ) reads from alignment step of centrifuge in your output results directory.\n\n> Modifies  tool parameter(s):\n> centrifuge: `--un-gz`, `--al-gz`, `--un-conc-gz`, `--al-conc-gz`, `--out-fmt`"
                 },
                 "run_diamond": {
                     "type": "boolean",
@@ -354,22 +341,16 @@
                 "diamond_output_format": {
                     "type": "string",
                     "default": "tsv",
-                    "enum": [
-                        "blast",
-                        "xml",
-                        "txt",
-                        "daa",
-                        "sam",
-                        "tsv",
-                        "paf"
-                    ],
+                    "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"],
                     "fa_icon": "fas fa-file",
-                    "description": "Specify output format from DIAMOND profiling."
+                    "description": "Specify output format from DIAMOND profiling.",
+                    "help_text": "DIAMOND can produce output in a number of different formats, you can specify here which to produce.\n\nNote that DIAMOND can only produce one format at a time, and depending on which you pick, some downstream steps may not be executed. For example, selecting `daa` or `sam` will mean you will not get a tabular taxonomic profile as with the other tools.\n\n> Modifies tool parameter(s):\n> - diamond blastx: `--outfmt`"
                 },
                 "diamond_save_reads": {
                     "type": "boolean",
                     "fa_icon": "fas fa-save",
-                    "description": "Turn on saving of DIAMOND-aligned reads. Will override --diamond_output_format and no taxon tables will be generated"
+                    "description": "Turn on saving of DIAMOND-aligned reads. Will override --diamond_output_format and no taxon tables will be generated",
+                    "help_text": "Save aligned reads in SAM format from alignment step of DIAMOND in your output results directory.\n\nNote this explicitly overrides `--diamond_output_format` to produce the SAM file, and no taxon table will be generated.\n\n> Modifies tool parameter(s):\n> - DIAMOND: `--outfmt`"
                 },
                 "run_kaiju": {
                     "type": "boolean",
@@ -379,16 +360,10 @@
                 "kaiju_taxon_rank": {
                     "type": "string",
                     "default": "species",
-                    "enum": [
-                        "phylum",
-                        "class",
-                        "order",
-                        "family",
-                        "genus",
-                        "species"
-                    ],
+                    "enum": ["phylum", "class", "order", "family", "genus", "species"],
                     "fa_icon": "fas fa-tag",
-                    "description": "Specify taxonomic rank to be displayed in Kaiju taxon table"
+                    "description": "Specify taxonomic rank to be displayed in Kaiju taxon table",
+                    "help_text": "Specify the taxonomic level(s) to be displayed in the resulting Kaiju taxon table, as generated by the kaiju2table helper tool.\n\nThis can be either a single level (e.g. `species`), or a comma separated list to display the full taxonomic path (e.g. `-l superkingdom,phylum,class,order,family,genus,species.`).\n\n> Modifies tool parameter(s):\n> - kaiju2table: `-l`"
                 },
                 "run_kraken2": {
                     "type": "boolean",
@@ -398,12 +373,14 @@
                 "kraken2_save_reads": {
                     "type": "boolean",
                     "fa_icon": "fas fa-save",
-                    "description": "Turn on saving of Kraken2-aligned reads"
+                    "description": "Turn on saving of Kraken2-aligned reads",
+                    "help_text": "Save reads that do and do not have a taxonomic classification in your output results directory in FASTQ format.\n\n> Modifies tool parameter(s):\n> - kraken2: `--classified-out` and `--unclassified-out`"
                 },
                 "kraken2_save_readclassification": {
                     "type": "boolean",
                     "fa_icon": "fas fa-save",
-                    "description": "Turn on saving of Kraken2 per-read taxonomic assignment file"
+                    "description": "Turn on saving of Kraken2 per-read taxonomic assignment file",
+                    "help_text": "Save a text file that contains a list of each read that had a taxonomic assignment, with information on specific taxonomic taxonomic assignment that that read recieved.\n\n> Modifies tool parameter(s):\n> - kraken2: `--output`"
                 },
                 "run_malt": {
                     "type": "boolean",
@@ -414,17 +391,20 @@
                     "type": "string",
                     "default": "BlastN",
                     "fa_icon": "fas fa-check-square",
-                    "description": "Specify which MALT alignment mode to use"
+                    "description": "Specify which MALT alignment mode to use",
+                    "help_text": "Specify which version of MALT alignment to use.\n\nBlastN is generally recommended (nucleotide-nucleotide alignment), but particularly for very short reads (such as aDNA), whereas BlastX mode is similar to DIAMOND and will translate the nucleotide to amino acid sequences. Note each type of alignment mode requires different parameters during database construction. Refer to the MALT manual for more information.\n\n> Modifies tool parameter(s):\n> - malt-run: `-mode` "
                 },
                 "malt_save_reads": {
                     "type": "boolean",
                     "fa_icon": "fas fa-save",
-                    "description": "Turn on saving of MALT-aligned reads"
+                    "description": "Turn on saving of MALT-aligned reads",
+                    "help_text": "Turns on saving of MALT aligned reads in SAM format.\n\nRequires `-a` to be specified in your database arguments (see `--databases`).\n\nNote the SAM format produce by MALT is not completely valid, and may not work with downstream tools."
                 },
                 "malt_generate_megansummary": {
                     "type": "boolean",
                     "fa_icon": "fas fa-save",
-                    "description": "Turn on generation of MEGAN summary file from MALT results"
+                    "description": "Turn on generation of MEGAN summary file from MALT results",
+                    "help_text": "Turns on saving of MALT output in an additional MEGAN summary file (`.megan`) that can be loaded into the MEGAN metagenomic exploration tool.\n\nNote this file is generated not directly from MALT but rather then MEGAN utility script `rma2info`.\n\n> Modifies tool parameter(s):\n> - rma2info: `-es`"
                 },
                 "run_metaphlan3": {
                     "type": "boolean",
@@ -448,23 +428,27 @@
                 "run_profile_standardisation": {
                     "type": "boolean",
                     "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on standardisation of taxon tables across profilers"
+                    "description": "Turn on standardisation of taxon tables across profilers",
+                    "help_text": "Turns on standardisation of output OTU tables across all tools, each into a TSV format following the following scheme:\n\n|TAXON   | SAMPLE_A | SAMPLE_B |\n|-------------|----------------|-----------------|\n| taxon_a | 32               | 123             |\n| taxon_b | 1                 | 5                 |\n\nThis currently only is generated for mOTUs."
                 },
                 "generate_biom_output": {
                     "type": "boolean",
                     "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on generation of BIOM output (currently only applies to mOTUs)"
+                    "description": "Turn on generation of BIOM output (currently only applies to mOTUs)",
+                    "help_text": "Turn on the saving of the taxonomic output in BIOM format (`.biom`) in the results directory of your pipeline run, instead of the default TSV format.\n\nNote this file is from the output of the `motus merge` command.\n\n> Modifies tool parameter(s):\n> - `-B -o`"
                 },
                 "run_krona": {
                     "type": "boolean",
                     "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on generation of Krona plots for supported profilers"
+                    "description": "Turn on generation of Krona plots for supported profilers",
+                    "help_text": "Turn on the generation of Krona interactive pie-chart HTMLs for a selection of profilers.\n\nThe tools currently supported are:\n\n- centrifuge\n- kraken2\n- kaiju\n- MALT"
                 },
                 "krona_taxonomy_directory": {
                     "type": "string",
                     "default": "None",
                     "fa_icon": "fas fa-folder-open",
-                    "description": "Specify path to krona taxonomy directories (required for MALT krona plots)"
+                    "description": "Specify path to krona taxonomy directories (required for MALT krona plots)",
+                    "help_text": "Specify a path to a Krona taxonomy database directory (i.e. a directory containing a krona generated `.tab` file).\n\nThis is only required for generating Krona plots of MALT output.\n\nNote this taxonomy database must be downloaded and generated with the `updateTaxonomy.sh` script from the krona-tools package."
                 }
             },
             "fa_icon": "fas fa-chart-line"
@@ -571,14 +555,7 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": [
-                        "symlink",
-                        "rellink",
-                        "link",
-                        "copy",
-                        "copyNoFollow",
-                        "move"
-                    ],
+                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
                     "hidden": true
                 },
                 "email_on_fail": {

From 806208c4b15cca96d54a215e1a6e51cde7f38103 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 31 Aug 2022 08:30:26 +0200
Subject: [PATCH 319/789] Final tweaks to schema, and add a couple of notes for
 dev guidance on where their various `--save_reads` parameters are injected

---
 nextflow.config      | 12 ++++++------
 nextflow_schema.json | 34 +++++++++++++++++-----------------
 2 files changed, 23 insertions(+), 23 deletions(-)

diff --git a/nextflow.config b/nextflow.config
index e82cf9a..06c3875 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -103,16 +103,16 @@ params {
     run_malt                   = false
     malt_mode                  = 'BlastN'
     malt_generate_megansummary = false
-    malt_save_reads            = false
+    malt_save_reads            = false // added via map + database args extension in profiling.nf
 
     // kraken2
     run_kraken2                     = false
-    kraken2_save_reads              = false
-    kraken2_save_readclassification = false
+    kraken2_save_reads              = false // added directly to module in profiling.nf
+    kraken2_save_readclassification = false // added directly to module in profiling.nf
 
     // centrifuge
     run_centrifuge             = false
-    centrifuge_save_reads      = false
+    centrifuge_save_reads      = false // added directly to module in profiling.nf
 
     // metaphlan3
     run_metaphlan3             = false
@@ -124,7 +124,7 @@ params {
     // diamond
     run_diamond                = false
     diamond_output_format      = 'tsv'  // TSV is only format with taxonomic information apparently
-    diamond_save_reads         = false // this will override default diamond output format so no taxonomic profile is generated!
+    diamond_save_reads         = false // this will override default diamond output format so no taxonomic profile is generated! added directly to module in profiling.nf
 
     // mOTUs
     run_motus                  = false
@@ -135,7 +135,7 @@ params {
 
     // profile standardisation
     run_profile_standardisation = false
-    generate_biom_output                 = false
+    generate_biom_output        = false
 }
 
 // Load base.config by default for all pipelines
diff --git a/nextflow_schema.json b/nextflow_schema.json
index c79d320..eb839ec 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -60,7 +60,7 @@
                     "type": "boolean",
                     "fa_icon": "fas fa-save",
                     "description": "Save reads from adapter clipping/pair-merging, length filtering for both short and long reads",
-                    "help_text": "This saves the FASTQ output from the following tools:\n\n- fastp\n- AdapterRemoval\n- PoreChop\n- FiltLong\n\nThese reads will be a mixture of: adapter clipped, quality trimmed, pair-merged, and length filtered, depending on the parameters you set."
+                    "help_text": "This saves the FASTQ output from the following tools:\n\n- fastp\n- AdapterRemoval\n- Porechop\n- Filtlong\n\nThese reads will be a mixture of: adapter clipped, quality trimmed, pair-merged, and length filtered, depending on the parameters you set."
                 }
             },
             "fa_icon": "fas fa-users-cog"
@@ -95,14 +95,14 @@
                     "default": "None",
                     "fa_icon": "fas fa-grip-lines",
                     "description": "Specify adapter 1 nucleotide sequence",
-                    "help_text": "Specify a custom forward or R1 adapter sequence to be removed off of reads. \n\nIf not set, the selected short-read QC tool's defaults will be used.\n\n> Modifies tool parameter(s):\n> - fastp parameter `--adapter_sequence`. fastp default: `AGATCGGAAGAGCACACGTCTGAACTCCAGTCA`\n> - AdapterRemoval `--adapter1`. AdapteRemoval2 default: `AGATCGGAAGAGCACACGTCTGAACTCCAGTCACNNNNNNATCTCGTATGCCGTCTTCTGCTTG`"
+                    "help_text": "Specify a custom forward or R1 adapter sequence to be removed from reads. \n\nIf not set, the selected short-read QC tool's defaults will be used.\n\n> Modifies tool parameter(s):\n> - fastp: `--adapter_sequence`. fastp default: `AGATCGGAAGAGCACACGTCTGAACTCCAGTCA`\n> - AdapterRemoval: `--adapter1`. AdapteRemoval2 default: `AGATCGGAAGAGCACACGTCTGAACTCCAGTCACNNNNNNATCTCGTATGCCGTCTTCTGCTTG`"
                 },
                 "shortread_qc_adapter2": {
                     "type": "string",
                     "default": "None",
                     "fa_icon": "fas fa-grip-lines",
                     "description": "Specify adapter 2 nucleotide sequence",
-                    "help_text": "Specify a custom reverse or R2 adapter sequence to be removed off of reads. \n\nIf not set, the selected short-read QC tool's defaults will be used.\n\n> Modifies tool parameter(s):\n> - fastp parameter `--adapter_sequence`. fastp default: `AGATCGGAAGAGCGTCGTGTAGGGAAAGAGTGT`\n> - AdapterRemoval `--adapter1`. AdapteRemoval2 default: `AGATCGGAAGAGCGTCGTGTAGGGAAAGAGTGTAGATCTCGGTGGTCGCCGTATCATT`"
+                    "help_text": "Specify a custom reverse or R2 adapter sequence to be removed from reads. \n\nIf not set, the selected short-read QC tool's defaults will be used.\n\n> Modifies tool parameter(s):\n> - fastp: `--adapter_sequence`. fastp default: `AGATCGGAAGAGCGTCGTGTAGGGAAAGAGTGT`\n> - AdapterRemoval: `--adapter1`. AdapteRemoval2 default: `AGATCGGAAGAGCGTCGTGTAGGGAAAGAGTGTAGATCTCGGTGGTCGCCGTATCATT`"
                 },
                 "shortread_qc_mergepairs": {
                     "type": "boolean",
@@ -115,14 +115,14 @@
                     "type": "boolean",
                     "fa_icon": "far fa-times-circle",
                     "description": "Discard unmerged reads from paired-end merging",
-                    "help_text": "Turns off the inclusion of unmerged reads in resulting processing FASTQ file of paired-end sequencing data when using `fastp`.\n\nThis can be useful in cases where you prefer to have very short reads (e.g. aDNA), thus excluding longer-reads or possibly faulty reads where one of the pair was discarded.\n\n> Modifies tool parameter(s):\n> - fastp: `--include_unmerged`\n"
+                    "help_text": "Turns off the inclusion of unmerged reads in resulting processing FASTQ file of paired-end sequencing data when using `fastp`.\n\nThis can be useful in cases where you prefer to have very short reads (e.g. aDNA), thus excluding longer-reads or possibly faulty reads where one of the pair was discarded.\n\n> Modifies tool parameter(s):\n> - removed from reads `--include_unmerged`\n"
                 },
                 "shortread_qc_minlength": {
                     "type": "integer",
                     "default": 15,
                     "fa_icon": "fas fa-ruler-horizontal",
                     "description": "Specify the minimum length of reads to be retained",
-                    "help_text": "Specifying a mimum read length filtering can speed up profiling by reducing the number of short unspecific reads that need to be match/aligned to the database.\n\n> Modifies tool parameter(s):\n> - fastp: `--length_required`\n> - AdapterRemoval: `--minlength`"
+                    "help_text": "Specifying a mimum read length filtering can speed up profiling by reducing the number of short unspecific reads that need to be match/aligned to the database.\n\n> Modifies tool parameter(s):\n> - removed from reads `--length_required`\n> - AdapterRemoval: `--minlength`"
                 },
                 "perform_shortread_complexityfilter": {
                     "type": "boolean",
@@ -155,14 +155,14 @@
                     "type": "boolean",
                     "fa_icon": "fas fa-mask",
                     "description": "Turn on masking rather than discarding of low complexity reads for BBduk",
-                    "help_text": "Turn on masking of low-complexity reads (i.e., replacement with `N`) rather than removal.\n\n> Modfies:\n> - BBDuk: `entropymask=`"
+                    "help_text": "Turn on masking of low-complexity reads (i.e., replacement with `N`) rather than removal.\n\n> Modifies tool parameter(s)\n> - BBDuk: `entropymask=`"
                 },
                 "shortread_complexityfilter_fastp_threshold": {
                     "type": "integer",
                     "default": 30,
                     "fa_icon": "fas fa-sort-numeric-down",
                     "description": "Specify the minimum complexity filter threshold of fastp",
-                    "help_text": "Specify the minimum sequence complexity value for fastp. This value corresponds to the percentage of bases that is different from it's adjacent bases.\n\n> Modifies tool parameter(s):\n> - fastp: `--complexity_threshold`"
+                    "help_text": "Specify the minimum sequence complexity value for fastp. This value corresponds to the percentage of bases that is different from it's adjacent bases.\n\n> Modifies tool parameter(s):\n> - removed from reads `--complexity_threshold`"
                 },
                 "shortread_complexityfilter_prinseqplusplus_mode": {
                     "type": "string",
@@ -258,14 +258,14 @@
                     "default": "None",
                     "fa_icon": "fas fa-file-alt",
                     "description": "Specify path to single reference FASTA of host(s) genome(s)",
-                    "help_text": "Specify a path to the FASTA file of the reference genome of the organism to be removed.\n\nIf you have two or more host organisms or contaminants you wish to remove, you can concatenate the FASTAs of the different taxa into a single one to provide to the pipeline."
+                    "help_text": "Specify a path to the FASTA file (optionally gzipped) of the reference genome of the organism to be removed.\n\nIf you have two or more host organisms or contaminants you wish to remove, you can concatenate the FASTAs of the different taxa into a single one to provide to the pipeline."
                 },
                 "shortread_hostremoval_index": {
                     "type": "string",
                     "default": "None",
                     "fa_icon": "fas fa-address-book",
                     "description": "Specify path to the directory containing pre-made BowTie2 indexes of the host removal reference",
-                    "help_text": "Specify the path to a _directory_ containing pre-made Bowtie2 reference index files (i.e. the directory containing `.bt1`, `.bt2` files etc.). These should sit in the same directory alongside the the reference file specified in `--hostremoval_reference` .\n\nSpecifying premade indices can speed up runtime of the host-removal step, however if not supplied the pipeline will generate the indices for you"
+                    "help_text": "Specify the path to a _directory_ containing pre-made Bowtie2 reference index files (i.e. the directory containing `.bt1`, `.bt2` files etc.). These should sit in the same directory alongside the the reference file specified in `--hostremoval_reference`.\n\nSpecifying premade indices can speed up runtime of the host-removal step, however if not supplied the pipeline will generate the indices for you."
                 },
                 "longread_hostremoval_index": {
                     "type": "string",
@@ -278,7 +278,7 @@
                     "type": "boolean",
                     "fa_icon": "fas fa-save",
                     "description": "Save mapping index of input reference when not already supplied by user",
-                    "help_text": "Save the output files of the in-built indexing of the host genome.\n\nThis is recommend to be turned of if you plan to use the same reference genome multiple times, as supplying the directory or file to `--shortread_hostremoval_index` or `--longread_hostremoval_index` respectively can speed up runtime of future runs. Once generated, we recommend you place this file _outside_ of your run results directory in a central 'cache' directory you and others using your machine can access and supply to the pipeline."
+                    "help_text": "Save the output files of the in-built indexing of the host genome.\n\nThis is recommend to be turned on if you plan to use the same reference genome multiple times, as supplying the directory or file to `--shortread_hostremoval_index` or `--longread_hostremoval_index` respectively can speed up runtime of future runs. Once generated, we recommend you place this file _outside_ of your run results directory in a central 'cache' directory you and others using your machine can access and supply to the pipeline."
                 },
                 "save_hostremoval_mapped": {
                     "type": "boolean",
@@ -305,7 +305,7 @@
                     "type": "boolean",
                     "fa_icon": "fas fa-toggle-on",
                     "description": "Turn on run merging",
-                    "help_text": "Turns on the concatenation of sequencing runs or libraries with the same sample name.\n\nThis can be useful to ensure you get a single profile per sample, rather than one profile per run or library. Note that in some cases comparing profiles of independent _libraries_ maybe useful, so this parameter may not always be suitable.  "
+                    "help_text": "Turns on the concatenation of sequencing runs or libraries with the same sample name.\n\nThis can be useful to ensure you get a single profile per sample, rather than one profile per run or library. Note that in some cases comparing profiles of independent _libraries_ may be useful, so this parameter may not always be suitable.  "
                 },
                 "save_runmerged_reads": {
                     "type": "boolean",
@@ -331,7 +331,7 @@
                     "type": "boolean",
                     "fa_icon": "fas fa-save",
                     "description": "Turn on saving of Centrifuge-aligned reads",
-                    "help_text": "Save mapped (SAM, FASTQ) and unmapped (FASTQ) reads from alignment step of centrifuge in your output results directory.\n\n> Modifies  tool parameter(s):\n> centrifuge: `--un-gz`, `--al-gz`, `--un-conc-gz`, `--al-conc-gz`, `--out-fmt`"
+                    "help_text": "Save mapped (SAM, FASTQ) and unmapped (FASTQ) reads from alignment step of centrifuge in your output results directory.\n\n> Modifies tool parameter(s):\n> - centrifuge: `--un-gz`, `--al-gz`, `--un-conc-gz`, `--al-conc-gz`, `--out-fmt`"
                 },
                 "run_diamond": {
                     "type": "boolean",
@@ -344,7 +344,7 @@
                     "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"],
                     "fa_icon": "fas fa-file",
                     "description": "Specify output format from DIAMOND profiling.",
-                    "help_text": "DIAMOND can produce output in a number of different formats, you can specify here which to produce.\n\nNote that DIAMOND can only produce one format at a time, and depending on which you pick, some downstream steps may not be executed. For example, selecting `daa` or `sam` will mean you will not get a tabular taxonomic profile as with the other tools.\n\n> Modifies tool parameter(s):\n> - diamond blastx: `--outfmt`"
+                    "help_text": "DIAMOND can produce output in a number of different formats, you can specify here which to produce.\n\nNote that DIAMOND can only produce one format at a time, and depending on which you pick, some downstream steps may not be executed. For example, selecting `daa` or `sam` will mean you will not get a tabular taxonomic profile as with the other tools.\n\nWill be overriden by `--diamond_save_reads.`\n\n> Modifies tool parameter(s):\n> - diamond blastx: `--outfmt`"
                 },
                 "diamond_save_reads": {
                     "type": "boolean",
@@ -363,7 +363,7 @@
                     "enum": ["phylum", "class", "order", "family", "genus", "species"],
                     "fa_icon": "fas fa-tag",
                     "description": "Specify taxonomic rank to be displayed in Kaiju taxon table",
-                    "help_text": "Specify the taxonomic level(s) to be displayed in the resulting Kaiju taxon table, as generated by the kaiju2table helper tool.\n\nThis can be either a single level (e.g. `species`), or a comma separated list to display the full taxonomic path (e.g. `-l superkingdom,phylum,class,order,family,genus,species.`).\n\n> Modifies tool parameter(s):\n> - kaiju2table: `-l`"
+                    "help_text": "Specify the taxonomic level(s) to be displayed in the resulting Kaiju taxon table, as generated by the kaiju2table helper tool.\n\nThis can be either a single level (e.g. `species`), or a comma separated list to display the full taxonomic path (e.g. `superkingdom,phylum,class,order,family,genus,species.`).\n\n> Modifies tool parameter(s):\n> - kaiju2table: `-l`"
                 },
                 "run_kraken2": {
                     "type": "boolean",
@@ -398,13 +398,13 @@
                     "type": "boolean",
                     "fa_icon": "fas fa-save",
                     "description": "Turn on saving of MALT-aligned reads",
-                    "help_text": "Turns on saving of MALT aligned reads in SAM format.\n\nRequires `-a` to be specified in your database arguments (see `--databases`).\n\nNote the SAM format produce by MALT is not completely valid, and may not work with downstream tools."
+                    "help_text": "Turns on saving of MALT aligned reads in SAM format.\n\nNote that the SAM format produce by MALT is not completely valid, and may not work with downstream tools.\n\n> Modifies tool parameter(s):\n> - malt-run: `--alignments`, `-za`"
                 },
                 "malt_generate_megansummary": {
                     "type": "boolean",
                     "fa_icon": "fas fa-save",
                     "description": "Turn on generation of MEGAN summary file from MALT results",
-                    "help_text": "Turns on saving of MALT output in an additional MEGAN summary file (`.megan`) that can be loaded into the MEGAN metagenomic exploration tool.\n\nNote this file is generated not directly from MALT but rather then MEGAN utility script `rma2info`.\n\n> Modifies tool parameter(s):\n> - rma2info: `-es`"
+                    "help_text": "Turns on saving of MALT output in an additional MEGAN summary file (`.megan`) that can be loaded into the MEGAN metagenomic exploration tool.\n\nNote: this file is generated not directly from MALT but rather then MEGAN utility script `rma2info`.\n\n> Modifies tool parameter(s):\n> - rma2info: `-es`"
                 },
                 "run_metaphlan3": {
                     "type": "boolean",
@@ -429,7 +429,7 @@
                     "type": "boolean",
                     "fa_icon": "fas fa-toggle-on",
                     "description": "Turn on standardisation of taxon tables across profilers",
-                    "help_text": "Turns on standardisation of output OTU tables across all tools, each into a TSV format following the following scheme:\n\n|TAXON   | SAMPLE_A | SAMPLE_B |\n|-------------|----------------|-----------------|\n| taxon_a | 32               | 123             |\n| taxon_b | 1                 | 5                 |\n\nThis currently only is generated for mOTUs."
+                    "help_text": "Turns on standardisation of output OTU tables across all tools; each into a TSV format following the following scheme:\n\n|TAXON   | SAMPLE_A | SAMPLE_B |\n|-------------|----------------|-----------------|\n| taxon_a | 32               | 123             |\n| taxon_b | 1                 | 5                 |\n\nThis currently only is generated for mOTUs."
                 },
                 "generate_biom_output": {
                     "type": "boolean",

From 0107330d92f9efaca0917359543e61604d20a766 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 31 Aug 2022 08:34:57 +0200
Subject: [PATCH 320/789] Clarify specifying output parameters in database
 db_params column

---
 docs/usage.md | 14 +++++++-------
 1 file changed, 7 insertions(+), 7 deletions(-)

diff --git a/docs/usage.md b/docs/usage.md
index 1ee7bd0..15e060b 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -65,7 +65,7 @@ An [example samplesheet](../assets/samplesheet.csv) has been provided with the p
 
 nf-core/taxprofiler supports multiple databases being profiled in parallel for each tool.
 Databases can be supplied either in the form of a compressed `.tar.gz` archive of a directory containing all relevant database files or the path to a directory on the filesystem.
-The pipeline takes the locations and specific parameters of these databases as input via a four column comma-separated sheet.
+The pipeline takes the locations and specific profiling parameters of the tool of these databases as input via a four column comma-separated sheet.
 
 > ⚠️ nf-core/taxprofiler does not provide any databases by default, nor does it currently generate them for you. This must be performed manually by the user. See below for more information of the expected database files.
 
@@ -84,12 +84,12 @@ motus,db_mOTU,,/<path>/<to>/motus/motus_database/
 
 Column specifications are as follows:
 
-| Column      | Description                                                                                                                                                                                                                                             |
-| ----------- | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
-| `tool`      | Taxonomic profiling tool (supported by nf-core/taxprofiler) that the database has been indexed for [required].                                                                                                                                          |
-| `db_name`   | A unique name of the particular database [required].                                                                                                                                                                                                    |
-| `db_params` | Any parameters of the given taxonomic profiler that you wish to specify that the taxonomic profiling tool should use when profiling against this specific. Can be empty to use taxonomic profiler defaults Must not be surrounded by quotes [required]. |
-| `db_path`   | Path to the database. Can either be a path to a directory containing the database index files or a `.tar.gz` file which contains the compressed database directory with the same name as the tar archive, minus `.tar.gz` [required].                   |
+| Column      | Description                                                                                                                                                                                                                                                                                                                                                                                                                                                    |
+| ----------- | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
+| `tool`      | Taxonomic profiling tool (supported by nf-core/taxprofiler) that the database has been indexed for [required].                                                                                                                                                                                                                                                                                                                                                 |
+| `db_name`   | A unique name of the particular database [required].                                                                                                                                                                                                                                                                                                                                                                                                           |
+| `db_params` | Any parameters of the given taxonomic profiler that you wish to specify that the taxonomic profiling tool should use when profiling against this specific. Can be empty to use taxonomic profiler defaults. Must not be surrounded by quotes [required]. We generally do not recommend specifying parameters here that turn on/off saving of output files or specifying particular file extensions - this should be already addressed via pipeline parameters. |
+| `db_path`   | Path to the database. Can either be a path to a directory containing the database index files or a `.tar.gz` file which contains the compressed database directory with the same name as the tar archive, minus `.tar.gz` [required].                                                                                                                                                                                                                          |
 
 > 💡 You can also specify the same database directory/file twice (ensuring unique `db_name`s) and specify different parameters for each database to compare the effect of different parameters during profiling.
 

From 5274ac57af109125f0974463a23271cc142aef99 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Wed, 31 Aug 2022 09:24:24 +0200
Subject: [PATCH 321/789] Update .prettierignore

---
 .prettierignore | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.prettierignore b/.prettierignore
index 2fd5fd6..a48d0d5 100644
--- a/.prettierignore
+++ b/.prettierignore
@@ -6,5 +6,5 @@ results/
 .DS_Store
 testing/
 testing*
-tests/
 *.pyc
+tests/

From 169c7437c8bdef0cc4d9414321a415951f93daff Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Thu, 1 Sep 2022 16:28:05 +0200
Subject: [PATCH 322/789] Left over from template merge

---
 .github/workflows/ci.yml | 11 +++--------
 1 file changed, 3 insertions(+), 8 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 2641adb..fc50f82 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -70,14 +70,9 @@ jobs:
       NXF_ANSI_LOG: false
     strategy:
       matrix:
-        # Nextflow versions
-        include:
-          # Test pipeline minimum Nextflow version
-          - NXF_VER: "21.10.3"
-            NXF_EDGE: ""
-          # Test latest edge release of Nextflow
-          - NXF_VER: ""
-            NXF_EDGE: "1"
+        NXF_VER:
+          - "21.10.3"
+          - "latest-everything"
 
     steps:
       - name: Check out pipeline code

From 13e9957e143b3f6ae10bff397d8f29ac307d65ee Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Fri, 2 Sep 2022 06:03:05 +0000
Subject: [PATCH 323/789] Fixes process selector warning

---
 conf/modules.config                       |  4 ++--
 conf/test.config                          |  5 ++++-
 subworkflows/local/profiling.nf           | 26 +++++++++++------------
 subworkflows/local/visualization_krona.nf |  8 +++----
 4 files changed, 23 insertions(+), 20 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 43f7ebb..d4a2693 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -274,7 +274,7 @@ process {
         ]
     }
 
-    withName: 'NFCORE_TAXPROFILER:TAXPROFILER:PROFILING:MEGAN_RMA2INFO' {
+    withName: 'MEGAN_RMA2INFO_TSV' {
         ext.args = "-c2c Taxonomy"
         ext.prefix = { "${meta.id}" }
         publishDir = [
@@ -312,7 +312,7 @@ process {
         ]
     }
 
-    withName: 'NFCORE_TAXPROFILER:TAXPROFILER:VISUALIZATION_KRONA:MEGAN_RMA2INFO' {
+    withName: 'MEGAN_RMA2INFO_KRONA' {
         ext.args = { "--read2class Taxonomy" }
         ext.prefix = { "${meta.id}-${meta.db_name}" }
     }
diff --git a/conf/test.config b/conf/test.config
index dac0e81..a39a107 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -51,7 +51,10 @@ process {
     withName: MALT_RUN {
         maxForks = 1
     }
-    withName: MEGAN_RMA2INFO {
+    withName: MEGAN_RMA2INFO_TSV {
+        maxForks = 1
+    }
+    withName: MEGAN_RMA2INFO_KRONA {
         maxForks = 1
     }
 }
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 61aa394..17c96f1 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -2,16 +2,16 @@
 // Run profiling
 //
 
-include { MALT_RUN                    } from '../../modules/nf-core/modules/malt/run/main'
-include { MEGAN_RMA2INFO              } from '../../modules/nf-core/modules/megan/rma2info/main'
-include { KRAKEN2_KRAKEN2             } from '../../modules/nf-core/modules/kraken2/kraken2/main'
-include { CENTRIFUGE_CENTRIFUGE       } from '../../modules/nf-core/modules/centrifuge/centrifuge/main'
-include { CENTRIFUGE_KREPORT          } from '../../modules/nf-core/modules/centrifuge/kreport/main'
-include { METAPHLAN3                  } from '../../modules/nf-core/modules/metaphlan3/main'
-include { KAIJU_KAIJU                 } from '../../modules/nf-core/modules/kaiju/kaiju/main'
-include { KAIJU_KAIJU2TABLE           } from '../../modules/nf-core/modules/kaiju/kaiju2table/main'
-include { DIAMOND_BLASTX              } from '../../modules/nf-core/modules/diamond/blastx/main'
-include { MOTUS_PROFILE               } from '../../modules/nf-core/modules/motus/profile/main'
+include { MALT_RUN                              } from '../../modules/nf-core/modules/malt/run/main'
+include { MEGAN_RMA2INFO as MEGAN_RMA2INFO_TSV  } from '../../modules/nf-core/modules/megan/rma2info/main'
+include { KRAKEN2_KRAKEN2                       } from '../../modules/nf-core/modules/kraken2/kraken2/main'
+include { CENTRIFUGE_CENTRIFUGE                 } from '../../modules/nf-core/modules/centrifuge/centrifuge/main'
+include { CENTRIFUGE_KREPORT                    } from '../../modules/nf-core/modules/centrifuge/kreport/main'
+include { METAPHLAN3                            } from '../../modules/nf-core/modules/metaphlan3/main'
+include { KAIJU_KAIJU                           } from '../../modules/nf-core/modules/kaiju/kaiju/main'
+include { KAIJU_KAIJU2TABLE                     } from '../../modules/nf-core/modules/kaiju/kaiju2table/main'
+include { DIAMOND_BLASTX                        } from '../../modules/nf-core/modules/diamond/blastx/main'
+include { MOTUS_PROFILE                         } from '../../modules/nf-core/modules/motus/profile/main'
 
 workflow PROFILING {
     take:
@@ -109,11 +109,11 @@ workflow PROFILING {
                                         [ meta_new, rma ]
                                 }
 
-        MEGAN_RMA2INFO (ch_maltrun_for_megan, params.malt_generate_megansummary )
+        MEGAN_RMA2INFO_TSV (ch_maltrun_for_megan, params.malt_generate_megansummary )
         ch_multiqc_files       = ch_multiqc_files.mix( MALT_RUN.out.log )
-        ch_versions            = ch_versions.mix( MALT_RUN.out.versions.first(), MEGAN_RMA2INFO.out.versions.first() )
+        ch_versions            = ch_versions.mix( MALT_RUN.out.versions.first(), MEGAN_RMA2INFO_TSV.out.versions.first() )
         ch_raw_classifications = ch_raw_classifications.mix( ch_maltrun_for_megan )
-        ch_raw_profiles        = ch_raw_profiles.mix( MEGAN_RMA2INFO.out.txt )
+        ch_raw_profiles        = ch_raw_profiles.mix( MEGAN_RMA2INFO_TSV.out.txt )
 
     }
 
diff --git a/subworkflows/local/visualization_krona.nf b/subworkflows/local/visualization_krona.nf
index 397251f..86cbb71 100644
--- a/subworkflows/local/visualization_krona.nf
+++ b/subworkflows/local/visualization_krona.nf
@@ -2,7 +2,7 @@
 // Create Krona visualizations
 //
 
-include { MEGAN_RMA2INFO            } from '../../modules/nf-core/modules/megan/rma2info/main'
+include { MEGAN_RMA2INFO_KRONA      } from '../../modules/nf-core/modules/megan/rma2info/main'
 include { KAIJU_KAIJU2KRONA         } from '../../modules/nf-core/modules/kaiju/kaiju2krona/main'
 include { KRAKENTOOLS_KREPORT2KRONA } from '../../modules/nf-core/modules/krakentools/kreport2krona/main'
 include { KRONA_CLEANUP             } from '../../modules/local/krona_cleanup'
@@ -87,15 +87,15 @@ workflow VISUALIZATION_KRONA {
         Convert MALT/MEGAN RMA2INFO files into html Krona visualisations
     */
     if ( params.krona_taxonomy_directory ) {
-        MEGAN_RMA2INFO ( ch_input_classifications.malt, false )
-        GUNZIP ( MEGAN_RMA2INFO.out.txt )
+        MEGAN_RMA2INFO_KRONA ( ch_input_classifications.malt, false )
+        GUNZIP ( MEGAN_RMA2INFO_KRONA.out.txt )
         ch_krona_taxonomy_for_input = GUNZIP.out.gunzip
             .map{[[id: it[0]['db_name'], tool: it[0]['tool']], it[1]]}
             .groupTuple()
 
         KRONA_KTIMPORTTAXONOMY ( ch_krona_taxonomy_for_input, file(params.krona_taxonomy_directory, checkExists: true) )
         ch_krona_html.mix( KRONA_KTIMPORTTAXONOMY.out.html )
-        ch_versions = ch_versions.mix( MEGAN_RMA2INFO.out.versions.first() )
+        ch_versions = ch_versions.mix( MEGAN_RMA2INFO_KRONA.out.versions.first() )
         ch_versions = ch_versions.mix( KRONA_KTIMPORTTAXONOMY.out.versions.first() )
     }
 

From e64b3f85a4caabc47d34435b4a3cc814581bf45d Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Fri, 2 Sep 2022 06:07:33 +0000
Subject: [PATCH 324/789] Fix final linting problems for template merge

---
 bin/check_samplesheet.py |  20 ++--
 modules.json             | 232 ++++++++++++++++++++++-----------------
 2 files changed, 142 insertions(+), 110 deletions(-)

diff --git a/bin/check_samplesheet.py b/bin/check_samplesheet.py
index 7db3934..ca54ed9 100755
--- a/bin/check_samplesheet.py
+++ b/bin/check_samplesheet.py
@@ -6,10 +6,9 @@ import sys
 import errno
 import argparse
 
+
 def parse_args(args=None):
-    Description = (
-        "Reformat nf-core/taxprofiler samplesheet file and check its contents."
-    )
+    Description = "Reformat nf-core/taxprofiler samplesheet file and check its contents."
 
     Epilog = "Example usage: python check_samplesheet.py <FILE_IN> <FILE_OUT>"
 
@@ -18,6 +17,7 @@ def parse_args(args=None):
     parser.add_argument("FILE_OUT", help="Output file.")
     return parser.parse_args(args)
 
+
 def make_dir(path):
     if len(path) > 0:
         try:
@@ -26,6 +26,7 @@ def make_dir(path):
             if exception.errno != errno.EEXIST:
                 raise exception
 
+
 def print_error(error, context="Line", context_str=""):
     error_str = "ERROR: Please check samplesheet -> {}".format(error)
     if context != "" and context_str != "":
@@ -35,6 +36,7 @@ def print_error(error, context="Line", context_str=""):
     print(error_str)
     sys.exit(1)
 
+
 def check_samplesheet(file_in, file_out):
     """
     This function checks that the samplesheet follows the following structure:
@@ -118,9 +120,7 @@ def check_samplesheet(file_in, file_out):
             num_cols = len([x for x in lspl if x])
             if num_cols < MIN_COLS:
                 print_error(
-                    "Invalid number of populated columns (minimum = {})!".format(
-                        MIN_COLS
-                    ),
+                    "Invalid number of populated columns (minimum = {})!".format(MIN_COLS),
                     "Line",
                     line,
                 )
@@ -183,13 +183,9 @@ def check_samplesheet(file_in, file_out):
             ## Auto-detect paired-end/single-end
             if sample and fastq_1 and fastq_2:  ## Paired-end short reads
                 sample_info.extend(["0", fastq_1, fastq_2, fasta])
-            elif (
-                sample and fastq_1 and not fastq_2
-            ):  ## Single-end short/long fastq reads
+            elif sample and fastq_1 and not fastq_2:  ## Single-end short/long fastq reads
                 sample_info.extend(["1", fastq_1, fastq_2, fasta])
-            elif (
-                sample and fasta and not fastq_1 and not fastq_2
-            ):  ## Single-end long reads
+            elif sample and fasta and not fastq_1 and not fastq_2:  ## Single-end long reads
                 sample_info.extend(["1", fastq_1, fastq_2, fasta])
             elif fasta and (fastq_1 or fastq_2):
                 print_error(
diff --git a/modules.json b/modules.json
index 33c0c10..2d5bea6 100644
--- a/modules.json
+++ b/modules.json
@@ -3,104 +3,140 @@
     "homePage": "https://github.com/nf-core/taxprofiler",
     "repos": {
         "nf-core/modules": {
-            "adapterremoval": {
-                "git_sha": "879d42c5e28661fe0a5e744c9e2c515868f9e08a"
-            },
-            "bbmap/bbduk": {
-                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
-            },
-            "bowtie2/align": {
-                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
-            },
-            "bowtie2/build": {
-                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
-            },
-            "cat/fastq": {
-                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
-            },
-            "centrifuge/centrifuge": {
-                "git_sha": "d2726fcf75063960f06b36d2229a4c0966614108"
-            },
-            "centrifuge/kreport": {
-                "git_sha": "734d0db6079a4aa43b6509b207e5d6feb35d4838"
-            },
-            "custom/dumpsoftwareversions": {
-                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
-            },
-            "diamond/blastx": {
-                "git_sha": "3531824af826c16cd252bc5aa82ae169b244ebaa"
-            },
-            "fastp": {
-                "git_sha": "d0a1cbb703a130c19f6796c3fce24fbe7dfce789"
-            },
-            "fastqc": {
-                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
-            },
-            "filtlong": {
-                "git_sha": "957cb9b83668075f4af101fc99502908cca487e3"
-            },
-            "gunzip": {
-                "git_sha": "9aadd9a6d3f5964476582319b3a1c54a3e3fe7c9"
-            },
-            "kaiju/kaiju": {
-                "git_sha": "8856f127c58f6af479128be8b8df4d42e442ddbe"
-            },
-            "kaiju/kaiju2krona": {
-                "git_sha": "2f0b19240430de6807b1232e6d9d0e8084e8a28f"
-            },
-            "kaiju/kaiju2table": {
-                "git_sha": "538dbac98ba9c8f799536cd5a617195501439457"
-            },
-            "kraken2/kraken2": {
-                "git_sha": "abe025677cdd805cc93032341ab19885473c1a07"
-            },
-            "krakentools/kreport2krona": {
-                "git_sha": "8b2a473f586bed003e72d2b183acc43fc0ddc422"
-            },
-            "krona/ktimporttaxonomy": {
-                "git_sha": "0e9fd9370ad1845870b8a9c63fcc47d999a1739e"
-            },
-            "krona/ktimporttext": {
-                "git_sha": "cdefbec66999c0b49d8bfeea9d6f9d19056635a2"
-            },
-            "malt/run": {
-                "git_sha": "be8d7b3293cac26cc63e4dbfb364deb8ed6ec7e5"
-            },
-            "megan/rma2info": {
-                "git_sha": "2d38566eca4cc15142b2ffa7c11837569b39aece"
-            },
-            "metaphlan3": {
-                "git_sha": "ed4dd1a928ebf4308efb720de878045f7773f8e2"
-            },
-            "minimap2/align": {
-                "git_sha": "1a5a9e7b4009dcf34e6867dd1a5a1d9a718b027b"
-            },
-            "minimap2/index": {
-                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
-            },
-            "motus/merge": {
-                "git_sha": "b02e648c221e1da17cb589eefe297e61ec9e9c49"
-            },
-            "motus/profile": {
-                "git_sha": "b6ed584443ad68ac41e6975994139454a4f23c18"
-            },
-            "multiqc": {
-                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
-            },
-            "porechop": {
-                "git_sha": "b78e19b9dae3671db2c7d4346fe04452c1debfab"
-            },
-            "prinseqplusplus": {
-                "git_sha": "f1c5384c31e985591716afdd732cf8c2ae29d05b"
-            },
-            "samtools/bam2fq": {
-                "git_sha": "5510ea39fe638594bc26ac34cadf4a84bf27d159"
-            },
-            "samtools/view": {
-                "git_sha": "6b64f9cb6c3dd3577931cc3cd032d6fb730000ce"
-            },
-            "untar": {
-                "git_sha": "e080f4c8acf5760039ed12ec1f206170f3f9a918"
+            "git_url": "https://github.com/nf-core/modules.git",
+            "modules": {
+                "adapterremoval": {
+                    "branch": "master",
+                    "git_sha": "879d42c5e28661fe0a5e744c9e2c515868f9e08a"
+                },
+                "bbmap/bbduk": {
+                    "branch": "master",
+                    "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
+                },
+                "bowtie2/align": {
+                    "branch": "master",
+                    "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
+                },
+                "bowtie2/build": {
+                    "branch": "master",
+                    "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
+                },
+                "cat/fastq": {
+                    "branch": "master",
+                    "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
+                },
+                "centrifuge/centrifuge": {
+                    "branch": "master",
+                    "git_sha": "d2726fcf75063960f06b36d2229a4c0966614108"
+                },
+                "centrifuge/kreport": {
+                    "branch": "master",
+                    "git_sha": "734d0db6079a4aa43b6509b207e5d6feb35d4838"
+                },
+                "custom/dumpsoftwareversions": {
+                    "branch": "master",
+                    "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
+                },
+                "diamond/blastx": {
+                    "branch": "master",
+                    "git_sha": "3531824af826c16cd252bc5aa82ae169b244ebaa"
+                },
+                "fastp": {
+                    "branch": "master",
+                    "git_sha": "d0a1cbb703a130c19f6796c3fce24fbe7dfce789"
+                },
+                "fastqc": {
+                    "branch": "master",
+                    "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
+                },
+                "filtlong": {
+                    "branch": "master",
+                    "git_sha": "957cb9b83668075f4af101fc99502908cca487e3"
+                },
+                "gunzip": {
+                    "branch": "master",
+                    "git_sha": "9aadd9a6d3f5964476582319b3a1c54a3e3fe7c9"
+                },
+                "kaiju/kaiju": {
+                    "branch": "master",
+                    "git_sha": "8856f127c58f6af479128be8b8df4d42e442ddbe"
+                },
+                "kaiju/kaiju2krona": {
+                    "branch": "master",
+                    "git_sha": "2f0b19240430de6807b1232e6d9d0e8084e8a28f"
+                },
+                "kaiju/kaiju2table": {
+                    "branch": "master",
+                    "git_sha": "538dbac98ba9c8f799536cd5a617195501439457"
+                },
+                "kraken2/kraken2": {
+                    "branch": "master",
+                    "git_sha": "abe025677cdd805cc93032341ab19885473c1a07"
+                },
+                "krakentools/kreport2krona": {
+                    "branch": "master",
+                    "git_sha": "8b2a473f586bed003e72d2b183acc43fc0ddc422"
+                },
+                "krona/ktimporttaxonomy": {
+                    "branch": "master",
+                    "git_sha": "0e9fd9370ad1845870b8a9c63fcc47d999a1739e"
+                },
+                "krona/ktimporttext": {
+                    "branch": "master",
+                    "git_sha": "cdefbec66999c0b49d8bfeea9d6f9d19056635a2"
+                },
+                "malt/run": {
+                    "branch": "master",
+                    "git_sha": "be8d7b3293cac26cc63e4dbfb364deb8ed6ec7e5"
+                },
+                "megan/rma2info": {
+                    "branch": "master",
+                    "git_sha": "2d38566eca4cc15142b2ffa7c11837569b39aece"
+                },
+                "metaphlan3": {
+                    "branch": "master",
+                    "git_sha": "ed4dd1a928ebf4308efb720de878045f7773f8e2"
+                },
+                "minimap2/align": {
+                    "branch": "master",
+                    "git_sha": "1a5a9e7b4009dcf34e6867dd1a5a1d9a718b027b"
+                },
+                "minimap2/index": {
+                    "branch": "master",
+                    "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
+                },
+                "motus/merge": {
+                    "branch": "master",
+                    "git_sha": "b02e648c221e1da17cb589eefe297e61ec9e9c49"
+                },
+                "motus/profile": {
+                    "branch": "master",
+                    "git_sha": "b6ed584443ad68ac41e6975994139454a4f23c18"
+                },
+                "multiqc": {
+                    "branch": "master",
+                    "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
+                },
+                "porechop": {
+                    "branch": "master",
+                    "git_sha": "b78e19b9dae3671db2c7d4346fe04452c1debfab"
+                },
+                "prinseqplusplus": {
+                    "branch": "master",
+                    "git_sha": "f1c5384c31e985591716afdd732cf8c2ae29d05b"
+                },
+                "samtools/bam2fq": {
+                    "branch": "master",
+                    "git_sha": "5510ea39fe638594bc26ac34cadf4a84bf27d159"
+                },
+                "samtools/view": {
+                    "branch": "master",
+                    "git_sha": "6b64f9cb6c3dd3577931cc3cd032d6fb730000ce"
+                },
+                "untar": {
+                    "branch": "master",
+                    "git_sha": "e080f4c8acf5760039ed12ec1f206170f3f9a918"
+                }
             }
         }
     }

From 176a0a6280b03c63d90b9fdbf8b1843d28421aee Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Fri, 2 Sep 2022 10:06:20 +0200
Subject: [PATCH 325/789] Update ci.yml

---
 .github/workflows/ci.yml | 6 ------
 1 file changed, 6 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 2641adb..8268d52 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -23,14 +23,8 @@ jobs:
           - "21.10.3"
           - "latest-everything"
         parameters:
-          - "--perform_longread_qc false"
-          - "--perform_shortread_qc false"
-          - "--shortread_qc_tool fastp"
           - "--shortread_qc_tool fastp --shortread_qc_mergepairs --shortread_qc_excludeunmerged"
-          - "--shortread_qc_tool fastp --shortread_qc_mergepairs"
-          - "--shortread_qc_tool adapterremoval"
           - "--shortread_qc_tool adapterremoval --shortread_qc_mergepairs --shortread_qc_excludeunmerged"
-          - "--shortread_qc_tool adapterremoval --shortread_qc_mergepairs"
           - "--shortread_complexityfilter_tool bbduk"
           - "--shortread_complexityfilter_tool prinseqplusplus"
           - "--perform_runmerging"

From 61560cf065fae116cb74df26a838445bdd5bd575 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Fri, 2 Sep 2022 10:12:27 +0200
Subject: [PATCH 326/789] Update ci.yml

---
 .github/workflows/ci.yml | 22 ++++++----------------
 1 file changed, 6 insertions(+), 16 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 8268d52..434b494 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -64,28 +64,18 @@ jobs:
       NXF_ANSI_LOG: false
     strategy:
       matrix:
-        # Nextflow versions
-        include:
-          # Test pipeline minimum Nextflow version
-          - NXF_VER: "21.10.3"
-            NXF_EDGE: ""
-          # Test latest edge release of Nextflow
-          - NXF_VER: ""
-            NXF_EDGE: "1"
+        NXF_VER:
+          - "21.10.3"
+          - "latest-everything"
 
     steps:
       - name: Check out pipeline code
         uses: actions/checkout@v2
 
       - name: Install Nextflow
-        env:
-          NXF_VER: ${{ matrix.NXF_VER }}
-          # Uncomment only if the edge release is more recent than the latest stable release
-          # See https://github.com/nextflow-io/nextflow/issues/2467
-          # NXF_EDGE: ${{ matrix.NXF_EDGE }}
-        run: |
-          wget -qO- get.nextflow.io | bash
-          sudo mv nextflow /usr/local/bin/
+        uses: nf-core/setup-nextflow@v1
+        with:
+          version: "${{ matrix.NXF_VER }}"
 
       - name: Show current locale
         run: locale

From 8fe7f8bf4b034c81667a6b645c0e2c9978cd05de Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 2 Sep 2022 11:47:33 +0200
Subject: [PATCH 327/789] Revert "Fix final linting problems for template
 merge"

This reverts commit e64b3f85a4caabc47d34435b4a3cc814581bf45d.
---
 bin/check_samplesheet.py |  20 ++--
 modules.json             | 232 +++++++++++++++++----------------------
 2 files changed, 110 insertions(+), 142 deletions(-)

diff --git a/bin/check_samplesheet.py b/bin/check_samplesheet.py
index ca54ed9..7db3934 100755
--- a/bin/check_samplesheet.py
+++ b/bin/check_samplesheet.py
@@ -6,9 +6,10 @@ import sys
 import errno
 import argparse
 
-
 def parse_args(args=None):
-    Description = "Reformat nf-core/taxprofiler samplesheet file and check its contents."
+    Description = (
+        "Reformat nf-core/taxprofiler samplesheet file and check its contents."
+    )
 
     Epilog = "Example usage: python check_samplesheet.py <FILE_IN> <FILE_OUT>"
 
@@ -17,7 +18,6 @@ def parse_args(args=None):
     parser.add_argument("FILE_OUT", help="Output file.")
     return parser.parse_args(args)
 
-
 def make_dir(path):
     if len(path) > 0:
         try:
@@ -26,7 +26,6 @@ def make_dir(path):
             if exception.errno != errno.EEXIST:
                 raise exception
 
-
 def print_error(error, context="Line", context_str=""):
     error_str = "ERROR: Please check samplesheet -> {}".format(error)
     if context != "" and context_str != "":
@@ -36,7 +35,6 @@ def print_error(error, context="Line", context_str=""):
     print(error_str)
     sys.exit(1)
 
-
 def check_samplesheet(file_in, file_out):
     """
     This function checks that the samplesheet follows the following structure:
@@ -120,7 +118,9 @@ def check_samplesheet(file_in, file_out):
             num_cols = len([x for x in lspl if x])
             if num_cols < MIN_COLS:
                 print_error(
-                    "Invalid number of populated columns (minimum = {})!".format(MIN_COLS),
+                    "Invalid number of populated columns (minimum = {})!".format(
+                        MIN_COLS
+                    ),
                     "Line",
                     line,
                 )
@@ -183,9 +183,13 @@ def check_samplesheet(file_in, file_out):
             ## Auto-detect paired-end/single-end
             if sample and fastq_1 and fastq_2:  ## Paired-end short reads
                 sample_info.extend(["0", fastq_1, fastq_2, fasta])
-            elif sample and fastq_1 and not fastq_2:  ## Single-end short/long fastq reads
+            elif (
+                sample and fastq_1 and not fastq_2
+            ):  ## Single-end short/long fastq reads
                 sample_info.extend(["1", fastq_1, fastq_2, fasta])
-            elif sample and fasta and not fastq_1 and not fastq_2:  ## Single-end long reads
+            elif (
+                sample and fasta and not fastq_1 and not fastq_2
+            ):  ## Single-end long reads
                 sample_info.extend(["1", fastq_1, fastq_2, fasta])
             elif fasta and (fastq_1 or fastq_2):
                 print_error(
diff --git a/modules.json b/modules.json
index 2d5bea6..33c0c10 100644
--- a/modules.json
+++ b/modules.json
@@ -3,140 +3,104 @@
     "homePage": "https://github.com/nf-core/taxprofiler",
     "repos": {
         "nf-core/modules": {
-            "git_url": "https://github.com/nf-core/modules.git",
-            "modules": {
-                "adapterremoval": {
-                    "branch": "master",
-                    "git_sha": "879d42c5e28661fe0a5e744c9e2c515868f9e08a"
-                },
-                "bbmap/bbduk": {
-                    "branch": "master",
-                    "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
-                },
-                "bowtie2/align": {
-                    "branch": "master",
-                    "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
-                },
-                "bowtie2/build": {
-                    "branch": "master",
-                    "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
-                },
-                "cat/fastq": {
-                    "branch": "master",
-                    "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
-                },
-                "centrifuge/centrifuge": {
-                    "branch": "master",
-                    "git_sha": "d2726fcf75063960f06b36d2229a4c0966614108"
-                },
-                "centrifuge/kreport": {
-                    "branch": "master",
-                    "git_sha": "734d0db6079a4aa43b6509b207e5d6feb35d4838"
-                },
-                "custom/dumpsoftwareversions": {
-                    "branch": "master",
-                    "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
-                },
-                "diamond/blastx": {
-                    "branch": "master",
-                    "git_sha": "3531824af826c16cd252bc5aa82ae169b244ebaa"
-                },
-                "fastp": {
-                    "branch": "master",
-                    "git_sha": "d0a1cbb703a130c19f6796c3fce24fbe7dfce789"
-                },
-                "fastqc": {
-                    "branch": "master",
-                    "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
-                },
-                "filtlong": {
-                    "branch": "master",
-                    "git_sha": "957cb9b83668075f4af101fc99502908cca487e3"
-                },
-                "gunzip": {
-                    "branch": "master",
-                    "git_sha": "9aadd9a6d3f5964476582319b3a1c54a3e3fe7c9"
-                },
-                "kaiju/kaiju": {
-                    "branch": "master",
-                    "git_sha": "8856f127c58f6af479128be8b8df4d42e442ddbe"
-                },
-                "kaiju/kaiju2krona": {
-                    "branch": "master",
-                    "git_sha": "2f0b19240430de6807b1232e6d9d0e8084e8a28f"
-                },
-                "kaiju/kaiju2table": {
-                    "branch": "master",
-                    "git_sha": "538dbac98ba9c8f799536cd5a617195501439457"
-                },
-                "kraken2/kraken2": {
-                    "branch": "master",
-                    "git_sha": "abe025677cdd805cc93032341ab19885473c1a07"
-                },
-                "krakentools/kreport2krona": {
-                    "branch": "master",
-                    "git_sha": "8b2a473f586bed003e72d2b183acc43fc0ddc422"
-                },
-                "krona/ktimporttaxonomy": {
-                    "branch": "master",
-                    "git_sha": "0e9fd9370ad1845870b8a9c63fcc47d999a1739e"
-                },
-                "krona/ktimporttext": {
-                    "branch": "master",
-                    "git_sha": "cdefbec66999c0b49d8bfeea9d6f9d19056635a2"
-                },
-                "malt/run": {
-                    "branch": "master",
-                    "git_sha": "be8d7b3293cac26cc63e4dbfb364deb8ed6ec7e5"
-                },
-                "megan/rma2info": {
-                    "branch": "master",
-                    "git_sha": "2d38566eca4cc15142b2ffa7c11837569b39aece"
-                },
-                "metaphlan3": {
-                    "branch": "master",
-                    "git_sha": "ed4dd1a928ebf4308efb720de878045f7773f8e2"
-                },
-                "minimap2/align": {
-                    "branch": "master",
-                    "git_sha": "1a5a9e7b4009dcf34e6867dd1a5a1d9a718b027b"
-                },
-                "minimap2/index": {
-                    "branch": "master",
-                    "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
-                },
-                "motus/merge": {
-                    "branch": "master",
-                    "git_sha": "b02e648c221e1da17cb589eefe297e61ec9e9c49"
-                },
-                "motus/profile": {
-                    "branch": "master",
-                    "git_sha": "b6ed584443ad68ac41e6975994139454a4f23c18"
-                },
-                "multiqc": {
-                    "branch": "master",
-                    "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
-                },
-                "porechop": {
-                    "branch": "master",
-                    "git_sha": "b78e19b9dae3671db2c7d4346fe04452c1debfab"
-                },
-                "prinseqplusplus": {
-                    "branch": "master",
-                    "git_sha": "f1c5384c31e985591716afdd732cf8c2ae29d05b"
-                },
-                "samtools/bam2fq": {
-                    "branch": "master",
-                    "git_sha": "5510ea39fe638594bc26ac34cadf4a84bf27d159"
-                },
-                "samtools/view": {
-                    "branch": "master",
-                    "git_sha": "6b64f9cb6c3dd3577931cc3cd032d6fb730000ce"
-                },
-                "untar": {
-                    "branch": "master",
-                    "git_sha": "e080f4c8acf5760039ed12ec1f206170f3f9a918"
-                }
+            "adapterremoval": {
+                "git_sha": "879d42c5e28661fe0a5e744c9e2c515868f9e08a"
+            },
+            "bbmap/bbduk": {
+                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
+            },
+            "bowtie2/align": {
+                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
+            },
+            "bowtie2/build": {
+                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
+            },
+            "cat/fastq": {
+                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
+            },
+            "centrifuge/centrifuge": {
+                "git_sha": "d2726fcf75063960f06b36d2229a4c0966614108"
+            },
+            "centrifuge/kreport": {
+                "git_sha": "734d0db6079a4aa43b6509b207e5d6feb35d4838"
+            },
+            "custom/dumpsoftwareversions": {
+                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
+            },
+            "diamond/blastx": {
+                "git_sha": "3531824af826c16cd252bc5aa82ae169b244ebaa"
+            },
+            "fastp": {
+                "git_sha": "d0a1cbb703a130c19f6796c3fce24fbe7dfce789"
+            },
+            "fastqc": {
+                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
+            },
+            "filtlong": {
+                "git_sha": "957cb9b83668075f4af101fc99502908cca487e3"
+            },
+            "gunzip": {
+                "git_sha": "9aadd9a6d3f5964476582319b3a1c54a3e3fe7c9"
+            },
+            "kaiju/kaiju": {
+                "git_sha": "8856f127c58f6af479128be8b8df4d42e442ddbe"
+            },
+            "kaiju/kaiju2krona": {
+                "git_sha": "2f0b19240430de6807b1232e6d9d0e8084e8a28f"
+            },
+            "kaiju/kaiju2table": {
+                "git_sha": "538dbac98ba9c8f799536cd5a617195501439457"
+            },
+            "kraken2/kraken2": {
+                "git_sha": "abe025677cdd805cc93032341ab19885473c1a07"
+            },
+            "krakentools/kreport2krona": {
+                "git_sha": "8b2a473f586bed003e72d2b183acc43fc0ddc422"
+            },
+            "krona/ktimporttaxonomy": {
+                "git_sha": "0e9fd9370ad1845870b8a9c63fcc47d999a1739e"
+            },
+            "krona/ktimporttext": {
+                "git_sha": "cdefbec66999c0b49d8bfeea9d6f9d19056635a2"
+            },
+            "malt/run": {
+                "git_sha": "be8d7b3293cac26cc63e4dbfb364deb8ed6ec7e5"
+            },
+            "megan/rma2info": {
+                "git_sha": "2d38566eca4cc15142b2ffa7c11837569b39aece"
+            },
+            "metaphlan3": {
+                "git_sha": "ed4dd1a928ebf4308efb720de878045f7773f8e2"
+            },
+            "minimap2/align": {
+                "git_sha": "1a5a9e7b4009dcf34e6867dd1a5a1d9a718b027b"
+            },
+            "minimap2/index": {
+                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
+            },
+            "motus/merge": {
+                "git_sha": "b02e648c221e1da17cb589eefe297e61ec9e9c49"
+            },
+            "motus/profile": {
+                "git_sha": "b6ed584443ad68ac41e6975994139454a4f23c18"
+            },
+            "multiqc": {
+                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
+            },
+            "porechop": {
+                "git_sha": "b78e19b9dae3671db2c7d4346fe04452c1debfab"
+            },
+            "prinseqplusplus": {
+                "git_sha": "f1c5384c31e985591716afdd732cf8c2ae29d05b"
+            },
+            "samtools/bam2fq": {
+                "git_sha": "5510ea39fe638594bc26ac34cadf4a84bf27d159"
+            },
+            "samtools/view": {
+                "git_sha": "6b64f9cb6c3dd3577931cc3cd032d6fb730000ce"
+            },
+            "untar": {
+                "git_sha": "e080f4c8acf5760039ed12ec1f206170f3f9a918"
             }
         }
     }

From c479714a5e99def23807a01f52f0f9490e82ece3 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 2 Sep 2022 11:48:49 +0200
Subject: [PATCH 328/789] Revert "Update ci.yml"

This reverts commit 61560cf065fae116cb74df26a838445bdd5bd575.
---
 .github/workflows/ci.yml | 22 ++++++++++++++++------
 1 file changed, 16 insertions(+), 6 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 434b494..8268d52 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -64,18 +64,28 @@ jobs:
       NXF_ANSI_LOG: false
     strategy:
       matrix:
-        NXF_VER:
-          - "21.10.3"
-          - "latest-everything"
+        # Nextflow versions
+        include:
+          # Test pipeline minimum Nextflow version
+          - NXF_VER: "21.10.3"
+            NXF_EDGE: ""
+          # Test latest edge release of Nextflow
+          - NXF_VER: ""
+            NXF_EDGE: "1"
 
     steps:
       - name: Check out pipeline code
         uses: actions/checkout@v2
 
       - name: Install Nextflow
-        uses: nf-core/setup-nextflow@v1
-        with:
-          version: "${{ matrix.NXF_VER }}"
+        env:
+          NXF_VER: ${{ matrix.NXF_VER }}
+          # Uncomment only if the edge release is more recent than the latest stable release
+          # See https://github.com/nextflow-io/nextflow/issues/2467
+          # NXF_EDGE: ${{ matrix.NXF_EDGE }}
+        run: |
+          wget -qO- get.nextflow.io | bash
+          sudo mv nextflow /usr/local/bin/
 
       - name: Show current locale
         run: locale

From 55d7919fa7befebebb673bdaf3352e842be44a73 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 2 Sep 2022 11:48:57 +0200
Subject: [PATCH 329/789] Revert "Update ci.yml"

This reverts commit 176a0a6280b03c63d90b9fdbf8b1843d28421aee.
---
 .github/workflows/ci.yml | 6 ++++++
 1 file changed, 6 insertions(+)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 8268d52..2641adb 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -23,8 +23,14 @@ jobs:
           - "21.10.3"
           - "latest-everything"
         parameters:
+          - "--perform_longread_qc false"
+          - "--perform_shortread_qc false"
+          - "--shortread_qc_tool fastp"
           - "--shortread_qc_tool fastp --shortread_qc_mergepairs --shortread_qc_excludeunmerged"
+          - "--shortread_qc_tool fastp --shortread_qc_mergepairs"
+          - "--shortread_qc_tool adapterremoval"
           - "--shortread_qc_tool adapterremoval --shortread_qc_mergepairs --shortread_qc_excludeunmerged"
+          - "--shortread_qc_tool adapterremoval --shortread_qc_mergepairs"
           - "--shortread_complexityfilter_tool bbduk"
           - "--shortread_complexityfilter_tool prinseqplusplus"
           - "--perform_runmerging"

From 7917e1d656fc303a7aab59bd377b11d7acab7036 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 2 Sep 2022 11:51:18 +0200
Subject: [PATCH 330/789] Synronise mOTUs CI setup

---
 .github/workflows/ci.yml | 22 ++++++----------------
 1 file changed, 6 insertions(+), 16 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 2641adb..f270829 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -70,28 +70,18 @@ jobs:
       NXF_ANSI_LOG: false
     strategy:
       matrix:
-        # Nextflow versions
-        include:
-          # Test pipeline minimum Nextflow version
-          - NXF_VER: "21.10.3"
-            NXF_EDGE: ""
-          # Test latest edge release of Nextflow
-          - NXF_VER: ""
-            NXF_EDGE: "1"
+        NXF_VER:
+          - "21.10.3"
+          - "latest-everything"
 
     steps:
       - name: Check out pipeline code
         uses: actions/checkout@v2
 
       - name: Install Nextflow
-        env:
-          NXF_VER: ${{ matrix.NXF_VER }}
-          # Uncomment only if the edge release is more recent than the latest stable release
-          # See https://github.com/nextflow-io/nextflow/issues/2467
-          # NXF_EDGE: ${{ matrix.NXF_EDGE }}
-        run: |
-          wget -qO- get.nextflow.io | bash
-          sudo mv nextflow /usr/local/bin/
+        uses: nf-core/setup-nextflow@v1
+        with:
+          version: "${{ matrix.NXF_VER }}"
 
       - name: Show current locale
         run: locale

From 3a33d81e80d8769717357fd3b9526a41316c9265 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 2 Sep 2022 11:55:19 +0200
Subject: [PATCH 331/789] Black linting I hope

---
 bin/check_samplesheet.py | 20 ++++++++------------
 1 file changed, 8 insertions(+), 12 deletions(-)

diff --git a/bin/check_samplesheet.py b/bin/check_samplesheet.py
index 7db3934..ca54ed9 100755
--- a/bin/check_samplesheet.py
+++ b/bin/check_samplesheet.py
@@ -6,10 +6,9 @@ import sys
 import errno
 import argparse
 
+
 def parse_args(args=None):
-    Description = (
-        "Reformat nf-core/taxprofiler samplesheet file and check its contents."
-    )
+    Description = "Reformat nf-core/taxprofiler samplesheet file and check its contents."
 
     Epilog = "Example usage: python check_samplesheet.py <FILE_IN> <FILE_OUT>"
 
@@ -18,6 +17,7 @@ def parse_args(args=None):
     parser.add_argument("FILE_OUT", help="Output file.")
     return parser.parse_args(args)
 
+
 def make_dir(path):
     if len(path) > 0:
         try:
@@ -26,6 +26,7 @@ def make_dir(path):
             if exception.errno != errno.EEXIST:
                 raise exception
 
+
 def print_error(error, context="Line", context_str=""):
     error_str = "ERROR: Please check samplesheet -> {}".format(error)
     if context != "" and context_str != "":
@@ -35,6 +36,7 @@ def print_error(error, context="Line", context_str=""):
     print(error_str)
     sys.exit(1)
 
+
 def check_samplesheet(file_in, file_out):
     """
     This function checks that the samplesheet follows the following structure:
@@ -118,9 +120,7 @@ def check_samplesheet(file_in, file_out):
             num_cols = len([x for x in lspl if x])
             if num_cols < MIN_COLS:
                 print_error(
-                    "Invalid number of populated columns (minimum = {})!".format(
-                        MIN_COLS
-                    ),
+                    "Invalid number of populated columns (minimum = {})!".format(MIN_COLS),
                     "Line",
                     line,
                 )
@@ -183,13 +183,9 @@ def check_samplesheet(file_in, file_out):
             ## Auto-detect paired-end/single-end
             if sample and fastq_1 and fastq_2:  ## Paired-end short reads
                 sample_info.extend(["0", fastq_1, fastq_2, fasta])
-            elif (
-                sample and fastq_1 and not fastq_2
-            ):  ## Single-end short/long fastq reads
+            elif sample and fastq_1 and not fastq_2:  ## Single-end short/long fastq reads
                 sample_info.extend(["1", fastq_1, fastq_2, fasta])
-            elif (
-                sample and fasta and not fastq_1 and not fastq_2
-            ):  ## Single-end long reads
+            elif sample and fasta and not fastq_1 and not fastq_2:  ## Single-end long reads
                 sample_info.extend(["1", fastq_1, fastq_2, fasta])
             elif fasta and (fastq_1 or fastq_2):
                 print_error(

From c3427e44b3a9eb198e6ef31866ee5568fa51b749 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 2 Sep 2022 12:24:29 +0200
Subject: [PATCH 332/789] Try with retries from sarek approach

---
 .github/workflows/ci.yml | 9 ++++-----
 1 file changed, 4 insertions(+), 5 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index f270829..3bc0dda 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -55,11 +55,10 @@ jobs:
           sudo update-locale LANG=en_US.UTF-8
 
       - name: Run pipeline with test data
-        # TODO nf-core: You can customise CI pipeline run tests as required
-        # For example: adding multiple test runs with different parameters
-        # Remember that you can parallelise this by using strategy.matrix
-        run: |
-          nextflow run ${GITHUB_WORKSPACE} -profile test,docker --outdir ./results ${{ matrix.parameters }}
+        uses: Wandalen/wretry.action@v1.0.11
+        with:
+          command: nextflow run ${GITHUB_WORKSPACE} -profile test,docker --outdir ./results ${{ matrix.parameters }}
+          attempt_limit: 3
 
   motus:
     name: Test mOTUs with workflow parameters

From 8456f934ed7ca6c17a13af13794cc4ae27dc3e29 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Fri, 2 Sep 2022 16:15:46 +0200
Subject: [PATCH 333/789] Update subworkflows/local/visualization_krona.nf

---
 subworkflows/local/visualization_krona.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/visualization_krona.nf b/subworkflows/local/visualization_krona.nf
index 86cbb71..f06768a 100644
--- a/subworkflows/local/visualization_krona.nf
+++ b/subworkflows/local/visualization_krona.nf
@@ -2,7 +2,7 @@
 // Create Krona visualizations
 //
 
-include { MEGAN_RMA2INFO_KRONA      } from '../../modules/nf-core/modules/megan/rma2info/main'
+include { MEGAN_RMA2INFO as MEGAN_RMA2INFO_KRONA      } from '../../modules/nf-core/modules/megan/rma2info/main'
 include { KAIJU_KAIJU2KRONA         } from '../../modules/nf-core/modules/kaiju/kaiju2krona/main'
 include { KRAKENTOOLS_KREPORT2KRONA } from '../../modules/nf-core/modules/krakentools/kreport2krona/main'
 include { KRONA_CLEANUP             } from '../../modules/local/krona_cleanup'

From 331231ea28a5c18160fb5f4f785f6915d33bf560 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Sun, 4 Sep 2022 14:02:54 +0000
Subject: [PATCH 334/789] Standardise CI execution

---
 .github/workflows/ci.yml | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 3bc0dda..106de1b 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -98,5 +98,7 @@ jobs:
           echo 'motus,db_mOTU,,db_mOTU' >> 'database_motus.csv'
 
       - name: Run pipeline with test data
-        run: |
-          nextflow run ${GITHUB_WORKSPACE} -profile test_motus,docker --outdir ./results --databases ./database_motus.csv
+        uses: Wandalen/wretry.action@v1.0.11
+        with:
+          command: nextflow run ${GITHUB_WORKSPACE} -profile test_motus,docker --outdir ./results --databases ./database_motus.csv
+          attempt_limit: 3

From dd194f3f47f8746826aa49b3e490b3e2f9cb809e Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Sun, 4 Sep 2022 15:01:58 +0000
Subject: [PATCH 335/789] Fix mOTUs CI and old param warn

---
 .github/workflows/ci.yml | 3 ---
 conf/test_motus.config   | 4 ++--
 2 files changed, 2 insertions(+), 5 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 106de1b..5cea5b7 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -64,9 +64,6 @@ jobs:
     name: Test mOTUs with workflow parameters
     if: ${{ github.event_name != 'push' || (github.event_name == 'push' && github.repository == 'nf-core/taxprofiler') }}
     runs-on: ubuntu-latest
-    env:
-      NXF_VER: ${{ matrix.nxf_ver }}
-      NXF_ANSI_LOG: false
     strategy:
       matrix:
         NXF_VER:
diff --git a/conf/test_motus.config b/conf/test_motus.config
index 1405447..d5eb8f8 100644
--- a/conf/test_motus.config
+++ b/conf/test_motus.config
@@ -24,8 +24,8 @@ params {
     // TODO nf-core: Give any required params for the test so that command line flags are not needed
     input                                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
     databases                             = 'database_motus.csv'
-    perform_shortread_clipmerge           = false
-    perform_longread_clip                 = false
+    perform_shortread_qc                  = false
+    perform_longread_qc                   = false
     perform_shortread_complexityfilter    = false
     perform_shortread_hostremoval         = false
     perform_longread_hostremoval          = false

From 7c5f9d0c24315a793c79a01c4b6dd5e0e8e42ffd Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 6 Sep 2022 17:34:45 +0200
Subject: [PATCH 336/789] Start work on more merging tools

---
 conf/modules.config                           | 31 +++++++++----------
 conf/test_nothing.config                      |  2 +-
 subworkflows/local/profiling.nf               |  4 ---
 .../local/standardisation_profiles.nf         | 24 ++++++++++++--
 workflows/taxprofiler.nf                      |  6 ++++
 5 files changed, 44 insertions(+), 23 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index d4a2693..7c1ceba 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -268,7 +268,7 @@ process {
         // one run with multiple samples, so fix ID to just db name to ensure clean log name
         ext.prefix = { "${meta.db_name}" }
         publishDir = [
-            path: { "${params.outdir}/malt/${meta.db_name}" },
+            path: { "${params.outdir}/malt/${meta.db_name}/${ext.prefix}" },
             mode: params.publish_dir_mode,
             pattern: '*.{rma6,log,sam}'
         ]
@@ -278,7 +278,7 @@ process {
         ext.args = "-c2c Taxonomy"
         ext.prefix = { "${meta.id}" }
         publishDir = [
-            path: { "${params.outdir}/malt/${meta.db_name}" },
+            path: { "${params.outdir}/malt/${meta.db_name}/${ext.prefix}" },
             mode: params.publish_dir_mode,
             pattern: '*.{txt.gz,megan}'
         ]
@@ -288,7 +288,7 @@ process {
         ext.args = { "${meta.db_params}" }
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
-            path: { "${params.outdir}/kraken2/${meta.db_name}" },
+            path: { "${params.outdir}/kraken2/${meta.db_name}/${ext.prefix}" },
             mode: params.publish_dir_mode,
             pattern: '*.{txt,report,fastq.gz}'
         ]
@@ -297,7 +297,7 @@ process {
     withName: KRONA_CLEANUP {
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
-            path: { "${params.outdir}/krona" },
+            path: { "${params.outdir}/krona/${ext.prefix}" },
             mode: params.publish_dir_mode,
             pattern: '*.{html}'
         ]
@@ -306,7 +306,7 @@ process {
     withName: KRONA_KTIMPORTTEXT {
         ext.prefix = { "${meta.tool}-${meta.id}" }
         publishDir = [
-            path: { "${params.outdir}/krona" },
+            path: { "${params.outdir}/krona/${ext.prefix}" },
             mode: params.publish_dir_mode,
             pattern: '*.{html}'
         ]
@@ -321,7 +321,7 @@ process {
         ext.args = "-i"
         ext.prefix = { "${meta.tool}-${meta.id}" }
         publishDir = [
-            path: { "${params.outdir}/krona" },
+            path: { "${params.outdir}/krona/${ext.prefix}" },
             mode: params.publish_dir_mode,
             pattern: '*.{html}'
         ]
@@ -331,7 +331,7 @@ process {
         ext.args = { "${meta.db_params}" }
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
-            path: { "${params.outdir}/metaphlan3/${meta.db_name}" },
+            path: { "${params.outdir}/metaphlan3/${meta.db_name}/${ext.prefix}" },
             mode: params.publish_dir_mode,
             pattern: '*.{biom,txt}'
         ]
@@ -339,7 +339,7 @@ process {
 
     withName: CENTRIFUGE_CENTRIFUGE {
         publishDir = [
-            path: { "${params.outdir}/centrifuge/${meta.db_name}" },
+            path: { "${params.outdir}/centrifuge/${meta.db_name}/${ext.prefix}" },
             mode: params.publish_dir_mode,
             pattern: '*.{txt,sam,gz}'
         ]
@@ -352,27 +352,26 @@ process {
         ext.args = { "${meta.db_params}" }
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}.centrifuge" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}.centrifuge" }
         publishDir = [
-            path: { "${params.outdir}/centrifuge/${meta.db_name}" },
+            path: { "${params.outdir}/centrifuge/${meta.db_name}/${ext.prefix}" },
             mode: params.publish_dir_mode,
             pattern: '*.{txt}'
         ]
     }
 
     withName: KAIJU_KAIJU {
+        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
-            path: { "${params.outdir}/kaiju/${meta.db_name}" },
+            path: { "${params.outdir}/kaiju/${meta.db_name}/${ext.prefix}" },
             mode: params.publish_dir_mode,
             pattern: '*.tsv'
         ]
         ext.args = { "${meta.db_params}" }
-        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
     }
 
     withName: KAIJU_KAIJU2TABLE {
-        ext.args = { "${meta.db_params}" }
-        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+        ext.prefix = { "${meta.id}_combined_reports" }
         publishDir = [
-            path: { "${params.outdir}/kaiju/${meta.db_name}" },
+            path: { "${params.outdir}/kaiju/" },
             mode: params.publish_dir_mode,
             pattern: '*.{txt}'
         ]
@@ -386,7 +385,7 @@ process {
         ext.args = { "${meta.db_params}" }
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
-            path: { "${params.outdir}/diamond/${meta.db_name}" },
+            path: { "${params.outdir}/diamond/${meta.db_name}/${ext.prefix}" },
             mode: params.publish_dir_mode,
             pattern: '*.{blast,xml,txt,daa,sam,tsv,paf,log}'
         ]
@@ -395,7 +394,7 @@ process {
     withName: MOTUS_PROFILE {
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
-            path: { "${params.outdir}/motus/${meta.db_name}" },
+            path: { "${params.outdir}/motus/${meta.db_name}/${ext.prefix}" },
             mode: params.publish_dir_mode
         ]
     }
diff --git a/conf/test_nothing.config b/conf/test_nothing.config
index 5cd89eb..91b0aa4 100644
--- a/conf/test_nothing.config
+++ b/conf/test_nothing.config
@@ -12,7 +12,7 @@
 
 params {
     config_profile_name        = 'Test profile'
-    config_profile_description = 'Minimal test dataset without performing any preprocessing nor profiling to check pipeline function. Useful when you only wish to test a single profiler without having to 'opt-out' of all the others'
+    config_profile_description = 'Minimal test dataset without performing any preprocessing nor profiling to check pipeline function. Useful when you only wish to test a single profiler without having to opt-out of all the others'
 
     // Limit resources so that this can run on GitHub Actions
     max_cpus   = 2
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 17c96f1..c4c5195 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -9,7 +9,6 @@ include { CENTRIFUGE_CENTRIFUGE                 } from '../../modules/nf-core/mo
 include { CENTRIFUGE_KREPORT                    } from '../../modules/nf-core/modules/centrifuge/kreport/main'
 include { METAPHLAN3                            } from '../../modules/nf-core/modules/metaphlan3/main'
 include { KAIJU_KAIJU                           } from '../../modules/nf-core/modules/kaiju/kaiju/main'
-include { KAIJU_KAIJU2TABLE                     } from '../../modules/nf-core/modules/kaiju/kaiju2table/main'
 include { DIAMOND_BLASTX                        } from '../../modules/nf-core/modules/diamond/blastx/main'
 include { MOTUS_PROFILE                         } from '../../modules/nf-core/modules/motus/profile/main'
 
@@ -185,11 +184,8 @@ workflow PROFILING {
                             }
 
         KAIJU_KAIJU ( ch_input_for_kaiju.reads, ch_input_for_kaiju.db)
-        KAIJU_KAIJU2TABLE (KAIJU_KAIJU.out.results, ch_input_for_kaiju.db, params.kaiju_taxon_rank)
-        ch_multiqc_files = ch_multiqc_files.mix( KAIJU_KAIJU2TABLE.out.summary )
         ch_versions = ch_versions.mix( KAIJU_KAIJU.out.versions.first() )
         ch_raw_classifications = ch_raw_classifications.mix( KAIJU_KAIJU.out.results )
-        ch_raw_profiles = ch_raw_profiles.mix( KAIJU_KAIJU2TABLE.out.summary )
 
     }
 
diff --git a/subworkflows/local/standardisation_profiles.nf b/subworkflows/local/standardisation_profiles.nf
index 92ceb16..8be6020 100644
--- a/subworkflows/local/standardisation_profiles.nf
+++ b/subworkflows/local/standardisation_profiles.nf
@@ -1,7 +1,8 @@
 //
-// Create Krona visualizations
+// Standardise output files e.g. aggregation
 //
 
+include { KAIJU_KAIJU2TABLE                     } from '../../modules/nf-core/modules/kaiju/kaiju2table/main'
 include { MOTUS_MERGE } from '../../modules/nf-core/modules/motus/merge/main'
 
 workflow STANDARDISATION_PROFILES {
@@ -14,6 +15,7 @@ workflow STANDARDISATION_PROFILES {
     main:
     ch_standardised_tables = Channel.empty()
     ch_versions            = Channel.empty()
+    ch_multiqc_files       = Channel.empty()
 
     /*
         Split profile results based on tool they come from
@@ -26,12 +28,14 @@ workflow STANDARDISATION_PROFILES {
 
     ch_input_classifications = classifications
         .branch {
+            kaiju: it[0]['tool'] == 'kaiju'
             unknown: true
         }
 
     ch_input_databases = databases
         .branch {
             motus: it[0]['tool'] == 'motus'
+            kaiju: it[0]['tool'] == 'kaiju'
             unknown: true
         }
 
@@ -39,6 +43,21 @@ workflow STANDARDISATION_PROFILES {
         Standardise and aggregate
     */
 
+    // Kaiju
+
+    // Collect and replace id for db_name for prefix
+    ch_profiles_for_kaiju = ch_input_classifications.kaiju
+                                .map { [it[0]['db_name'], it[1]] }
+                                .groupTuple()
+                                .map {
+                                    [[id:it[0]], it[1]]
+                                }
+
+    KAIJU_KAIJU2TABLE ( ch_profiles_for_kaiju, ch_input_databases.kaiju.map{it[1]}, params.kaiju_taxon_rank)
+    ch_standardised_tables = ch_standardised_tables.mix( KAIJU_KAIJU2TABLE.out.summary )
+    ch_multiqc_files = ch_multiqc_files.mix( KAIJU_KAIJU2TABLE.out.summary )
+    ch_versions = ch_versions.mix( KAIJU_KAIJU2TABLE.out.versions )
+
     // mOTUs has a 'single' database, and cannot create custom ones.
     // Therefore removing db info here, and publish merged at root mOTUs results
     // directory
@@ -51,6 +70,7 @@ workflow STANDARDISATION_PROFILES {
     ch_versions = ch_versions.mix( MOTUS_MERGE.out.versions )
 
     emit:
-    tables = ch_standardised_tables
+    tables   = ch_standardised_tables
     versions = ch_versions
+    mqc      = ch_multiqc_files
 }
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 2bd6c01..28d248b 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -267,6 +267,12 @@ workflow TAXPROFILER {
 
     ch_multiqc_files = ch_multiqc_files.mix( PROFILING.out.mqc.collect{it[1]}.ifEmpty([]) )
 
+    if ( params.run_profile_standardisation ) {
+        ch_multiqc_files = ch_multiqc_files.mix( STANDARDISATION_PROFILES.out.mqc.collect{it[1]}.ifEmpty([]) )
+    }
+
+    ch_multiqc_files = ch_multiqc_files.mix( PROFILING.out.mqc.collect{it[1]}.ifEmpty([]) )
+
     // TODO create multiQC module for metaphlan
     MULTIQC (
         ch_multiqc_files.collect()

From 175be0075a72b62987b23e237808d8938dcfa780 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 7 Sep 2022 11:22:06 +0200
Subject: [PATCH 337/789] Add tube map

---
 README.md | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/README.md b/README.md
index 08916c6..672c2a9 100644
--- a/README.md
+++ b/README.md
@@ -26,6 +26,8 @@ On release, automated continuous integration tests run the pipeline on a full-si
 
 <!-- TODO nf-core: Fill in short bullet-pointed list of the default steps in the pipeline -->
 
+![](docs/images/taxprofiler_tube.png)
+
 1. Read QC ([`FastQC`](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/))
 2. Performs optional read pre-processing
    - Adapter clipping and merging (short read: [fastp](https://github.com/OpenGene/fastp), [AdapterRemoval2](https://github.com/MikkelSchubert/adapterremoval); long read: [porechop](https://github.com/rrwick/Porechop))

From 3a6536b1494bb0c7a60af400d8e7ba2de25b5f39 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 7 Sep 2022 11:22:22 +0200
Subject: [PATCH 338/789] Add tube map properly

---
 docs/images/taxprofiler_tube.pdf |  Bin 0 -> 166185 bytes
 docs/images/taxprofiler_tube.png |  Bin 0 -> 663369 bytes
 docs/images/taxprofiler_tube.svg | 4407 ++++++++++++++++++++++++++++++
 3 files changed, 4407 insertions(+)
 create mode 100644 docs/images/taxprofiler_tube.pdf
 create mode 100644 docs/images/taxprofiler_tube.png
 create mode 100644 docs/images/taxprofiler_tube.svg

diff --git a/docs/images/taxprofiler_tube.pdf b/docs/images/taxprofiler_tube.pdf
new file mode 100644
index 0000000000000000000000000000000000000000..63d8c06090681b872fda18341063fdf52df96f65
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From 832d981976da4a49041d72fa519b3e56ff517543 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 7 Sep 2022 12:22:17 +0200
Subject: [PATCH 339/789] Don't have per sample directory as unnecessary if
 file names are unique with the db in them

---
 conf/modules.config | 24 ++++++++++++------------
 1 file changed, 12 insertions(+), 12 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 7c1ceba..e367a67 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -268,7 +268,7 @@ process {
         // one run with multiple samples, so fix ID to just db name to ensure clean log name
         ext.prefix = { "${meta.db_name}" }
         publishDir = [
-            path: { "${params.outdir}/malt/${meta.db_name}/${ext.prefix}" },
+            path: { "${params.outdir}/malt/${meta.db_name}/" },
             mode: params.publish_dir_mode,
             pattern: '*.{rma6,log,sam}'
         ]
@@ -278,7 +278,7 @@ process {
         ext.args = "-c2c Taxonomy"
         ext.prefix = { "${meta.id}" }
         publishDir = [
-            path: { "${params.outdir}/malt/${meta.db_name}/${ext.prefix}" },
+            path: { "${params.outdir}/malt/${meta.db_name}/" },
             mode: params.publish_dir_mode,
             pattern: '*.{txt.gz,megan}'
         ]
@@ -288,7 +288,7 @@ process {
         ext.args = { "${meta.db_params}" }
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
-            path: { "${params.outdir}/kraken2/${meta.db_name}/${ext.prefix}" },
+            path: { "${params.outdir}/kraken2/${meta.db_name}/" },
             mode: params.publish_dir_mode,
             pattern: '*.{txt,report,fastq.gz}'
         ]
@@ -297,7 +297,7 @@ process {
     withName: KRONA_CLEANUP {
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
-            path: { "${params.outdir}/krona/${ext.prefix}" },
+            path: { "${params.outdir}/krona/" },
             mode: params.publish_dir_mode,
             pattern: '*.{html}'
         ]
@@ -306,7 +306,7 @@ process {
     withName: KRONA_KTIMPORTTEXT {
         ext.prefix = { "${meta.tool}-${meta.id}" }
         publishDir = [
-            path: { "${params.outdir}/krona/${ext.prefix}" },
+            path: { "${params.outdir}/krona/" },
             mode: params.publish_dir_mode,
             pattern: '*.{html}'
         ]
@@ -321,7 +321,7 @@ process {
         ext.args = "-i"
         ext.prefix = { "${meta.tool}-${meta.id}" }
         publishDir = [
-            path: { "${params.outdir}/krona/${ext.prefix}" },
+            path: { "${params.outdir}/krona/" },
             mode: params.publish_dir_mode,
             pattern: '*.{html}'
         ]
@@ -331,7 +331,7 @@ process {
         ext.args = { "${meta.db_params}" }
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
-            path: { "${params.outdir}/metaphlan3/${meta.db_name}/${ext.prefix}" },
+            path: { "${params.outdir}/metaphlan3/${meta.db_name}/" },
             mode: params.publish_dir_mode,
             pattern: '*.{biom,txt}'
         ]
@@ -339,7 +339,7 @@ process {
 
     withName: CENTRIFUGE_CENTRIFUGE {
         publishDir = [
-            path: { "${params.outdir}/centrifuge/${meta.db_name}/${ext.prefix}" },
+            path: { "${params.outdir}/centrifuge/${meta.db_name}/" },
             mode: params.publish_dir_mode,
             pattern: '*.{txt,sam,gz}'
         ]
@@ -352,7 +352,7 @@ process {
         ext.args = { "${meta.db_params}" }
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}.centrifuge" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}.centrifuge" }
         publishDir = [
-            path: { "${params.outdir}/centrifuge/${meta.db_name}/${ext.prefix}" },
+            path: { "${params.outdir}/centrifuge/${meta.db_name}/" },
             mode: params.publish_dir_mode,
             pattern: '*.{txt}'
         ]
@@ -361,7 +361,7 @@ process {
     withName: KAIJU_KAIJU {
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
-            path: { "${params.outdir}/kaiju/${meta.db_name}/${ext.prefix}" },
+            path: { "${params.outdir}/kaiju/${meta.db_name}/" },
             mode: params.publish_dir_mode,
             pattern: '*.tsv'
         ]
@@ -385,7 +385,7 @@ process {
         ext.args = { "${meta.db_params}" }
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
-            path: { "${params.outdir}/diamond/${meta.db_name}/${ext.prefix}" },
+            path: { "${params.outdir}/diamond/${meta.db_name}/" },
             mode: params.publish_dir_mode,
             pattern: '*.{blast,xml,txt,daa,sam,tsv,paf,log}'
         ]
@@ -394,7 +394,7 @@ process {
     withName: MOTUS_PROFILE {
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
-            path: { "${params.outdir}/motus/${meta.db_name}/${ext.prefix}" },
+            path: { "${params.outdir}/motus/${meta.db_name}/" },
             mode: params.publish_dir_mode
         ]
     }

From bbd8049ca1690fbd40f9785d7af93768cc0b50da Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 7 Sep 2022 13:44:08 +0200
Subject: [PATCH 340/789] Remove duplicated multqic mixing

---
 workflows/taxprofiler.nf | 2 --
 1 file changed, 2 deletions(-)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 28d248b..a47b803 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -271,8 +271,6 @@ workflow TAXPROFILER {
         ch_multiqc_files = ch_multiqc_files.mix( STANDARDISATION_PROFILES.out.mqc.collect{it[1]}.ifEmpty([]) )
     }
 
-    ch_multiqc_files = ch_multiqc_files.mix( PROFILING.out.mqc.collect{it[1]}.ifEmpty([]) )
-
     // TODO create multiQC module for metaphlan
     MULTIQC (
         ch_multiqc_files.collect()

From d11257b330dc69b8c96af5c22293b258e4ee63fa Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 8 Sep 2022 08:08:36 +0200
Subject: [PATCH 341/789] Module update

---
 modules.json                                  | 232 ++++++++++--------
 modules/nf-core/modules/bbmap/bbduk/meta.yml  |   1 +
 modules/nf-core/modules/bowtie2/align/main.nf | 104 ++++----
 .../nf-core/modules/bowtie2/align/meta.yml    |  11 +
 modules/nf-core/modules/cat/fastq/main.nf     |  33 ++-
 .../custom/dumpsoftwareversions/main.nf       |   8 +-
 .../templates/dumpsoftwareversions.py         |  14 +-
 modules/nf-core/modules/fastp/main.nf         |  22 +-
 modules/nf-core/modules/fastp/meta.yml        |   4 +-
 modules/nf-core/modules/fastqc/main.nf        |  12 +
 modules/nf-core/modules/gunzip/main.nf        |  10 +
 .../nf-core/modules/kraken2/kraken2/main.nf   |  22 +-
 .../modules/krakentools/kreport2krona/main.nf |   4 +-
 .../metaphlan3/{ => metaphlan3}/main.nf       |   5 +-
 .../metaphlan3/{ => metaphlan3}/meta.yml      |   6 +
 modules/nf-core/modules/multiqc/main.nf       |  28 ++-
 modules/nf-core/modules/multiqc/meta.yml      |   8 +
 modules/nf-core/modules/samtools/view/main.nf |   2 +-
 modules/nf-core/modules/untar/main.nf         |  27 +-
 subworkflows/local/profiling.nf               |   2 +-
 subworkflows/local/shortread_hostremoval.nf   |   2 +-
 workflows/taxprofiler.nf                      |   2 +-
 22 files changed, 353 insertions(+), 206 deletions(-)
 rename modules/nf-core/modules/metaphlan3/{ => metaphlan3}/main.nf (94%)
 rename modules/nf-core/modules/metaphlan3/{ => metaphlan3}/meta.yml (82%)

diff --git a/modules.json b/modules.json
index 33c0c10..ecac44a 100644
--- a/modules.json
+++ b/modules.json
@@ -3,104 +3,140 @@
     "homePage": "https://github.com/nf-core/taxprofiler",
     "repos": {
         "nf-core/modules": {
-            "adapterremoval": {
-                "git_sha": "879d42c5e28661fe0a5e744c9e2c515868f9e08a"
-            },
-            "bbmap/bbduk": {
-                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
-            },
-            "bowtie2/align": {
-                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
-            },
-            "bowtie2/build": {
-                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
-            },
-            "cat/fastq": {
-                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
-            },
-            "centrifuge/centrifuge": {
-                "git_sha": "d2726fcf75063960f06b36d2229a4c0966614108"
-            },
-            "centrifuge/kreport": {
-                "git_sha": "734d0db6079a4aa43b6509b207e5d6feb35d4838"
-            },
-            "custom/dumpsoftwareversions": {
-                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
-            },
-            "diamond/blastx": {
-                "git_sha": "3531824af826c16cd252bc5aa82ae169b244ebaa"
-            },
-            "fastp": {
-                "git_sha": "d0a1cbb703a130c19f6796c3fce24fbe7dfce789"
-            },
-            "fastqc": {
-                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
-            },
-            "filtlong": {
-                "git_sha": "957cb9b83668075f4af101fc99502908cca487e3"
-            },
-            "gunzip": {
-                "git_sha": "9aadd9a6d3f5964476582319b3a1c54a3e3fe7c9"
-            },
-            "kaiju/kaiju": {
-                "git_sha": "8856f127c58f6af479128be8b8df4d42e442ddbe"
-            },
-            "kaiju/kaiju2krona": {
-                "git_sha": "2f0b19240430de6807b1232e6d9d0e8084e8a28f"
-            },
-            "kaiju/kaiju2table": {
-                "git_sha": "538dbac98ba9c8f799536cd5a617195501439457"
-            },
-            "kraken2/kraken2": {
-                "git_sha": "abe025677cdd805cc93032341ab19885473c1a07"
-            },
-            "krakentools/kreport2krona": {
-                "git_sha": "8b2a473f586bed003e72d2b183acc43fc0ddc422"
-            },
-            "krona/ktimporttaxonomy": {
-                "git_sha": "0e9fd9370ad1845870b8a9c63fcc47d999a1739e"
-            },
-            "krona/ktimporttext": {
-                "git_sha": "cdefbec66999c0b49d8bfeea9d6f9d19056635a2"
-            },
-            "malt/run": {
-                "git_sha": "be8d7b3293cac26cc63e4dbfb364deb8ed6ec7e5"
-            },
-            "megan/rma2info": {
-                "git_sha": "2d38566eca4cc15142b2ffa7c11837569b39aece"
-            },
-            "metaphlan3": {
-                "git_sha": "ed4dd1a928ebf4308efb720de878045f7773f8e2"
-            },
-            "minimap2/align": {
-                "git_sha": "1a5a9e7b4009dcf34e6867dd1a5a1d9a718b027b"
-            },
-            "minimap2/index": {
-                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
-            },
-            "motus/merge": {
-                "git_sha": "b02e648c221e1da17cb589eefe297e61ec9e9c49"
-            },
-            "motus/profile": {
-                "git_sha": "b6ed584443ad68ac41e6975994139454a4f23c18"
-            },
-            "multiqc": {
-                "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
-            },
-            "porechop": {
-                "git_sha": "b78e19b9dae3671db2c7d4346fe04452c1debfab"
-            },
-            "prinseqplusplus": {
-                "git_sha": "f1c5384c31e985591716afdd732cf8c2ae29d05b"
-            },
-            "samtools/bam2fq": {
-                "git_sha": "5510ea39fe638594bc26ac34cadf4a84bf27d159"
-            },
-            "samtools/view": {
-                "git_sha": "6b64f9cb6c3dd3577931cc3cd032d6fb730000ce"
-            },
-            "untar": {
-                "git_sha": "e080f4c8acf5760039ed12ec1f206170f3f9a918"
+            "git_url": "https://github.com/nf-core/modules.git",
+            "modules": {
+                "adapterremoval": {
+                    "branch": "master",
+                    "git_sha": "879d42c5e28661fe0a5e744c9e2c515868f9e08a"
+                },
+                "bbmap/bbduk": {
+                    "branch": "master",
+                    "git_sha": "848ee9a215d02d80be033bfa60881700f2bd914c"
+                },
+                "bowtie2/align": {
+                    "branch": "master",
+                    "git_sha": "848ee9a215d02d80be033bfa60881700f2bd914c"
+                },
+                "bowtie2/build": {
+                    "branch": "master",
+                    "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
+                },
+                "cat/fastq": {
+                    "branch": "master",
+                    "git_sha": "b034029b59b1198075da8019074bc02051a6100e"
+                },
+                "centrifuge/centrifuge": {
+                    "branch": "master",
+                    "git_sha": "d2726fcf75063960f06b36d2229a4c0966614108"
+                },
+                "centrifuge/kreport": {
+                    "branch": "master",
+                    "git_sha": "734d0db6079a4aa43b6509b207e5d6feb35d4838"
+                },
+                "custom/dumpsoftwareversions": {
+                    "branch": "master",
+                    "git_sha": "5e7b1ef9a5a2d9258635bcbf70fcf37dacd1b247"
+                },
+                "diamond/blastx": {
+                    "branch": "master",
+                    "git_sha": "3531824af826c16cd252bc5aa82ae169b244ebaa"
+                },
+                "fastp": {
+                    "branch": "master",
+                    "git_sha": "7e8ad566883449e7939062b5e2bcf53fc1e0002f"
+                },
+                "fastqc": {
+                    "branch": "master",
+                    "git_sha": "49b18b1639f4f7104187058866a8fab33332bdfe"
+                },
+                "filtlong": {
+                    "branch": "master",
+                    "git_sha": "957cb9b83668075f4af101fc99502908cca487e3"
+                },
+                "gunzip": {
+                    "branch": "master",
+                    "git_sha": "fa37e0662690c4ec4260dae282fbce08777503e6"
+                },
+                "kaiju/kaiju": {
+                    "branch": "master",
+                    "git_sha": "8856f127c58f6af479128be8b8df4d42e442ddbe"
+                },
+                "kaiju/kaiju2krona": {
+                    "branch": "master",
+                    "git_sha": "2f0b19240430de6807b1232e6d9d0e8084e8a28f"
+                },
+                "kaiju/kaiju2table": {
+                    "branch": "master",
+                    "git_sha": "538dbac98ba9c8f799536cd5a617195501439457"
+                },
+                "kraken2/kraken2": {
+                    "branch": "master",
+                    "git_sha": "409a308ba46284d8ebb48c2c1befd6f6433db3f7"
+                },
+                "krakentools/kreport2krona": {
+                    "branch": "master",
+                    "git_sha": "233fa70811a03a4cecb2ece483b5c8396e2cee1d"
+                },
+                "krona/ktimporttaxonomy": {
+                    "branch": "master",
+                    "git_sha": "0e9fd9370ad1845870b8a9c63fcc47d999a1739e"
+                },
+                "krona/ktimporttext": {
+                    "branch": "master",
+                    "git_sha": "cdefbec66999c0b49d8bfeea9d6f9d19056635a2"
+                },
+                "malt/run": {
+                    "branch": "master",
+                    "git_sha": "be8d7b3293cac26cc63e4dbfb364deb8ed6ec7e5"
+                },
+                "megan/rma2info": {
+                    "branch": "master",
+                    "git_sha": "2d38566eca4cc15142b2ffa7c11837569b39aece"
+                },
+                "metaphlan3/metaphlan3": {
+                    "branch": "master",
+                    "git_sha": "940d7fe9d63962e0e2ba0987e2893fb0aff832e3"
+                },
+                "minimap2/align": {
+                    "branch": "master",
+                    "git_sha": "1a5a9e7b4009dcf34e6867dd1a5a1d9a718b027b"
+                },
+                "minimap2/index": {
+                    "branch": "master",
+                    "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
+                },
+                "motus/merge": {
+                    "branch": "master",
+                    "git_sha": "b02e648c221e1da17cb589eefe297e61ec9e9c49"
+                },
+                "motus/profile": {
+                    "branch": "master",
+                    "git_sha": "b6ed584443ad68ac41e6975994139454a4f23c18"
+                },
+                "multiqc": {
+                    "branch": "master",
+                    "git_sha": "5138acca0985ca01c38a1c4fba917d83772b1106"
+                },
+                "porechop": {
+                    "branch": "master",
+                    "git_sha": "b78e19b9dae3671db2c7d4346fe04452c1debfab"
+                },
+                "prinseqplusplus": {
+                    "branch": "master",
+                    "git_sha": "f1c5384c31e985591716afdd732cf8c2ae29d05b"
+                },
+                "samtools/bam2fq": {
+                    "branch": "master",
+                    "git_sha": "5510ea39fe638594bc26ac34cadf4a84bf27d159"
+                },
+                "samtools/view": {
+                    "branch": "master",
+                    "git_sha": "5e7b1ef9a5a2d9258635bcbf70fcf37dacd1b247"
+                },
+                "untar": {
+                    "branch": "master",
+                    "git_sha": "5e7b1ef9a5a2d9258635bcbf70fcf37dacd1b247"
+                }
             }
         }
     }
diff --git a/modules/nf-core/modules/bbmap/bbduk/meta.yml b/modules/nf-core/modules/bbmap/bbduk/meta.yml
index 6abd3d9..d79b9d0 100644
--- a/modules/nf-core/modules/bbmap/bbduk/meta.yml
+++ b/modules/nf-core/modules/bbmap/bbduk/meta.yml
@@ -4,6 +4,7 @@ keywords:
   - trimming
   - adapter trimming
   - quality trimming
+  - fastq
 tools:
   - bbmap:
       description: BBMap is a short read aligner, as well as various other bioinformatic tools.
diff --git a/modules/nf-core/modules/bowtie2/align/main.nf b/modules/nf-core/modules/bowtie2/align/main.nf
index 7e8a965..c74e376 100644
--- a/modules/nf-core/modules/bowtie2/align/main.nf
+++ b/modules/nf-core/modules/bowtie2/align/main.nf
@@ -1,77 +1,71 @@
 process BOWTIE2_ALIGN {
     tag "$meta.id"
-    label 'process_high'
+    label "process_high"
 
-    conda (params.enable_conda ? 'bioconda::bowtie2=2.4.4 bioconda::samtools=1.14 conda-forge::pigz=2.6' : null)
-    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/mulled-v2-ac74a7f02cebcfcc07d8e8d1d750af9c83b4d45a:4d235f41348a00533f18e47c9669f1ecb327f629-0' :
-        'quay.io/biocontainers/mulled-v2-ac74a7f02cebcfcc07d8e8d1d750af9c83b4d45a:4d235f41348a00533f18e47c9669f1ecb327f629-0' }"
+    conda (params.enable_conda ? "bioconda::bowtie2=2.4.4 bioconda::samtools=1.15.1 conda-forge::pigz=2.6" : null)
+    container "${ workflow.containerEngine == "singularity" && !task.ext.singularity_pull_docker_container ?
+        "https://depot.galaxyproject.org/singularity/mulled-v2-ac74a7f02cebcfcc07d8e8d1d750af9c83b4d45a:1744f68fe955578c63054b55309e05b41c37a80d-0" :
+        "quay.io/biocontainers/mulled-v2-ac74a7f02cebcfcc07d8e8d1d750af9c83b4d45a:1744f68fe955578c63054b55309e05b41c37a80d-0" }"
 
     input:
     tuple val(meta), path(reads)
     path  index
     val   save_unaligned
+    val   sort_bam
 
     output:
-    tuple val(meta), path('*.bam')    , emit: bam
-    tuple val(meta), path('*.log')    , emit: log
-    tuple val(meta), path('*fastq.gz'), emit: fastq, optional:true
+    tuple val(meta), path("*.bam")    , emit: bam
+    tuple val(meta), path("*.log")    , emit: log
+    tuple val(meta), path("*fastq.gz"), emit: fastq, optional:true
     path  "versions.yml"              , emit: versions
 
     when:
     task.ext.when == null || task.ext.when
 
     script:
-    def args = task.ext.args ?: ''
-    def args2 = task.ext.args2 ?: ''
+    def args = task.ext.args ?: ""
+    def args2 = task.ext.args2 ?: ""
     def prefix = task.ext.prefix ?: "${meta.id}"
-    if (meta.single_end) {
-        def unaligned = save_unaligned ? "--un-gz ${prefix}.unmapped.fastq.gz" : ''
-        """
-        INDEX=`find -L ./ -name "*.rev.1.bt2" | sed 's/.rev.1.bt2//'`
-        bowtie2 \\
-            -x \$INDEX \\
-            -U $reads \\
-            --threads $task.cpus \\
-            $unaligned \\
-            $args \\
-            2> ${prefix}.bowtie2.log \\
-            | samtools view -@ $task.cpus $args2 -bhS -o ${prefix}.bam -
 
-        cat <<-END_VERSIONS > versions.yml
-        "${task.process}":
-            bowtie2: \$(echo \$(bowtie2 --version 2>&1) | sed 's/^.*bowtie2-align-s version //; s/ .*\$//')
-            samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//')
-            pigz: \$( pigz --version 2>&1 | sed 's/pigz //g' )
-        END_VERSIONS
-        """
+    def unaligned = ""
+    def reads_args = ""
+    if (meta.single_end) {
+        unaligned = save_unaligned ? "--un-gz ${prefix}.unmapped.fastq.gz" : ""
+        reads_args = "-U ${reads}"
     } else {
-        def unaligned = save_unaligned ? "--un-conc-gz ${prefix}.unmapped.fastq.gz" : ''
-        """
-        INDEX=`find -L ./ -name "*.rev.1.bt2" | sed 's/.rev.1.bt2//'`
-        bowtie2 \\
-            -x \$INDEX \\
-            -1 ${reads[0]} \\
-            -2 ${reads[1]} \\
-            --threads $task.cpus \\
-            $unaligned \\
-            $args \\
-            2> ${prefix}.bowtie2.log \\
-            | samtools view -@ $task.cpus $args2 -bhS -o ${prefix}.bam -
+        unaligned = save_unaligned ? "--un-conc-gz ${prefix}.unmapped.fastq.gz" : ""
+        reads_args = "-1 ${reads[0]} -2 ${reads[1]}"
+    }
 
-        if [ -f ${prefix}.unmapped.fastq.1.gz ]; then
-            mv ${prefix}.unmapped.fastq.1.gz ${prefix}.unmapped_1.fastq.gz
-        fi
-        if [ -f ${prefix}.unmapped.fastq.2.gz ]; then
-            mv ${prefix}.unmapped.fastq.2.gz ${prefix}.unmapped_2.fastq.gz
-        fi
+    def samtools_command = sort_bam ? 'sort' : 'view'
 
-        cat <<-END_VERSIONS > versions.yml
-        "${task.process}":
-            bowtie2: \$(echo \$(bowtie2 --version 2>&1) | sed 's/^.*bowtie2-align-s version //; s/ .*\$//')
-            samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//')
-            pigz: \$( pigz --version 2>&1 | sed 's/pigz //g' )
-        END_VERSIONS
-        """
-    }
+    """
+    INDEX=`find -L ./ -name "*.rev.1.bt2" | sed "s/.rev.1.bt2//"`
+    [ -z "\$INDEX" ] && INDEX=`find -L ./ -name "*.rev.1.bt2l" | sed "s/.rev.1.bt2l//"`
+    [ -z "\$INDEX" ] && echo "Bowtie2 index files not found" 1>&2 && exit 1
+
+    bowtie2 \\
+        -x \$INDEX \\
+        $reads_args \\
+        --threads $task.cpus \\
+        $unaligned \\
+        $args \\
+        2> ${prefix}.bowtie2.log \\
+        | samtools $samtools_command $args2 --threads $task.cpus -o ${prefix}.bam -
+
+    if [ -f ${prefix}.unmapped.fastq.1.gz ]; then
+        mv ${prefix}.unmapped.fastq.1.gz ${prefix}.unmapped_1.fastq.gz
+    fi
+
+    if [ -f ${prefix}.unmapped.fastq.2.gz ]; then
+        mv ${prefix}.unmapped.fastq.2.gz ${prefix}.unmapped_2.fastq.gz
+    fi
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        bowtie2: \$(echo \$(bowtie2 --version 2>&1) | sed 's/^.*bowtie2-align-s version //; s/ .*\$//')
+        samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//')
+        pigz: \$( pigz --version 2>&1 | sed 's/pigz //g' )
+    END_VERSIONS
+    """
 }
diff --git a/modules/nf-core/modules/bowtie2/align/meta.yml b/modules/nf-core/modules/bowtie2/align/meta.yml
index f80421e..42ba0f9 100644
--- a/modules/nf-core/modules/bowtie2/align/meta.yml
+++ b/modules/nf-core/modules/bowtie2/align/meta.yml
@@ -2,7 +2,9 @@ name: bowtie2_align
 description: Align reads to a reference genome using bowtie2
 keywords:
   - align
+  - map
   - fasta
+  - fastq
   - genome
   - reference
 tools:
@@ -29,6 +31,15 @@ input:
       type: file
       description: Bowtie2 genome index files
       pattern: "*.ebwt"
+  - save_unaligned:
+      type: boolean
+      description: |
+        Save reads that do not map to the reference (true) or discard them (false)
+        (default: false)
+  - sort_bam:
+      type: boolean
+      description: use samtools sort (true) or samtools view (false)
+      pattern: "true or false"
 output:
   - bam:
       type: file
diff --git a/modules/nf-core/modules/cat/fastq/main.nf b/modules/nf-core/modules/cat/fastq/main.nf
index bf0877c..d275f19 100644
--- a/modules/nf-core/modules/cat/fastq/main.nf
+++ b/modules/nf-core/modules/cat/fastq/main.nf
@@ -4,8 +4,8 @@ process CAT_FASTQ {
 
     conda (params.enable_conda ? "conda-forge::sed=4.7" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://containers.biocontainers.pro/s3/SingImgsRepo/biocontainers/v1.2.0_cv1/biocontainers_v1.2.0_cv1.img' :
-        'biocontainers/biocontainers:v1.2.0_cv1' }"
+        'https://depot.galaxyproject.org/singularity/ubuntu:20.04' :
+        'ubuntu:20.04' }"
 
     input:
     tuple val(meta), path(reads, stageAs: "input*/*")
@@ -48,4 +48,33 @@ process CAT_FASTQ {
             """
         }
     }
+
+    stub:
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    def readList = reads.collect{ it.toString() }
+    if (meta.single_end) {
+        if (readList.size > 1) {
+            """
+            touch ${prefix}.merged.fastq.gz
+
+            cat <<-END_VERSIONS > versions.yml
+            "${task.process}":
+                cat: \$(echo \$(cat --version 2>&1) | sed 's/^.*coreutils) //; s/ .*\$//')
+            END_VERSIONS
+            """
+        }
+    } else {
+        if (readList.size > 2) {
+            """
+            touch ${prefix}_1.merged.fastq.gz
+            touch ${prefix}_2.merged.fastq.gz
+
+            cat <<-END_VERSIONS > versions.yml
+            "${task.process}":
+                cat: \$(echo \$(cat --version 2>&1) | sed 's/^.*coreutils) //; s/ .*\$//')
+            END_VERSIONS
+            """
+        }
+    }
+
 }
diff --git a/modules/nf-core/modules/custom/dumpsoftwareversions/main.nf b/modules/nf-core/modules/custom/dumpsoftwareversions/main.nf
index 327d510..34b50b9 100644
--- a/modules/nf-core/modules/custom/dumpsoftwareversions/main.nf
+++ b/modules/nf-core/modules/custom/dumpsoftwareversions/main.nf
@@ -1,11 +1,11 @@
 process CUSTOM_DUMPSOFTWAREVERSIONS {
-    label 'process_low'
+    label 'process_single'
 
     // Requires `pyyaml` which does not have a dedicated container but is in the MultiQC container
-    conda (params.enable_conda ? "bioconda::multiqc=1.11" : null)
+    conda (params.enable_conda ? 'bioconda::multiqc=1.13a' : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/multiqc:1.11--pyhdfd78af_0' :
-        'quay.io/biocontainers/multiqc:1.11--pyhdfd78af_0' }"
+        'https://depot.galaxyproject.org/singularity/multiqc:1.13a--pyhdfd78af_1' :
+        'quay.io/biocontainers/multiqc:1.13a--pyhdfd78af_1' }"
 
     input:
     path versions
diff --git a/modules/nf-core/modules/custom/dumpsoftwareversions/templates/dumpsoftwareversions.py b/modules/nf-core/modules/custom/dumpsoftwareversions/templates/dumpsoftwareversions.py
index 787bdb7..d139039 100644
--- a/modules/nf-core/modules/custom/dumpsoftwareversions/templates/dumpsoftwareversions.py
+++ b/modules/nf-core/modules/custom/dumpsoftwareversions/templates/dumpsoftwareversions.py
@@ -1,10 +1,9 @@
 #!/usr/bin/env python
 
+import yaml
 import platform
 from textwrap import dedent
 
-import yaml
-
 
 def _make_versions_html(versions):
     html = [
@@ -59,12 +58,11 @@ versions_by_module = {}
 for process, process_versions in versions_by_process.items():
     module = process.split(":")[-1]
     try:
-        if versions_by_module[module] != process_versions:
-            raise AssertionError(
-                "We assume that software versions are the same between all modules. "
-                "If you see this error-message it means you discovered an edge-case "
-                "and should open an issue in nf-core/tools. "
-            )
+        assert versions_by_module[module] == process_versions, (
+            "We assume that software versions are the same between all modules. "
+            "If you see this error-message it means you discovered an edge-case "
+            "and should open an issue in nf-core/tools. "
+        )
     except KeyError:
         versions_by_module[module] = process_versions
 
diff --git a/modules/nf-core/modules/fastp/main.nf b/modules/nf-core/modules/fastp/main.nf
index 5c9e3b8..d9134e1 100644
--- a/modules/nf-core/modules/fastp/main.nf
+++ b/modules/nf-core/modules/fastp/main.nf
@@ -13,7 +13,7 @@ process FASTP {
     val   save_merged
 
     output:
-    tuple val(meta), path('*.trim.fastq.gz')  , optional:true, emit: reads
+    tuple val(meta), path('*.fastp.fastq.gz') , optional:true, emit: reads
     tuple val(meta), path('*.json')           , emit: json
     tuple val(meta), path('*.html')           , emit: html
     tuple val(meta), path('*.log')            , emit: log
@@ -28,19 +28,23 @@ process FASTP {
     def args = task.ext.args ?: ''
     // Added soft-links to original fastqs for consistent naming in MultiQC
     def prefix = task.ext.prefix ?: "${meta.id}"
+    // Use single ended for interleaved. Add --interleaved_in in config.
     if (meta.single_end) {
         def fail_fastq = save_trimmed_fail ? "--failed_out ${prefix}.fail.fastq.gz" : ''
         """
-        [ ! -f  ${prefix}.fastq.gz ] && ln -s $reads ${prefix}.fastq.gz
-        fastp \\
+        [ ! -f  ${prefix}.fastq.gz ] && ln -sf $reads ${prefix}.fastq.gz
+        cat ${prefix}.fastq.gz \\
+        | fastp \\
+            --stdin \\
+            --stdout \\
             --in1 ${prefix}.fastq.gz \\
-            --out1 ${prefix}.trim.fastq.gz \\
             --thread $task.cpus \\
             --json ${prefix}.fastp.json \\
             --html ${prefix}.fastp.html \\
             $fail_fastq \\
             $args \\
-            2> ${prefix}.fastp.log
+            2> ${prefix}.fastp.log \\
+        | gzip -c > ${prefix}.fastp.fastq.gz
         cat <<-END_VERSIONS > versions.yml
         "${task.process}":
             fastp: \$(fastp --version 2>&1 | sed -e "s/fastp //g")
@@ -50,13 +54,13 @@ process FASTP {
         def fail_fastq  = save_trimmed_fail ? "--unpaired1 ${prefix}_1.fail.fastq.gz --unpaired2 ${prefix}_2.fail.fastq.gz" : ''
         def merge_fastq = save_merged ? "-m --merged_out ${prefix}.merged.fastq.gz" : ''
         """
-        [ ! -f  ${prefix}_1.fastq.gz ] && ln -s ${reads[0]} ${prefix}_1.fastq.gz
-        [ ! -f  ${prefix}_2.fastq.gz ] && ln -s ${reads[1]} ${prefix}_2.fastq.gz
+        [ ! -f  ${prefix}_1.fastq.gz ] && ln -sf ${reads[0]} ${prefix}_1.fastq.gz
+        [ ! -f  ${prefix}_2.fastq.gz ] && ln -sf ${reads[1]} ${prefix}_2.fastq.gz
         fastp \\
             --in1 ${prefix}_1.fastq.gz \\
             --in2 ${prefix}_2.fastq.gz \\
-            --out1 ${prefix}_1.trim.fastq.gz \\
-            --out2 ${prefix}_2.trim.fastq.gz \\
+            --out1 ${prefix}_1.fastp.fastq.gz \\
+            --out2 ${prefix}_2.fastp.fastq.gz \\
             --json ${prefix}.fastp.json \\
             --html ${prefix}.fastp.html \\
             $fail_fastq \\
diff --git a/modules/nf-core/modules/fastp/meta.yml b/modules/nf-core/modules/fastp/meta.yml
index 3274e41..598c336 100644
--- a/modules/nf-core/modules/fastp/meta.yml
+++ b/modules/nf-core/modules/fastp/meta.yml
@@ -15,7 +15,7 @@ input:
   - meta:
       type: map
       description: |
-        Groovy Map containing sample information
+        Groovy Map containing sample information. Use 'single_end: true' to specify single ended or interleaved FASTQs. Use 'single_end: false' for paired-end reads.
         e.g. [ id:'test', single_end:false ]
   - reads:
       type: file
@@ -38,7 +38,7 @@ output:
   - reads:
       type: file
       description: The trimmed/modified/unmerged fastq reads
-      pattern: "*trim.fastq.gz"
+      pattern: "*fastp.fastq.gz"
   - json:
       type: file
       description: Results in JSON format
diff --git a/modules/nf-core/modules/fastqc/main.nf b/modules/nf-core/modules/fastqc/main.nf
index ed6b8c5..0573036 100644
--- a/modules/nf-core/modules/fastqc/main.nf
+++ b/modules/nf-core/modules/fastqc/main.nf
@@ -44,4 +44,16 @@ process FASTQC {
         END_VERSIONS
         """
     }
+
+    stub:
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    """
+    touch ${prefix}.html
+    touch ${prefix}.zip
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        fastqc: \$( fastqc --version | sed -e "s/FastQC v//g" )
+    END_VERSIONS
+    """
 }
diff --git a/modules/nf-core/modules/gunzip/main.nf b/modules/nf-core/modules/gunzip/main.nf
index 61bf1af..7036704 100644
--- a/modules/nf-core/modules/gunzip/main.nf
+++ b/modules/nf-core/modules/gunzip/main.nf
@@ -31,4 +31,14 @@ process GUNZIP {
         gunzip: \$(echo \$(gunzip --version 2>&1) | sed 's/^.*(gzip) //; s/ Copyright.*\$//')
     END_VERSIONS
     """
+
+    stub:
+    gunzip = archive.toString() - '.gz'
+    """
+    touch $gunzip
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        gunzip: \$(echo \$(gunzip --version 2>&1) | sed 's/^.*(gzip) //; s/ Copyright.*\$//')
+    END_VERSIONS
+    """
 }
diff --git a/modules/nf-core/modules/kraken2/kraken2/main.nf b/modules/nf-core/modules/kraken2/kraken2/main.nf
index d400023..43a1679 100644
--- a/modules/nf-core/modules/kraken2/kraken2/main.nf
+++ b/modules/nf-core/modules/kraken2/kraken2/main.nf
@@ -14,11 +14,11 @@ process KRAKEN2_KRAKEN2 {
     val save_reads_assignment
 
     output:
-    tuple val(meta), path('*classified*')     , optional:true, emit: classified_reads_fastq
-    tuple val(meta), path('*unclassified*')   , optional:true, emit: unclassified_reads_fastq
-    tuple val(meta), path('*classifiedreads*'), optional:true, emit: classified_reads_assignment
-    tuple val(meta), path('*report.txt')                     , emit: report
-    path "versions.yml"                                      , emit: versions
+    tuple val(meta), path('*.classified{.,_}*')     , optional:true, emit: classified_reads_fastq
+    tuple val(meta), path('*.unclassified{.,_}*')   , optional:true, emit: unclassified_reads_fastq
+    tuple val(meta), path('*classifiedreads.txt')   , optional:true, emit: classified_reads_assignment
+    tuple val(meta), path('*report.txt')                           , emit: report
+    path "versions.yml"                                            , emit: versions
 
     when:
     task.ext.when == null || task.ext.when
@@ -29,9 +29,9 @@ process KRAKEN2_KRAKEN2 {
     def paired       = meta.single_end ? "" : "--paired"
     def classified   = meta.single_end ? "${prefix}.classified.fastq"   : "${prefix}.classified#.fastq"
     def unclassified = meta.single_end ? "${prefix}.unclassified.fastq" : "${prefix}.unclassified#.fastq"
-    def classified_command = save_output_fastqs ? "--classified-out ${classified}" : ""
-    def unclassified_command = save_output_fastqs ? "--unclassified-out ${unclassified}" : ""
-    def readclassification_command = save_reads_assignment ? "--output ${prefix}.kraken2.classifiedreads.txt" : ""
+    def classified_option = save_output_fastqs ? "--classified-out ${classified}" : ""
+    def unclassified_option = save_output_fastqs ? "--unclassified-out ${unclassified}" : ""
+    def readclassification_option = save_reads_assignment ? "--output ${prefix}.kraken2.classifiedreads.txt" : ""
     def compress_reads_command = save_output_fastqs ? "pigz -p $task.cpus *.fastq" : ""
 
     """
@@ -40,9 +40,9 @@ process KRAKEN2_KRAKEN2 {
         --threads $task.cpus \\
         --report ${prefix}.kraken2.report.txt \\
         --gzip-compressed \\
-        $unclassified_command \\
-        $classified_command \\
-        $readclassification_command \\
+        $unclassified_option \\
+        $classified_option \\
+        $readclassification_option \\
         $paired \\
         $args \\
         $reads
diff --git a/modules/nf-core/modules/krakentools/kreport2krona/main.nf b/modules/nf-core/modules/krakentools/kreport2krona/main.nf
index 3bf46ee..1fcb1e4 100644
--- a/modules/nf-core/modules/krakentools/kreport2krona/main.nf
+++ b/modules/nf-core/modules/krakentools/kreport2krona/main.nf
@@ -1,9 +1,8 @@
-def VERSION = '1.2' // Version information not provided by tool on CLI
-
 process KRAKENTOOLS_KREPORT2KRONA {
     tag "$meta.id"
     label 'process_low'
 
+    // WARN: Version information not provided by tool on CLI. Please update version string below when bumping container versions.
     conda (params.enable_conda ? "bioconda::krakentools=1.2" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/krakentools:1.2--pyh5e36f6f_0':
@@ -22,6 +21,7 @@ process KRAKENTOOLS_KREPORT2KRONA {
     script:
     def args = task.ext.args ?: ''
     def prefix = task.ext.prefix ?: "${meta.id}"
+    def VERSION = '1.2' // WARN: Version information not provided by tool on CLI. Please update this string when bumping container versions.
     """
     kreport2krona.py \\
         -r ${kreport} \\
diff --git a/modules/nf-core/modules/metaphlan3/main.nf b/modules/nf-core/modules/metaphlan3/metaphlan3/main.nf
similarity index 94%
rename from modules/nf-core/modules/metaphlan3/main.nf
rename to modules/nf-core/modules/metaphlan3/metaphlan3/main.nf
index bff0eb9..e56f102 100644
--- a/modules/nf-core/modules/metaphlan3/main.nf
+++ b/modules/nf-core/modules/metaphlan3/metaphlan3/main.nf
@@ -28,15 +28,18 @@ process METAPHLAN3 {
     def bowtie2_out = "$input_type" == "--input_type bowtie2out" || "$input_type" == "--input_type sam" ? '' : "--bowtie2out ${prefix}.bowtie2out.txt"
 
     """
+    BT2_DB=`find -L "${metaphlan_db}" -name "*rev.1.bt2" -exec dirname {} \\;`
+
     metaphlan \\
         --nproc $task.cpus \\
         $input_type \\
         $input_data \\
         $args \\
         $bowtie2_out \\
-        --bowtie2db ${metaphlan_db} \\
+        --bowtie2db \$BT2_DB \\
         --biom ${prefix}.biom \\
         --output_file ${prefix}_profile.txt
+
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":
         metaphlan3: \$(metaphlan --version 2>&1 | awk '{print \$3}')
diff --git a/modules/nf-core/modules/metaphlan3/meta.yml b/modules/nf-core/modules/metaphlan3/metaphlan3/meta.yml
similarity index 82%
rename from modules/nf-core/modules/metaphlan3/meta.yml
rename to modules/nf-core/modules/metaphlan3/metaphlan3/meta.yml
index d10a27d..093de5b 100644
--- a/modules/nf-core/modules/metaphlan3/meta.yml
+++ b/modules/nf-core/modules/metaphlan3/metaphlan3/meta.yml
@@ -24,6 +24,12 @@ input:
       type: file
       description: Metaphlan 3.0 can classify the metagenome from a variety of input data types, including FASTQ files (single-end and paired-end), FASTA, bowtie2-produced SAM files (produced from alignments to the MetaPHlAn marker database) and intermediate bowtie2 alignment files (bowtie2out)
       pattern: "*.{fastq.gz, fasta, fasta.gz, sam, bowtie2out.txt}"
+  - metaphlan_db:
+      type: file
+      description: |
+        Directory containing pre-downloaded and uncompressed MetaPhlAn3 database downloaded from: http://cmprod1.cibio.unitn.it/biobakery3/metaphlan_databases/.
+        Note that you will also need to specify `--index` and the database version name (e.g. 'mpa_v31_CHOCOPhlAn_201901') in your module.conf ext.args for METAPHLAN3_METAPHLAN3!
+      pattern: "*/"
 
 output:
   - meta:
diff --git a/modules/nf-core/modules/multiqc/main.nf b/modules/nf-core/modules/multiqc/main.nf
index 1264aac..1e7d6af 100644
--- a/modules/nf-core/modules/multiqc/main.nf
+++ b/modules/nf-core/modules/multiqc/main.nf
@@ -1,13 +1,14 @@
 process MULTIQC {
     label 'process_medium'
 
-    conda (params.enable_conda ? 'bioconda::multiqc=1.12' : null)
+    conda (params.enable_conda ? 'bioconda::multiqc=1.13a' : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/multiqc:1.12--pyhdfd78af_0' :
-        'quay.io/biocontainers/multiqc:1.12--pyhdfd78af_0' }"
+        'https://depot.galaxyproject.org/singularity/multiqc:1.13a--pyhdfd78af_1' :
+        'quay.io/biocontainers/multiqc:1.13a--pyhdfd78af_1' }"
 
     input:
-    path multiqc_files
+    path  multiqc_files, stageAs: "?/*"
+    tuple path(multiqc_config), path(multiqc_logo)
 
     output:
     path "*multiqc_report.html", emit: report
@@ -20,8 +21,25 @@ process MULTIQC {
 
     script:
     def args = task.ext.args ?: ''
+    def config = multiqc_config ? "--config $multiqc_config" : ''
     """
-    multiqc -f $args .
+    multiqc \\
+        --force \\
+        $config \\
+        $args \\
+        .
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        multiqc: \$( multiqc --version | sed -e "s/multiqc, version //g" )
+    END_VERSIONS
+    """
+
+    stub:
+    """
+    touch multiqc_data
+    touch multiqc_plots
+    touch multiqc_report.html
 
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":
diff --git a/modules/nf-core/modules/multiqc/meta.yml b/modules/nf-core/modules/multiqc/meta.yml
index 6fa891e..bf3a27f 100644
--- a/modules/nf-core/modules/multiqc/meta.yml
+++ b/modules/nf-core/modules/multiqc/meta.yml
@@ -17,6 +17,14 @@ input:
       type: file
       description: |
         List of reports / files recognised by MultiQC, for example the html and zip output of FastQC
+  - multiqc_config:
+      type: file
+      description: Config yml for MultiQC
+      pattern: "*.{yml,yaml}"
+  - multiqc_logo:
+      type: file
+      description: Logo file for MultiQC
+      pattern: "*.{png}"
 output:
   - report:
       type: file
diff --git a/modules/nf-core/modules/samtools/view/main.nf b/modules/nf-core/modules/samtools/view/main.nf
index 55194e8..59ded5c 100644
--- a/modules/nf-core/modules/samtools/view/main.nf
+++ b/modules/nf-core/modules/samtools/view/main.nf
@@ -1,6 +1,6 @@
 process SAMTOOLS_VIEW {
     tag "$meta.id"
-    label 'process_medium'
+    label 'process_low'
 
     conda (params.enable_conda ? "bioconda::samtools=1.15.1" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
diff --git a/modules/nf-core/modules/untar/main.nf b/modules/nf-core/modules/untar/main.nf
index dc43fb7..4128652 100644
--- a/modules/nf-core/modules/untar/main.nf
+++ b/modules/nf-core/modules/untar/main.nf
@@ -1,11 +1,11 @@
 process UNTAR {
     tag "$archive"
-    label 'process_low'
+    label 'process_single'
 
-    conda (params.enable_conda ? "conda-forge::tar=1.32" : null)
+    conda (params.enable_conda ? "conda-forge::sed=4.7" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://containers.biocontainers.pro/s3/SingImgsRepo/biocontainers/v1.2.0_cv1/biocontainers_v1.2.0_cv1.img' :
-        'biocontainers/biocontainers:v1.2.0_cv1' }"
+        'https://depot.galaxyproject.org/singularity/ubuntu:20.04' :
+        'ubuntu:20.04' }"
 
     input:
     tuple val(meta), path(archive)
@@ -21,12 +21,29 @@ process UNTAR {
     def args  = task.ext.args ?: ''
     def args2 = task.ext.args2 ?: ''
     untar     = archive.toString() - '.tar.gz'
+
     """
+    mkdir output
+
     tar \\
+        -C output --strip-components 1 \\
         -xzvf \\
         $args \\
         $archive \\
-        $args2 \\
+        $args2
+
+    mv output ${untar}
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        untar: \$(echo \$(tar --version 2>&1) | sed 's/^.*(GNU tar) //; s/ Copyright.*\$//')
+    END_VERSIONS
+    """
+
+    stub:
+    untar     = archive.toString() - '.tar.gz'
+    """
+    touch $untar
 
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 17c96f1..ccda0d4 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -7,7 +7,7 @@ include { MEGAN_RMA2INFO as MEGAN_RMA2INFO_TSV  } from '../../modules/nf-core/mo
 include { KRAKEN2_KRAKEN2                       } from '../../modules/nf-core/modules/kraken2/kraken2/main'
 include { CENTRIFUGE_CENTRIFUGE                 } from '../../modules/nf-core/modules/centrifuge/centrifuge/main'
 include { CENTRIFUGE_KREPORT                    } from '../../modules/nf-core/modules/centrifuge/kreport/main'
-include { METAPHLAN3                            } from '../../modules/nf-core/modules/metaphlan3/main'
+include { METAPHLAN3                            } from '../../modules/nf-core/modules/metaphlan3/metaphlan3/main'
 include { KAIJU_KAIJU                           } from '../../modules/nf-core/modules/kaiju/kaiju/main'
 include { KAIJU_KAIJU2TABLE                     } from '../../modules/nf-core/modules/kaiju/kaiju2table/main'
 include { DIAMOND_BLASTX                        } from '../../modules/nf-core/modules/diamond/blastx/main'
diff --git a/subworkflows/local/shortread_hostremoval.nf b/subworkflows/local/shortread_hostremoval.nf
index 505f989..c5f15c7 100644
--- a/subworkflows/local/shortread_hostremoval.nf
+++ b/subworkflows/local/shortread_hostremoval.nf
@@ -22,7 +22,7 @@ workflow SHORTREAD_HOSTREMOVAL {
         ch_bowtie2_index = index.first()
     }
 
-    BOWTIE2_ALIGN ( reads, ch_bowtie2_index, true )
+    BOWTIE2_ALIGN ( reads, ch_bowtie2_index, true, false )
     ch_versions      = ch_versions.mix( BOWTIE2_ALIGN.out.versions.first() )
     ch_multiqc_files = ch_multiqc_files.mix( BOWTIE2_ALIGN.out.log )
 
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 2bd6c01..292d50f 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -269,7 +269,7 @@ workflow TAXPROFILER {
 
     // TODO create multiQC module for metaphlan
     MULTIQC (
-        ch_multiqc_files.collect()
+        ch_multiqc_files.collect(), [[], []]
     )
     multiqc_report = MULTIQC.out.report.toList()
     ch_versions    = ch_versions.mix(MULTIQC.out.versions)

From fc26948950266286f24d53e3e1c3f87bb51e4a95 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 8 Sep 2022 12:49:38 +0200
Subject: [PATCH 342/789] Fix MultiQC

---
 conf/test_nothing.config                 |  2 +-
 modules.json                             |  2 +-
 modules/nf-core/modules/multiqc/main.nf  |  3 ++-
 modules/nf-core/modules/multiqc/meta.yml |  7 +++++--
 workflows/taxprofiler.nf                 | 14 ++++++--------
 5 files changed, 15 insertions(+), 13 deletions(-)

diff --git a/conf/test_nothing.config b/conf/test_nothing.config
index 5cd89eb..c0ecece 100644
--- a/conf/test_nothing.config
+++ b/conf/test_nothing.config
@@ -12,7 +12,7 @@
 
 params {
     config_profile_name        = 'Test profile'
-    config_profile_description = 'Minimal test dataset without performing any preprocessing nor profiling to check pipeline function. Useful when you only wish to test a single profiler without having to 'opt-out' of all the others'
+    config_profile_description = "Minimal test dataset without performing any preprocessing nor profiling to check pipeline function. Useful when you only wish to test a single profiler without having to 'opt-out' of all the others"
 
     // Limit resources so that this can run on GitHub Actions
     max_cpus   = 2
diff --git a/modules.json b/modules.json
index ecac44a..5a62e0c 100644
--- a/modules.json
+++ b/modules.json
@@ -115,7 +115,7 @@
                 },
                 "multiqc": {
                     "branch": "master",
-                    "git_sha": "5138acca0985ca01c38a1c4fba917d83772b1106"
+                    "git_sha": "16eee433b87b303bda650131ac5a0b1ad725e166"
                 },
                 "porechop": {
                     "branch": "master",
diff --git a/modules/nf-core/modules/multiqc/main.nf b/modules/nf-core/modules/multiqc/main.nf
index 1e7d6af..c8e6ace 100644
--- a/modules/nf-core/modules/multiqc/main.nf
+++ b/modules/nf-core/modules/multiqc/main.nf
@@ -8,7 +8,8 @@ process MULTIQC {
 
     input:
     path  multiqc_files, stageAs: "?/*"
-    tuple path(multiqc_config), path(multiqc_logo)
+    path(multiqc_config)
+    path(multiqc_logo)
 
     output:
     path "*multiqc_report.html", emit: report
diff --git a/modules/nf-core/modules/multiqc/meta.yml b/modules/nf-core/modules/multiqc/meta.yml
index bf3a27f..a1029f3 100644
--- a/modules/nf-core/modules/multiqc/meta.yml
+++ b/modules/nf-core/modules/multiqc/meta.yml
@@ -12,6 +12,7 @@ tools:
       homepage: https://multiqc.info/
       documentation: https://multiqc.info/docs/
       licence: ["GPL-3.0-or-later"]
+
 input:
   - multiqc_files:
       type: file
@@ -19,12 +20,13 @@ input:
         List of reports / files recognised by MultiQC, for example the html and zip output of FastQC
   - multiqc_config:
       type: file
-      description: Config yml for MultiQC
+      description: Optional config yml for MultiQC
       pattern: "*.{yml,yaml}"
   - multiqc_logo:
       type: file
-      description: Logo file for MultiQC
+      description: Optional logo file for MultiQC
       pattern: "*.{png}"
+
 output:
   - report:
       type: file
@@ -46,3 +48,4 @@ authors:
   - "@abhi18av"
   - "@bunop"
   - "@drpatelh"
+  - "@jfy133"
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 292d50f..8c98595 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -42,8 +42,7 @@ if (params.run_malt && params.run_krona && !params.krona_taxonomy_directory) log
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 */
 
-ch_multiqc_config        = file("$projectDir/assets/multiqc_config.yml", checkIfExists: true)
-ch_multiqc_custom_config = params.multiqc_config ? Channel.fromPath(params.multiqc_config) : Channel.empty()
+ch_multiqc_config   = params.multiqc_config ? file( params.multiqc_config, checkIfExists: true ) : file("$projectDir/assets/multiqc_config.yml", checkIfExists: true)
 
 /*
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
@@ -93,7 +92,7 @@ def multiqc_report = []
 workflow TAXPROFILER {
 
     ch_versions = Channel.empty()
-    ch_taxprofiler_logo = Channel.fromPath("$projectDir/docs/images/nf-core-taxprofiler_logo_custom_light.png")
+    ch_multiqc_logo= Channel.fromPath("$projectDir/docs/images/nf-core-taxprofiler_logo_custom_light.png")
 
     /*
         SUBWORKFLOW: Read in samplesheet, validate and stage input files
@@ -241,14 +240,11 @@ workflow TAXPROFILER {
     ch_workflow_summary = Channel.value(workflow_summary)
 
     ch_multiqc_files = Channel.empty()
-    ch_multiqc_files = ch_multiqc_files.mix(Channel.from(ch_multiqc_config))
-    ch_multiqc_files = ch_multiqc_files.mix(ch_multiqc_custom_config.collect().ifEmpty([]))
+
     ch_multiqc_files = ch_multiqc_files.mix(ch_workflow_summary.collectFile(name: 'workflow_summary_mqc.yaml'))
     ch_multiqc_files = ch_multiqc_files.mix(CUSTOM_DUMPSOFTWAREVERSIONS.out.mqc_yml.collect())
     ch_multiqc_files = ch_multiqc_files.mix(FASTQC.out.zip.collect{it[1]}.ifEmpty([]))
 
-    ch_multiqc_files = ch_multiqc_files.mix(ch_taxprofiler_logo.ifEmpty([]))
-
     if (params.perform_shortread_qc) {
         ch_multiqc_files = ch_multiqc_files.mix( SHORTREAD_PREPROCESSING.out.mqc.collect{it[1]}.ifEmpty([]) )
     }
@@ -269,7 +265,9 @@ workflow TAXPROFILER {
 
     // TODO create multiQC module for metaphlan
     MULTIQC (
-        ch_multiqc_files.collect(), [[], []]
+        ch_multiqc_files.collect(),
+        ch_multiqc_config,
+        ch_multiqc_logo
     )
     multiqc_report = MULTIQC.out.report.toList()
     ch_versions    = ch_versions.mix(MULTIQC.out.versions)

From 60224e9149b0212aa63d8af0785b71b8c2935224 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 8 Sep 2022 14:25:23 +0200
Subject: [PATCH 343/789] Patch fastp until I have an OK on the module update

---
 modules.json                             |  3 ++-
 modules/nf-core/modules/fastp/fastp.diff | 33 ++++++++++++++++++++++++
 modules/nf-core/modules/fastp/main.nf    |  7 ++---
 3 files changed, 39 insertions(+), 4 deletions(-)
 create mode 100644 modules/nf-core/modules/fastp/fastp.diff

diff --git a/modules.json b/modules.json
index 5a62e0c..3b8cab2 100644
--- a/modules.json
+++ b/modules.json
@@ -43,7 +43,8 @@
                 },
                 "fastp": {
                     "branch": "master",
-                    "git_sha": "7e8ad566883449e7939062b5e2bcf53fc1e0002f"
+                    "git_sha": "7e8ad566883449e7939062b5e2bcf53fc1e0002f",
+                    "patch": "modules/nf-core/modules/fastp/fastp.diff"
                 },
                 "fastqc": {
                     "branch": "master",
diff --git a/modules/nf-core/modules/fastp/fastp.diff b/modules/nf-core/modules/fastp/fastp.diff
new file mode 100644
index 0000000..a05d486
--- /dev/null
+++ b/modules/nf-core/modules/fastp/fastp.diff
@@ -0,0 +1,33 @@
+Changes in module 'nf-core/modules/fastp'
+--- modules/nf-core/modules/fastp/main.nf
++++ modules/nf-core/modules/fastp/main.nf
+@@ -33,9 +33,8 @@
+         def fail_fastq = save_trimmed_fail ? "--failed_out ${prefix}.fail.fastq.gz" : ''
+         """
+         [ ! -f  ${prefix}.fastq.gz ] && ln -sf $reads ${prefix}.fastq.gz
+-        cat ${prefix}.fastq.gz \\
+-        | fastp \\
+-            --stdin \\
++        
++        fastp \\
+             --stdout \\
+             --in1 ${prefix}.fastq.gz \\
+             --thread $task.cpus \\
+@@ -45,6 +44,7 @@
+             $args \\
+             2> ${prefix}.fastp.log \\
+         | gzip -c > ${prefix}.fastp.fastq.gz
++
+         cat <<-END_VERSIONS > versions.yml
+         "${task.process}":
+             fastp: \$(fastp --version 2>&1 | sed -e "s/fastp //g")
+@@ -69,6 +69,7 @@
+             --detect_adapter_for_pe \\
+             $args \\
+             2> ${prefix}.fastp.log
++            
+ 
+         cat <<-END_VERSIONS > versions.yml
+         "${task.process}":
+
+************************************************************
diff --git a/modules/nf-core/modules/fastp/main.nf b/modules/nf-core/modules/fastp/main.nf
index d9134e1..abbdbad 100644
--- a/modules/nf-core/modules/fastp/main.nf
+++ b/modules/nf-core/modules/fastp/main.nf
@@ -33,9 +33,8 @@ process FASTP {
         def fail_fastq = save_trimmed_fail ? "--failed_out ${prefix}.fail.fastq.gz" : ''
         """
         [ ! -f  ${prefix}.fastq.gz ] && ln -sf $reads ${prefix}.fastq.gz
-        cat ${prefix}.fastq.gz \\
-        | fastp \\
-            --stdin \\
+        
+        fastp \\
             --stdout \\
             --in1 ${prefix}.fastq.gz \\
             --thread $task.cpus \\
@@ -45,6 +44,7 @@ process FASTP {
             $args \\
             2> ${prefix}.fastp.log \\
         | gzip -c > ${prefix}.fastp.fastq.gz
+
         cat <<-END_VERSIONS > versions.yml
         "${task.process}":
             fastp: \$(fastp --version 2>&1 | sed -e "s/fastp //g")
@@ -69,6 +69,7 @@ process FASTP {
             --detect_adapter_for_pe \\
             $args \\
             2> ${prefix}.fastp.log
+            
 
         cat <<-END_VERSIONS > versions.yml
         "${task.process}":

From f087136ec94d293710519c0a3205819a12d95453 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 9 Sep 2022 11:12:47 +0200
Subject: [PATCH 344/789] use proper working FASTP module

---
 modules.json                             |  2 +-
 modules/nf-core/modules/fastp/fastp.diff | 33 ------------------------
 modules/nf-core/modules/fastp/main.nf    | 30 ++++++++++++++++-----
 modules/nf-core/modules/fastp/meta.yml   |  3 ++-
 4 files changed, 27 insertions(+), 41 deletions(-)
 delete mode 100644 modules/nf-core/modules/fastp/fastp.diff

diff --git a/modules.json b/modules.json
index 3b8cab2..7e7ea07 100644
--- a/modules.json
+++ b/modules.json
@@ -43,7 +43,7 @@
                 },
                 "fastp": {
                     "branch": "master",
-                    "git_sha": "7e8ad566883449e7939062b5e2bcf53fc1e0002f",
+                    "git_sha": "2c70c1c1951aaf884d2e8d8d9c871db79f7b35aa",
                     "patch": "modules/nf-core/modules/fastp/fastp.diff"
                 },
                 "fastqc": {
diff --git a/modules/nf-core/modules/fastp/fastp.diff b/modules/nf-core/modules/fastp/fastp.diff
deleted file mode 100644
index a05d486..0000000
--- a/modules/nf-core/modules/fastp/fastp.diff
+++ /dev/null
@@ -1,33 +0,0 @@
-Changes in module 'nf-core/modules/fastp'
---- modules/nf-core/modules/fastp/main.nf
-+++ modules/nf-core/modules/fastp/main.nf
-@@ -33,9 +33,8 @@
-         def fail_fastq = save_trimmed_fail ? "--failed_out ${prefix}.fail.fastq.gz" : ''
-         """
-         [ ! -f  ${prefix}.fastq.gz ] && ln -sf $reads ${prefix}.fastq.gz
--        cat ${prefix}.fastq.gz \\
--        | fastp \\
--            --stdin \\
-+        
-+        fastp \\
-             --stdout \\
-             --in1 ${prefix}.fastq.gz \\
-             --thread $task.cpus \\
-@@ -45,6 +44,7 @@
-             $args \\
-             2> ${prefix}.fastp.log \\
-         | gzip -c > ${prefix}.fastp.fastq.gz
-+
-         cat <<-END_VERSIONS > versions.yml
-         "${task.process}":
-             fastp: \$(fastp --version 2>&1 | sed -e "s/fastp //g")
-@@ -69,6 +69,7 @@
-             --detect_adapter_for_pe \\
-             $args \\
-             2> ${prefix}.fastp.log
-+            
- 
-         cat <<-END_VERSIONS > versions.yml
-         "${task.process}":
-
-************************************************************
diff --git a/modules/nf-core/modules/fastp/main.nf b/modules/nf-core/modules/fastp/main.nf
index abbdbad..11ea4db 100644
--- a/modules/nf-core/modules/fastp/main.nf
+++ b/modules/nf-core/modules/fastp/main.nf
@@ -26,14 +26,14 @@ process FASTP {
 
     script:
     def args = task.ext.args ?: ''
-    // Added soft-links to original fastqs for consistent naming in MultiQC
     def prefix = task.ext.prefix ?: "${meta.id}"
+    def fail_fastq = save_trimmed_fail && meta.single_end ? "--failed_out ${prefix}.fail.fastq.gz" : save_trimmed_fail && !meta.single_end ? "--unpaired1 ${prefix}_1.fail.fastq.gz --unpaired2 ${prefix}_2.fail.fastq.gz" : ''
+    // Added soft-links to original fastqs for consistent naming in MultiQC
     // Use single ended for interleaved. Add --interleaved_in in config.
-    if (meta.single_end) {
-        def fail_fastq = save_trimmed_fail ? "--failed_out ${prefix}.fail.fastq.gz" : ''
+    if ( task.ext.args?.contains('--interleaved_in') ) {
         """
         [ ! -f  ${prefix}.fastq.gz ] && ln -sf $reads ${prefix}.fastq.gz
-        
+
         fastp \\
             --stdout \\
             --in1 ${prefix}.fastq.gz \\
@@ -45,13 +45,32 @@ process FASTP {
             2> ${prefix}.fastp.log \\
         | gzip -c > ${prefix}.fastp.fastq.gz
 
+        cat <<-END_VERSIONS > versions.yml
+        "${task.process}":
+            fastp: \$(fastp --version 2>&1 | sed -e "s/fastp //g")
+        END_VERSIONS
+        """
+    } else if (meta.single_end) {
+        """
+        [ ! -f  ${prefix}.fastq.gz ] && ln -sf $reads ${prefix}.fastq.gz
+
+        fastp \\
+            --stdout \\
+            --in1 ${prefix}.fastq.gz \\
+            --out1  ${prefix}.fastp.fastq.gz \\
+            --thread $task.cpus \\
+            --json ${prefix}.fastp.json \\
+            --html ${prefix}.fastp.html \\
+            $fail_fastq \\
+            $args \\
+            2> ${prefix}.fastp.log
+
         cat <<-END_VERSIONS > versions.yml
         "${task.process}":
             fastp: \$(fastp --version 2>&1 | sed -e "s/fastp //g")
         END_VERSIONS
         """
     } else {
-        def fail_fastq  = save_trimmed_fail ? "--unpaired1 ${prefix}_1.fail.fastq.gz --unpaired2 ${prefix}_2.fail.fastq.gz" : ''
         def merge_fastq = save_merged ? "-m --merged_out ${prefix}.merged.fastq.gz" : ''
         """
         [ ! -f  ${prefix}_1.fastq.gz ] && ln -sf ${reads[0]} ${prefix}_1.fastq.gz
@@ -69,7 +88,6 @@ process FASTP {
             --detect_adapter_for_pe \\
             $args \\
             2> ${prefix}.fastp.log
-            
 
         cat <<-END_VERSIONS > versions.yml
         "${task.process}":
diff --git a/modules/nf-core/modules/fastp/meta.yml b/modules/nf-core/modules/fastp/meta.yml
index 598c336..2368fde 100644
--- a/modules/nf-core/modules/fastp/meta.yml
+++ b/modules/nf-core/modules/fastp/meta.yml
@@ -21,7 +21,8 @@ input:
       type: file
       description: |
         List of input FastQ files of size 1 and 2 for single-end and paired-end data,
-        respectively.
+        respectively. If you wish to run interleaved paired-end data,  supply as single-end data
+        but with `--interleaved_in` in your `modules.conf`'s `ext.args` for the module.
   - save_trimmed_fail:
       type: boolean
       description: Specify true to save files that failed to pass trimming thresholds ending in `*.fail.fastq.gz`

From b28052f1eca545c98a578f43f593382d913b00e2 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Fri, 9 Sep 2022 11:15:25 +0200
Subject: [PATCH 345/789] Remove patch from modules.json

---
 modules.json | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/modules.json b/modules.json
index 7e7ea07..385149a 100644
--- a/modules.json
+++ b/modules.json
@@ -43,8 +43,7 @@
                 },
                 "fastp": {
                     "branch": "master",
-                    "git_sha": "2c70c1c1951aaf884d2e8d8d9c871db79f7b35aa",
-                    "patch": "modules/nf-core/modules/fastp/fastp.diff"
+                    "git_sha": "2c70c1c1951aaf884d2e8d8d9c871db79f7b35aa"
                 },
                 "fastqc": {
                     "branch": "master",

From a764bc4807fbd7771de6868977d522bd2b7faa5e Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 9 Sep 2022 13:57:06 +0200
Subject: [PATCH 346/789] Start works - need updated module though t have meta

---
 conf/modules.config                           | 11 +++++-
 modules.json                                  |  4 +++
 .../metaphlan3/mergemetaphlantables/main.nf   | 33 ++++++++++++++++++
 .../metaphlan3/mergemetaphlantables/meta.yml  | 34 +++++++++++++++++++
 .../local/standardisation_profiles.nf         | 21 ++++++++++--
 5 files changed, 100 insertions(+), 3 deletions(-)
 create mode 100644 modules/nf-core/modules/metaphlan3/mergemetaphlantables/main.nf
 create mode 100644 modules/nf-core/modules/metaphlan3/mergemetaphlantables/meta.yml

diff --git a/conf/modules.config b/conf/modules.config
index e367a67..d4bd038 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -327,7 +327,7 @@ process {
         ]
     }
 
-    withName: METAPHLAN3 {
+    withName: METAPHLAN3_METAPHLAN3 {
         ext.args = { "${meta.db_params}" }
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
@@ -337,6 +337,15 @@ process {
         ]
     }
 
+    withName: METAPHLAN3_MERGEMETAPHLANTABLES {
+        ext.prefix = { "${meta.id}_combined_reports" }
+        publishDir = [
+            path: { "${params.outdir}/metaphlan3/" },
+            mode: params.publish_dir_mode,
+            pattern: '*.{txt}'
+        ]
+    }
+
     withName: CENTRIFUGE_CENTRIFUGE {
         publishDir = [
             path: { "${params.outdir}/centrifuge/${meta.db_name}/" },
diff --git a/modules.json b/modules.json
index 3b8cab2..cbbae85 100644
--- a/modules.json
+++ b/modules.json
@@ -94,6 +94,10 @@
                     "branch": "master",
                     "git_sha": "2d38566eca4cc15142b2ffa7c11837569b39aece"
                 },
+                "metaphlan3/mergemetaphlantables": {
+                    "branch": "master",
+                    "git_sha": "940d7fe9d63962e0e2ba0987e2893fb0aff832e3"
+                },
                 "metaphlan3/metaphlan3": {
                     "branch": "master",
                     "git_sha": "940d7fe9d63962e0e2ba0987e2893fb0aff832e3"
diff --git a/modules/nf-core/modules/metaphlan3/mergemetaphlantables/main.nf b/modules/nf-core/modules/metaphlan3/mergemetaphlantables/main.nf
new file mode 100644
index 0000000..6fd05e3
--- /dev/null
+++ b/modules/nf-core/modules/metaphlan3/mergemetaphlantables/main.nf
@@ -0,0 +1,33 @@
+process METAPHLAN3_MERGEMETAPHLANTABLES {
+    label 'process_single'
+
+    conda (params.enable_conda ? 'bioconda::metaphlan=3.0.12' : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/metaphlan:3.0.12--pyhb7b1952_0' :
+        'quay.io/biocontainers/metaphlan:3.0.12--pyhb7b1952_0' }"
+
+    input:
+    path(profiles)
+
+    output:
+    tuple path("${prefix}.txt") , emit: txt
+    path "versions.yml" , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    prefix = task.ext.prefix ?: "merged_abundance_table"
+    """
+    merge_metaphlan_tables.py \\
+        $args \\
+        -o ${prefix}.txt \\
+        ${profiles}
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        metaphlan3: \$(metaphlan --version 2>&1 | awk '{print \$3}')
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/modules/metaphlan3/mergemetaphlantables/meta.yml b/modules/nf-core/modules/metaphlan3/mergemetaphlantables/meta.yml
new file mode 100644
index 0000000..c94be25
--- /dev/null
+++ b/modules/nf-core/modules/metaphlan3/mergemetaphlantables/meta.yml
@@ -0,0 +1,34 @@
+name: "metaphlan3_mergemetaphlantables"
+description: Merges output abundance tables from MetaPhlAn3
+keywords:
+  - metagenomics
+  - classification
+  - merge
+  - table
+  - profiles
+tools:
+  - metaphlan3:
+      description: Identify clades (phyla to species) present in the metagenome obtained from a microbiome sample and their relative abundance
+      homepage: https://huttenhower.sph.harvard.edu/metaphlan/
+      documentation: https://github.com/biobakery/MetaPhlAn
+      doi: "10.7554/eLife.65088"
+      licence: ["MIT License"]
+
+input:
+  - profiles:
+      type: file
+      description: List of per-sample MetaPhlAn3 taxonomic abundance tables
+      pattern: "*"
+
+output:
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+  - txt:
+      type: txt
+      description: Combined MetaPhlAn3 table
+      pattern: "*.txt"
+
+authors:
+  - "@jfy133"
diff --git a/subworkflows/local/standardisation_profiles.nf b/subworkflows/local/standardisation_profiles.nf
index 8be6020..6d404be 100644
--- a/subworkflows/local/standardisation_profiles.nf
+++ b/subworkflows/local/standardisation_profiles.nf
@@ -2,8 +2,9 @@
 // Standardise output files e.g. aggregation
 //
 
-include { KAIJU_KAIJU2TABLE                     } from '../../modules/nf-core/modules/kaiju/kaiju2table/main'
-include { MOTUS_MERGE } from '../../modules/nf-core/modules/motus/merge/main'
+include { KAIJU_KAIJU2TABLE               } from '../../modules/nf-core/modules/kaiju/kaiju2table/main'
+include { MOTUS_MERGE                     } from '../../modules/nf-core/modules/motus/merge/main'
+include { METAPHLAN3_MERGEMETAPHLANTABLES } from '../../modules/nf-core/modules/metaphlan3/mergemetaphlantables/main'
 
 workflow STANDARDISATION_PROFILES {
     take:
@@ -23,6 +24,7 @@ workflow STANDARDISATION_PROFILES {
     ch_input_profiles = profiles
         .branch {
             motus: it[0]['tool'] == 'motus'
+            metaphlan3: it[0]['tool'] == 'metaphlan3'
             unknown: true
         }
 
@@ -58,6 +60,21 @@ workflow STANDARDISATION_PROFILES {
     ch_multiqc_files = ch_multiqc_files.mix( KAIJU_KAIJU2TABLE.out.summary )
     ch_versions = ch_versions.mix( KAIJU_KAIJU2TABLE.out.versions )
 
+    // MetaPhlAn3
+    ch_profiles_for_metaphlan3 = ch_input_profiles.metaphlan3
+                            .map { [it[0]['db_name'], it[1]] }
+                            .groupTuple()
+                            .map {
+                                [it[1]]
+                            }
+
+    METAPHLAN3_MERGEMETAPHLANTABLES ( ch_profiles_for_metaphlan3 )
+    ch_standardised_tables = ch_standardised_tables.mix( METAPHLAN3_MERGEMETAPHLANTABLES.out.txt )
+    ch_multiqc_files = ch_multiqc_files.mix( METAPHLAN3_MERGEMETAPHLANTABLES.out.txt )
+    ch_versions = ch_versions.mix( METAPHLAN3_MERGEMETAPHLANTABLES.out.versions )
+
+    // mOTUs
+
     // mOTUs has a 'single' database, and cannot create custom ones.
     // Therefore removing db info here, and publish merged at root mOTUs results
     // directory

From c8dbf5be47b388d9b711859c820d2c9fd1c5f6ef Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 13 Sep 2022 15:47:28 +0200
Subject: [PATCH 347/789] Adds KRAKEN_COMBINEKREPORTS for 'native' multi-sample
 OTU

---
 conf/modules.config                           |  9 ++++
 modules.json                                  |  4 ++
 .../krakentools/combinekreports/main.nf       | 34 +++++++++++++++
 .../krakentools/combinekreports/meta.yml      | 43 +++++++++++++++++++
 .../local/standardisation_profiles.nf         | 19 +++++++-
 5 files changed, 108 insertions(+), 1 deletion(-)
 create mode 100644 modules/nf-core/modules/krakentools/combinekreports/main.nf
 create mode 100644 modules/nf-core/modules/krakentools/combinekreports/meta.yml

diff --git a/conf/modules.config b/conf/modules.config
index e367a67..f31eff5 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -294,6 +294,15 @@ process {
         ]
     }
 
+    withName: KRAKENTOOLS_COMBINEKREPORTS {
+        ext.prefix = { "${meta.id}_combined_reports" }
+        publishDir = [
+            path: { "${params.outdir}/kraken2/" },
+            mode: params.publish_dir_mode,
+            pattern: '*.{txt}'
+        ]
+    }
+
     withName: KRONA_CLEANUP {
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
diff --git a/modules.json b/modules.json
index 385149a..aa358fc 100644
--- a/modules.json
+++ b/modules.json
@@ -73,6 +73,10 @@
                     "branch": "master",
                     "git_sha": "409a308ba46284d8ebb48c2c1befd6f6433db3f7"
                 },
+                "krakentools/combinekreports": {
+                    "branch": "master",
+                    "git_sha": "ee0346b4d14ffdc15ce7e093ca1363cd07c9bd78"
+                },
                 "krakentools/kreport2krona": {
                     "branch": "master",
                     "git_sha": "233fa70811a03a4cecb2ece483b5c8396e2cee1d"
diff --git a/modules/nf-core/modules/krakentools/combinekreports/main.nf b/modules/nf-core/modules/krakentools/combinekreports/main.nf
new file mode 100644
index 0000000..849f39c
--- /dev/null
+++ b/modules/nf-core/modules/krakentools/combinekreports/main.nf
@@ -0,0 +1,34 @@
+process KRAKENTOOLS_COMBINEKREPORTS {
+    label 'process_low'
+
+    conda (params.enable_conda ? "bioconda::krakentools=1.2" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/krakentools:1.2--pyh5e36f6f_0':
+        'quay.io/biocontainers/krakentools:1.2--pyh5e36f6f_0' }"
+
+    input:
+    tuple val(meta), path(kreports)
+
+    output:
+    tuple val(meta), path("*.txt"), emit: txt
+    path "versions.yml", emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    prefix = task.ext.prefix ?: "${meta.id}"
+    def VERSION = '1.2' // WARN: Version information not provided by tool on CLI. Please update this string when bumping container versions.
+    """
+    combine_kreports.py \\
+        -r ${kreports} \\
+        -o ${prefix}.txt \\
+        ${args}
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        combine_kreports.py: ${VERSION}
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/modules/krakentools/combinekreports/meta.yml b/modules/nf-core/modules/krakentools/combinekreports/meta.yml
new file mode 100644
index 0000000..213fc8c
--- /dev/null
+++ b/modules/nf-core/modules/krakentools/combinekreports/meta.yml
@@ -0,0 +1,43 @@
+name: krakentools_combinekreports
+description: Takes a Kraken report file and prints out a krona-compatible TEXT file
+keywords:
+  - kraken
+  - krakentools
+  - metagenomics
+  - table
+  - combining
+  - merging
+tools:
+  - krakentools:
+      description: KrakenTools is a suite of scripts to be used for post-analysis of Kraken/KrakenUniq/Kraken2/Bracken results. Please cite the relevant paper if using KrakenTools with any of the listed programs.
+      homepage: https://github.com/jenniferlu717/KrakenTools
+      licence: ["GPL v3"]
+
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - kreports:
+      type: file
+      description: List of kraken-style report files
+      pattern: "*.{txt,kreport}"
+
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+  - txt:
+      type: file
+      description: Combined kreport file of all input files
+      pattern: "*.txt"
+
+authors:
+  - "@jfy133"
diff --git a/subworkflows/local/standardisation_profiles.nf b/subworkflows/local/standardisation_profiles.nf
index 8be6020..14fb718 100644
--- a/subworkflows/local/standardisation_profiles.nf
+++ b/subworkflows/local/standardisation_profiles.nf
@@ -3,7 +3,8 @@
 //
 
 include { KAIJU_KAIJU2TABLE                     } from '../../modules/nf-core/modules/kaiju/kaiju2table/main'
-include { MOTUS_MERGE } from '../../modules/nf-core/modules/motus/merge/main'
+include { KRAKENTOOLS_COMBINEKREPORTS           } from '../../modules/nf-core/modules/krakentools/combinekreports/main'
+include { MOTUS_MERGE                           } from '../../modules/nf-core/modules/motus/merge/main'
 
 workflow STANDARDISATION_PROFILES {
     take:
@@ -23,6 +24,7 @@ workflow STANDARDISATION_PROFILES {
     ch_input_profiles = profiles
         .branch {
             motus: it[0]['tool'] == 'motus'
+            kraken2: it[0]['tool'] == 'kraken2'
             unknown: true
         }
 
@@ -58,6 +60,21 @@ workflow STANDARDISATION_PROFILES {
     ch_multiqc_files = ch_multiqc_files.mix( KAIJU_KAIJU2TABLE.out.summary )
     ch_versions = ch_versions.mix( KAIJU_KAIJU2TABLE.out.versions )
 
+    // Kraken2
+
+    // Collect and replace id for db_name for prefix
+    ch_profiles_for_kraken2 = ch_input_profiles.kraken2
+                                .map { [it[0]['db_name'], it[1]] }
+                                .groupTuple(sort: {-it.size()} )
+                                .map {
+                                    [[id:it[0]], it[1]]
+                                }
+
+    KRAKENTOOLS_COMBINEKREPORTS ( ch_profiles_for_kraken2 )
+    ch_standardised_tables = ch_standardised_tables.mix( KRAKENTOOLS_COMBINEKREPORTS.out.txt )
+    ch_multiqc_files = ch_multiqc_files.mix( KRAKENTOOLS_COMBINEKREPORTS.out.txt )
+    ch_versions = ch_versions.mix( KRAKENTOOLS_COMBINEKREPORTS.out.versions )
+
     // mOTUs has a 'single' database, and cannot create custom ones.
     // Therefore removing db info here, and publish merged at root mOTUs results
     // directory

From c6645082409f633368a18eaa2a7159971b8b104c Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Tue, 13 Sep 2022 15:56:06 +0200
Subject: [PATCH 348/789] Update usage.md

---
 docs/usage.md | 6 ++++++
 1 file changed, 6 insertions(+)

diff --git a/docs/usage.md b/docs/usage.md
index 3971c58..3ab6237 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -410,3 +410,9 @@ We recommend adding the following line to your environment to limit this (typica
 ```bash
 NXF_OPTS='-Xms1g -Xmx4g'
 ```
+
+## Troubleshooting and FAQs
+
+### I get a warning during centrifuge_kreport process when running taxprofiler on a minimal dataset.
+
+When a sample has no hits, `centrifuge` classifier exits with exit code `255`. The pipeline does not fail and this is provided as a `WARN`.

From 05e9d92444d4689c172d2df3176bf180482fa5aa Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 13 Sep 2022 16:47:19 +0200
Subject: [PATCH 349/789] Add centrigue kreports

---
 conf/modules.config                           | 13 +++++++--
 .../local/standardisation_profiles.nf         | 27 ++++++++++++++++---
 2 files changed, 35 insertions(+), 5 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index f31eff5..2dd163f 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -295,7 +295,7 @@ process {
     }
 
     withName: KRAKENTOOLS_COMBINEKREPORTS {
-        ext.prefix = { "${meta.id}_combined_reports" }
+        ext.prefix = { "kraken2_${meta.id}_combined_reports" }
         publishDir = [
             path: { "${params.outdir}/kraken2/" },
             mode: params.publish_dir_mode,
@@ -367,6 +367,15 @@ process {
         ]
     }
 
+    withName: KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE {
+        ext.prefix = { "centrifuge_${meta.id}_combined_reports" }
+        publishDir = [
+            path: { "${params.outdir}/centrifuge/" },
+            mode: params.publish_dir_mode,
+            pattern: '*.{txt}'
+        ]
+    }
+
     withName: KAIJU_KAIJU {
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
@@ -378,7 +387,7 @@ process {
     }
 
     withName: KAIJU_KAIJU2TABLE {
-        ext.prefix = { "${meta.id}_combined_reports" }
+        ext.prefix = { "kaiju_${meta.id}_combined_reports" }
         publishDir = [
             path: { "${params.outdir}/kaiju/" },
             mode: params.publish_dir_mode,
diff --git a/subworkflows/local/standardisation_profiles.nf b/subworkflows/local/standardisation_profiles.nf
index 14fb718..269a22c 100644
--- a/subworkflows/local/standardisation_profiles.nf
+++ b/subworkflows/local/standardisation_profiles.nf
@@ -2,9 +2,10 @@
 // Standardise output files e.g. aggregation
 //
 
-include { KAIJU_KAIJU2TABLE                     } from '../../modules/nf-core/modules/kaiju/kaiju2table/main'
-include { KRAKENTOOLS_COMBINEKREPORTS           } from '../../modules/nf-core/modules/krakentools/combinekreports/main'
-include { MOTUS_MERGE                           } from '../../modules/nf-core/modules/motus/merge/main'
+include { KRAKENTOOLS_COMBINEKREPORTS as KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE } from '../../modules/nf-core/modules/krakentools/combinekreports/main'
+include { KAIJU_KAIJU2TABLE                                                     } from '../../modules/nf-core/modules/kaiju/kaiju2table/main'
+include { KRAKENTOOLS_COMBINEKREPORTS                                           } from '../../modules/nf-core/modules/krakentools/combinekreports/main'
+include { MOTUS_MERGE                                                           } from '../../modules/nf-core/modules/motus/merge/main'
 
 workflow STANDARDISATION_PROFILES {
     take:
@@ -25,6 +26,7 @@ workflow STANDARDISATION_PROFILES {
         .branch {
             motus: it[0]['tool'] == 'motus'
             kraken2: it[0]['tool'] == 'kraken2'
+            centrifuge: it[0]['tool'] == 'centrifuge'
             unknown: true
         }
 
@@ -45,6 +47,23 @@ workflow STANDARDISATION_PROFILES {
         Standardise and aggregate
     */
 
+        // CENTRIFUGE
+
+    // Collect and replace id for db_name for prefix
+    // Have to sort by size to ensure first file actually has hits otherwise
+    // the script fails
+    ch_profiles_for_centrifuge = ch_input_profiles.centrifuge
+                                .map { [it[0]['db_name'], it[1]] }
+                                .groupTuple(sort: {-it.size()} )
+                                .map {
+                                    [[id:it[0]], it[1]]
+                                }
+
+    KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE ( ch_profiles_for_centrifuge )
+    ch_standardised_tables = ch_standardised_tables.mix( KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE.out.txt )
+    ch_multiqc_files = ch_multiqc_files.mix( KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE.out.txt )
+    ch_versions = ch_versions.mix( KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE.out.versions )
+
     // Kaiju
 
     // Collect and replace id for db_name for prefix
@@ -63,6 +82,8 @@ workflow STANDARDISATION_PROFILES {
     // Kraken2
 
     // Collect and replace id for db_name for prefix
+    // Have to sort by size to ensure first file actually has hits otherwise
+    // the script fails
     ch_profiles_for_kraken2 = ch_input_profiles.kraken2
                                 .map { [it[0]['db_name'], it[1]] }
                                 .groupTuple(sort: {-it.size()} )

From 0072c29a6f963be7396a9b5fee7edec67bfb83f0 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Tue, 13 Sep 2022 18:12:14 +0200
Subject: [PATCH 350/789] Update docs/usage.md

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 docs/usage.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/usage.md b/docs/usage.md
index 3ab6237..ead0ea2 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -413,6 +413,6 @@ NXF_OPTS='-Xms1g -Xmx4g'
 
 ## Troubleshooting and FAQs
 
-### I get a warning during centrifuge_kreport process when running taxprofiler on a minimal dataset.
+### I get a warning during centrifuge_kreport process with exit status 255.
 
 When a sample has no hits, `centrifuge` classifier exits with exit code `255`. The pipeline does not fail and this is provided as a `WARN`.

From ded6d7ab1f5b595b10cdaf6c5d68b00a30500e18 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Tue, 13 Sep 2022 18:13:00 +0200
Subject: [PATCH 351/789] Update docs/usage.md

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 docs/usage.md | 6 +++++-
 1 file changed, 5 insertions(+), 1 deletion(-)

diff --git a/docs/usage.md b/docs/usage.md
index ead0ea2..8ae5257 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -415,4 +415,8 @@ NXF_OPTS='-Xms1g -Xmx4g'
 
 ### I get a warning during centrifuge_kreport process with exit status 255.
 
-When a sample has no hits, `centrifuge` classifier exits with exit code `255`. The pipeline does not fail and this is provided as a `WARN`.
+When a sample has insufficient hits for abundance estimation, the resulting `report.txt` file will be empty.
+
+When trying to convert this to a kraken-style report, the conversion tool will exit with a status code `255`, and provide a `WARN`.
+
+This is **not** an error nor a failure of the pipeline, just your sample has no hits to the provided database when using centrifuge.

From abbbf9c7ab7eb6ead310bbe9a47706b933c00ac2 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 14 Sep 2022 11:16:28 +0200
Subject: [PATCH 352/789] Update to use tar module compatible for our test
 databases

---
 modules.json                           |  6 +++---
 modules/nf-core/modules/untar/main.nf  | 23 +++++++++++++++++------
 modules/nf-core/modules/untar/meta.yml |  8 +++++---
 3 files changed, 25 insertions(+), 12 deletions(-)

diff --git a/modules.json b/modules.json
index aa358fc..c503b74 100644
--- a/modules.json
+++ b/modules.json
@@ -107,7 +107,7 @@
                 },
                 "minimap2/index": {
                     "branch": "master",
-                    "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
+                    "git_sha": "73e062cf5e0ef346f65d73009b1b656299359fc5"
                 },
                 "motus/merge": {
                     "branch": "master",
@@ -119,7 +119,7 @@
                 },
                 "multiqc": {
                     "branch": "master",
-                    "git_sha": "16eee433b87b303bda650131ac5a0b1ad725e166"
+                    "git_sha": "5587389874dac9c9953a2ab6f01d49af81969492"
                 },
                 "porechop": {
                     "branch": "master",
@@ -139,7 +139,7 @@
                 },
                 "untar": {
                     "branch": "master",
-                    "git_sha": "5e7b1ef9a5a2d9258635bcbf70fcf37dacd1b247"
+                    "git_sha": "393dbd6ddafe3f18eac02893dd4a21e4d45de679"
                 }
             }
         }
diff --git a/modules/nf-core/modules/untar/main.nf b/modules/nf-core/modules/untar/main.nf
index 4128652..007871b 100644
--- a/modules/nf-core/modules/untar/main.nf
+++ b/modules/nf-core/modules/untar/main.nf
@@ -25,12 +25,23 @@ process UNTAR {
     """
     mkdir output
 
-    tar \\
-        -C output --strip-components 1 \\
-        -xzvf \\
-        $args \\
-        $archive \\
-        $args2
+    ## Ensures --strip-components only applied when top level of tar contents is a directory
+    ## If just files or multiple directories, place all in output
+    if [[ \$(tar -tzf ${archive} | grep "/\$" | wc -l) -eq 1 ]]; then
+        tar \\
+            -C output --strip-components 1 \\
+            -xzvf \\
+            $args \\
+            $archive \\
+            $args2
+    else
+        tar \\
+            -C output \\
+            -xzvf \\
+            $args \\
+            $archive \\
+            $args2
+    fi
 
     mv output ${untar}
 
diff --git a/modules/nf-core/modules/untar/meta.yml b/modules/nf-core/modules/untar/meta.yml
index d426919..ea7a3f3 100644
--- a/modules/nf-core/modules/untar/meta.yml
+++ b/modules/nf-core/modules/untar/meta.yml
@@ -26,9 +26,9 @@ output:
         Groovy Map containing sample information
         e.g. [ id:'test', single_end:false ]
   - untar:
-      type: file
-      description:
-      pattern: "*.*"
+      type: directory
+      description: Directory containing contents of archive
+      pattern: "*/"
   - versions:
       type: file
       description: File containing software versions
@@ -36,3 +36,5 @@ output:
 authors:
   - "@joseespinosa"
   - "@drpatelh"
+  - "@matthdsm"
+  - "@jfy133"

From 5414ae2e554c834269573ea7c792fd4f5147ee3f Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Wed, 14 Sep 2022 11:20:40 +0200
Subject: [PATCH 353/789] Apply suggestions from code review

---
 modules.json | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/modules.json b/modules.json
index c503b74..242e8e8 100644
--- a/modules.json
+++ b/modules.json
@@ -107,7 +107,7 @@
                 },
                 "minimap2/index": {
                     "branch": "master",
-                    "git_sha": "73e062cf5e0ef346f65d73009b1b656299359fc5"
+                    "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
                 },
                 "motus/merge": {
                     "branch": "master",
@@ -119,7 +119,7 @@
                 },
                 "multiqc": {
                     "branch": "master",
-                    "git_sha": "5587389874dac9c9953a2ab6f01d49af81969492"
+                    "git_sha": "16eee433b87b303bda650131ac5a0b1ad725e166"
                 },
                 "porechop": {
                     "branch": "master",

From 5f3eee9a4a2115c5b7e55fdddedad39c540d2cfb Mon Sep 17 00:00:00 2001
From: Rafal Stepien <rstepien095@gmail.com>
Date: Tue, 16 Aug 2022 15:46:22 -0400
Subject: [PATCH 354/789] Add working version of PEP-nf-core integration

---
 README.md                                     |   6 +-
 assets/samplesheet_schema.yaml                |  55 ++++
 bin/check_samplesheet.py                      | 236 ------------------
 bin/detect_reads.py                           | 125 ++++++++++
 conf/test.config                              |   6 +
 conf/test_pep.config                          |  50 ++++
 docs/usage.md                                 |   3 +
 lib/WorkflowMain.groovy                       |   2 +-
 modules.json                                  |   8 +
 modules/local/samplesheet_check.nf            |   6 +-
 modules/nf-core/modules/eido/convert/main.nf  |  37 +++
 modules/nf-core/modules/eido/convert/meta.yml |  36 +++
 modules/nf-core/modules/eido/validate/main.nf |  32 +++
 .../nf-core/modules/eido/validate/meta.yml    |  38 +++
 nextflow.config                               |   2 +
 nextflow_schema.json                          |   7 +-
 subworkflows/local/input_check.nf             |   9 +-
 workflows/taxprofiler.nf                      |  23 +-
 18 files changed, 434 insertions(+), 247 deletions(-)
 create mode 100644 assets/samplesheet_schema.yaml
 delete mode 100755 bin/check_samplesheet.py
 create mode 100644 bin/detect_reads.py
 create mode 100644 conf/test_pep.config
 create mode 100644 modules/nf-core/modules/eido/convert/main.nf
 create mode 100644 modules/nf-core/modules/eido/convert/meta.yml
 create mode 100644 modules/nf-core/modules/eido/validate/main.nf
 create mode 100644 modules/nf-core/modules/eido/validate/meta.yml

diff --git a/README.md b/README.md
index 672c2a9..5f4c886 100644
--- a/README.md
+++ b/README.md
@@ -67,7 +67,11 @@ On release, automated continuous integration tests run the pipeline on a full-si
    > - If you are using `singularity`, please use the [`nf-core download`](https://nf-co.re/tools/#downloading-pipelines-for-offline-use) command to download images first, before running the pipeline. Setting the [`NXF_SINGULARITY_CACHEDIR` or `singularity.cacheDir`](https://www.nextflow.io/docs/latest/singularity.html?#singularity-docker-hub) Nextflow options enables you to store and re-use the images from a central location for future pipeline runs.
    > - If you are using `conda`, it is highly recommended to use the [`NXF_CONDA_CACHEDIR` or `conda.cacheDir`](https://www.nextflow.io/docs/latest/conda.html) settings to store the environments in a central location for future pipeline runs.
 
-4. Start running your own analysis!
+4. You can also run the pipeline using PEP format as an input by running following command:
+   ```console
+   nextflow run main.nf -profile test_pep,docker --outdir <OUTDIR>
+   ```
+5. Start running your own analysis!
 
    ```console
    nextflow run nf-core/taxprofiler --input samplesheet.csv --databases database.csv --outdir <OUTDIR> --run_<TOOL1> --run_<TOOL1> -profile <docker/singularity/podman/shifter/charliecloud/conda/institute>
diff --git a/assets/samplesheet_schema.yaml b/assets/samplesheet_schema.yaml
new file mode 100644
index 0000000..3b1e978
--- /dev/null
+++ b/assets/samplesheet_schema.yaml
@@ -0,0 +1,55 @@
+description: A schema for validation of samplesheet.csv for taxprofiler pipeline.
+imports:
+  - https://schema.databio.org/pep/2.1.0.yaml
+properties:
+  samples:
+    type: array
+    items:
+      type: object
+      properties:
+        sample:
+          type: string
+          description: "Sample identifier."
+          pattern: "^\\S*$"
+        run_accession:
+          type: string
+          description: "Run accession number."
+        instrument_platform:
+          type: string
+          description: "Name of the platform that sequenced the samples."
+          enum:
+            [
+              "ABI_SOLID",
+              "BGISEQ",
+              "CAPILLARY",
+              "COMPLETE_GENOMICS",
+              "DNBSEQ",
+              "HELICOS",
+              "ILLUMINA",
+              "ION_TORRENT",
+              "LS454",
+              "OXFORD_NANOPORE",
+              "PACBIO_SMRT",
+            ]
+        fastq1:
+          type: ["string", "null"]
+          description: "FASTQ file for read 1."
+          pattern: "^[\\S]+.(fq\\.gz|fastq\\.gz)$"
+        fastq2:
+          type: ["string", "null"]
+          description: "FASTQ file for read 2."
+          pattern: "^[\\S]+.(fq\\.gz|fastq\\.gz)$"
+        fasta:
+          type: ["string", "null"]
+          description: "Path to FASTA file."
+          pattern: "^[\\S]+.(fa\\.gz|fasta\\.gz)$"
+      required:
+        - sample
+        - run_accession
+        - instrument_platform
+      files:
+        - fastq1
+        - fastq2
+        - fasta
+required:
+  - samples
diff --git a/bin/check_samplesheet.py b/bin/check_samplesheet.py
deleted file mode 100755
index ca54ed9..0000000
--- a/bin/check_samplesheet.py
+++ /dev/null
@@ -1,236 +0,0 @@
-#!/usr/bin/env python
-
-from distutils import extension
-import os
-import sys
-import errno
-import argparse
-
-
-def parse_args(args=None):
-    Description = "Reformat nf-core/taxprofiler samplesheet file and check its contents."
-
-    Epilog = "Example usage: python check_samplesheet.py <FILE_IN> <FILE_OUT>"
-
-    parser = argparse.ArgumentParser(description=Description, epilog=Epilog)
-    parser.add_argument("FILE_IN", help="Input samplesheet file.")
-    parser.add_argument("FILE_OUT", help="Output file.")
-    return parser.parse_args(args)
-
-
-def make_dir(path):
-    if len(path) > 0:
-        try:
-            os.makedirs(path)
-        except OSError as exception:
-            if exception.errno != errno.EEXIST:
-                raise exception
-
-
-def print_error(error, context="Line", context_str=""):
-    error_str = "ERROR: Please check samplesheet -> {}".format(error)
-    if context != "" and context_str != "":
-        error_str = "ERROR: Please check samplesheet -> {}\n{}: '{}'".format(
-            error, context.strip(), context_str.strip()
-        )
-    print(error_str)
-    sys.exit(1)
-
-
-def check_samplesheet(file_in, file_out):
-    """
-    This function checks that the samplesheet follows the following structure:
-
-    sample,run_accession,instrument_platform,fastq_1,fastq_2,fasta
-    2611,ERR5766174,ILLUMINA,,,ERX5474930_ERR5766174_1.fa.gz
-    2612,ERR5766176,ILLUMINA,ERX5474932_ERR5766176_1.fastq.gz,ERX5474932_ERR5766176_2.fastq.gz,
-    2612,ERR5766174,ILLUMINA,ERX5474936_ERR5766180_1.fastq.gz,,
-    2613,ERR5766181,ILLUMINA,ERX5474937_ERR5766181_1.fastq.gz,ERX5474937_ERR5766181_2.fastq.gz,
-    """
-
-    FQ_EXTENSIONS = (".fq.gz", ".fastq.gz")
-    FA_EXTENSIONS = (
-        ".fa",
-        ".fa.gz",
-        ".fasta",
-        ".fasta.gz",
-        ".fna",
-        ".fna.gz",
-        ".fas",
-        ".fas.gz",
-    )
-    INSTRUMENT_PLATFORMS = [
-        "ABI_SOLID",
-        "BGISEQ",
-        "CAPILLARY",
-        "COMPLETE_GENOMICS",
-        "DNBSEQ",
-        "HELICOS",
-        "ILLUMINA",
-        "ION_TORRENT",
-        "LS454",
-        "OXFORD_NANOPORE",
-        "PACBIO_SMRT",
-    ]
-
-    sample_mapping_dict = {}
-    with open(file_in, "r") as fin:
-
-        ## Check header
-        MIN_COLS = 4
-        HEADER = [
-            "sample",
-            "run_accession",
-            "instrument_platform",
-            "fastq_1",
-            "fastq_2",
-            "fasta",
-        ]
-        header = [x.strip('"') for x in fin.readline().strip().split(",")]
-
-        ## Check for missing mandatory columns
-        missing_columns = list(set(HEADER) - set(header))
-        if len(missing_columns) > 0:
-            print(
-                "ERROR: Missing required column header -> {}. Note some columns can otherwise be empty. See pipeline documentation (https://nf-co.re/taxprofiler/usage).".format(
-                    ",".join(missing_columns)
-                )
-            )
-            sys.exit(1)
-
-        ## Find locations of mandatory columns
-        header_locs = {}
-        for i in HEADER:
-            header_locs[i] = header.index(i)
-
-        ## Check sample entries
-        for line in fin:
-
-            ## Pull out only relevant columns for downstream checking
-            line_parsed = [x.strip().strip('"') for x in line.strip().split(",")]
-            lspl = [line_parsed[i] for i in header_locs.values()]
-
-            # Check valid number of columns per row
-            if len(lspl) < len(HEADER):
-                print_error(
-                    "Invalid number of columns (minimum = {})!".format(len(HEADER)),
-                    "Line",
-                    line,
-                )
-            num_cols = len([x for x in lspl if x])
-            if num_cols < MIN_COLS:
-                print_error(
-                    "Invalid number of populated columns (minimum = {})!".format(MIN_COLS),
-                    "Line",
-                    line,
-                )
-
-            ## Check sample name entries
-
-            (
-                sample,
-                run_accession,
-                instrument_platform,
-                fastq_1,
-                fastq_2,
-                fasta,
-            ) = lspl[: len(HEADER)]
-            sample = sample.replace(" ", "_")
-            if not sample:
-                print_error("Sample entry has not been specified!", "Line", line)
-
-            ## Check FastQ file extension
-            for fastq in [fastq_1, fastq_2]:
-                if fastq:
-                    if fastq.find(" ") != -1:
-                        print_error("FastQ file contains spaces!", "Line", line)
-                    if not fastq.endswith(FQ_EXTENSIONS):
-                        print_error(
-                            f"FastQ file does not have extension {' or '.join(list(FQ_EXTENSIONS))} !",
-                            "Line",
-                            line,
-                        )
-            if fasta:
-                if fasta.find(" ") != -1:
-                    print_error("FastA file contains spaces!", "Line", line)
-                if not fasta.endswith(FA_EXTENSIONS):
-                    print_error(
-                        f"FastA file does not have extension {' or '.join(list(FA_EXTENSIONS))}!",
-                        "Line",
-                        line,
-                    )
-            sample_info = []
-
-            # Check run_accession
-            if not run_accession:
-                print_error("Run accession has not been specified!", "Line", line)
-            else:
-                sample_info.append(run_accession)
-
-            # Check instrument_platform
-            if not instrument_platform:
-                print_error("Instrument platform has not been specified!", "Line", line)
-            else:
-                if instrument_platform not in INSTRUMENT_PLATFORMS:
-                    print_error(
-                        f"Instrument platform {instrument_platform} is not supported!",
-                        f"List of supported platforms {', '.join(INSTRUMENT_PLATFORMS)}",
-                        "Line",
-                        line,
-                    )
-                sample_info.append(instrument_platform)
-
-            ## Auto-detect paired-end/single-end
-            if sample and fastq_1 and fastq_2:  ## Paired-end short reads
-                sample_info.extend(["0", fastq_1, fastq_2, fasta])
-            elif sample and fastq_1 and not fastq_2:  ## Single-end short/long fastq reads
-                sample_info.extend(["1", fastq_1, fastq_2, fasta])
-            elif sample and fasta and not fastq_1 and not fastq_2:  ## Single-end long reads
-                sample_info.extend(["1", fastq_1, fastq_2, fasta])
-            elif fasta and (fastq_1 or fastq_2):
-                print_error(
-                    "FastQ and FastA files cannot be specified together in the same library!",
-                    "Line",
-                    line,
-                )
-            else:
-                print_error("Invalid combination of columns provided!", "Line", line)
-
-            ## Create sample mapping dictionary = { sample: [ run_accession, instrument_platform, single_end, fastq_1, fastq_2 , fasta ] }
-            if sample not in sample_mapping_dict:
-                sample_mapping_dict[sample] = [sample_info]
-            else:
-                if sample_info in sample_mapping_dict[sample]:
-                    print_error("Samplesheet contains duplicate rows!", "Line", line)
-                else:
-                    sample_mapping_dict[sample].append(sample_info)
-
-    ## Write validated samplesheet with appropriate columns
-    HEADER_OUT = [
-        "sample",
-        "run_accession",
-        "instrument_platform",
-        "single_end",
-        "fastq_1",
-        "fastq_2",
-        "fasta",
-    ]
-    if len(sample_mapping_dict) > 0:
-        out_dir = os.path.dirname(file_out)
-        make_dir(out_dir)
-        with open(file_out, "w") as fout:
-            fout.write(",".join(HEADER_OUT) + "\n")
-            for sample in sorted(sample_mapping_dict.keys()):
-                for idx, val in enumerate(sample_mapping_dict[sample]):
-                    fout.write(f"{sample},{','.join(val)}\n")
-    else:
-        print_error("No entries to process!", "Samplesheet: {}".format(file_in))
-
-
-def main(args=None):
-    args = parse_args(args)
-    check_samplesheet(args.FILE_IN, args.FILE_OUT)
-
-
-if __name__ == "__main__":
-    sys.exit(main())
diff --git a/bin/detect_reads.py b/bin/detect_reads.py
new file mode 100644
index 0000000..8a1430e
--- /dev/null
+++ b/bin/detect_reads.py
@@ -0,0 +1,125 @@
+#!/usr/bin/env python
+
+import argparse
+import csv
+import sys
+from typing import List, NoReturn
+
+
+def parse_args(args=None) -> argparse.Namespace:
+    """
+    Reformatting is based on detecting whether the reads are paired or single end.
+    Script appends appropriate column to samplesheet.csv file.
+    """
+    Description = "Reformat nf-core/taxprofiler samplesheet file."
+    Epilog = "Example usage: python detect_reads.py <FILE_IN> <FILE_OUT>"
+
+    parser = argparse.ArgumentParser(description=Description, epilog=Epilog)
+    parser.add_argument("FILE_IN", help="Input samplesheet file.")
+    parser.add_argument("FILE_OUT", help="Output file.")
+    return parser.parse_args(args)
+
+
+class ReadsModifier:
+    def __init__(self):
+        self.headers = None
+        self.sample_index = None
+        self.fastq_1_index = None
+        self.fastq_2_index = None
+        self.fasta_index = None
+
+    def detect_reads_and_reformat(self, input_file_path: str, output_file_path: str) -> NoReturn:
+        NEW_COLUMN_NAME = "single_end"
+        new_file_rows = []
+
+        with open(input_file_path, "r") as input_file:
+            csv_reader = csv.reader(input_file, delimiter=",")
+            self.headers = next(csv_reader)
+            self.headers.append(NEW_COLUMN_NAME)
+
+            self._infer_column_indexes()
+
+            for samplesheet_row in csv_reader:
+
+                if self._is_paired_end_short_read(samplesheet_row):
+                    new_file_rows.append([*samplesheet_row, "0"])
+
+                elif self._is_single_end_short_long_read(samplesheet_row):
+                    new_file_rows.append([*samplesheet_row, "1"])
+
+                elif self._is_single_end_long_read(samplesheet_row):
+                    new_file_rows.append([*samplesheet_row, "1"])
+
+                elif self._is_error_row(samplesheet_row):
+                    self.print_error(
+                        "FastQ and FastA files cannot be specified together in the same library!",
+                        "Line",
+                        ",".join(samplesheet_row),
+                    )
+                else:
+                    self.print_error("Invalid combination of columns provided!", "Line", ",".join(samplesheet_row))
+
+        self.save_reformatted_samplesheet([self.headers] + new_file_rows, output_file_path)
+
+    def _get_row_values(self, samplesheet_row):
+        """
+        This method extracts data from the columns for given row of samplesheet table, based on
+        previously infered column indexes.
+        """
+        sample = samplesheet_row[self.sample_index]
+        fastq_1 = samplesheet_row[self.fastq_1_index] if self.fastq_1_index else None
+        fastq_2 = samplesheet_row[self.fastq_2_index] if self.fastq_2_index else None
+        fasta = samplesheet_row[self.fasta_index] if self.fasta_index else None
+        return sample, fastq_1, fastq_2, fasta
+
+    def _infer_column_indexes(self):
+        """
+        This method infers indexes of necessary columns from samplesheet table
+        """
+        self.sample_index = self.headers.index("sample")
+        self.fastq_1_index = self.headers.index("fastq_1") if "fastq_1" in self.headers else None
+        self.fastq_2_index = self.headers.index("fastq_2") if "fastq_2" in self.headers else None
+        self.fasta_index = self.headers.index("fasta") if "fasta" in self.headers else None
+
+    def _is_paired_end_short_read(self, samplesheet_row: List) -> bool:
+        sample, fastq_1, fastq_2, _ = self._get_row_values(samplesheet_row)
+        return sample and fastq_1 and fastq_2
+
+    def _is_single_end_short_long_read(self, samplesheet_row: List) -> bool:
+        sample, fastq_1, fastq_2, _ = self._get_row_values(samplesheet_row)
+        return sample and fastq_1 and not fastq_2
+
+    def _is_single_end_long_read(self, samplesheet_row: List) -> bool:
+        sample, fastq_1, fastq_2, fasta = self._get_row_values(samplesheet_row)
+        return sample and fasta and not fastq_1 and not fastq_2
+
+    def _is_error_row(self, samplesheet_row: List) -> bool:
+        sample, fastq_1, fastq_2, fasta = self._get_row_values(samplesheet_row)
+        return fasta and (fastq_1 or fastq_2)
+
+    @staticmethod
+    def print_error(error: str, context: str = "Line", context_str: str = ""):
+        error_str = "ERROR: Please check samplesheet -> {}".format(error)
+        if context != "" and context_str != "":
+            error_str = "ERROR: Please check samplesheet -> {}\n{}: '{}'".format(
+                error, context.strip(), context_str.strip()
+            )
+        print(error_str)
+        sys.exit(1)
+
+    @staticmethod
+    def save_reformatted_samplesheet(new_file_rows: List[List], output_file_path: str) -> NoReturn:
+        """
+        Write new samplesheet.
+        """
+        with open(output_file_path, "w") as output_file:
+            csv.writer(output_file).writerows(new_file_rows)
+
+
+def main(args=None):
+    args = parse_args(args)
+    ReadsModifier().detect_reads_and_reformat(args.FILE_IN, args.FILE_OUT)
+
+
+if __name__ == "__main__":
+    sys.exit(main())
diff --git a/conf/test.config b/conf/test.config
index a39a107..d5dcd67 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -57,4 +57,10 @@ process {
     withName: MEGAN_RMA2INFO_KRONA {
         maxForks = 1
     }
+    withName: 'EIDO_VALIDATE' {
+        ext.args = '--st-index sample'
+    }
+    withName: 'EIDO_CONVERT' {
+        ext.args = '--st-index sample'
+    }
 }
diff --git a/conf/test_pep.config b/conf/test_pep.config
new file mode 100644
index 0000000..e3428fd
--- /dev/null
+++ b/conf/test_pep.config
@@ -0,0 +1,50 @@
+params {
+    config_profile_name        = 'Test PEP profile'
+    config_profile_description = 'Minimal test dataset to check pipeline function with PEP file as an input.'
+
+    // Limit resources so that this can run on GitHub Actions
+    max_cpus   = 2
+    max_memory = '6.GB'
+    max_time   = '6.h'
+
+    // Input data
+    input                                 = null
+    pep                                   = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/delete_me/pep/test_pep_format_files/config.yaml'
+    databases                             = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
+    perform_shortread_qc                  = true
+    perform_longread_qc                   = true
+    perform_shortread_complexityfilter    = true
+    perform_shortread_hostremoval         = true
+    perform_longread_hostremoval          = true
+    perform_runmerging                    = true
+    hostremoval_reference                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/homo_sapiens/genome/genome.fasta'
+    run_kaiju                             = true
+    run_kraken2                           = true
+    run_malt                              = true
+    run_metaphlan3                        = true
+    run_centrifuge                        = true
+    run_diamond                           = true
+    run_motus                             = false
+    run_krona                             = true
+    krona_taxonomy_directory              = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/sarscov2/metagenome/krona_taxonomy.tab'
+    malt_save_reads                       = true
+    kraken2_save_reads                    = true
+    centrifuge_save_reads                 = true
+    diamond_save_reads                    = true
+}
+
+
+process {
+    withName: MALT_RUN {
+        maxForks = 1
+    }
+    withName: MEGAN_RMA2INFO {
+        maxForks = 1
+    }
+    withName: 'EIDO_VALIDATE' {
+        ext.args = '--st-index sample'
+    }
+    withName: 'EIDO_CONVERT' {
+        ext.args = '--st-index sample'
+    }
+}
diff --git a/docs/usage.md b/docs/usage.md
index 8ae5257..cd4b749 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -277,6 +277,9 @@ If `-profile` is not specified, the pipeline will run locally and expect all sof
 - `test`
   - A profile with a complete configuration for automated testing
   - Includes links to test data so needs no other parameters
+- `test_pep`
+  - A profile with a complete configuration for running a pipeline with PEP as input
+  - Includes links to test data so needs no other parameters
 
 ### `-resume`
 
diff --git a/lib/WorkflowMain.groovy b/lib/WorkflowMain.groovy
index c90cf49..b9dd514 100755
--- a/lib/WorkflowMain.groovy
+++ b/lib/WorkflowMain.groovy
@@ -74,7 +74,7 @@ class WorkflowMain {
         NfcoreTemplate.awsBatch(workflow, params)
 
         // Check input has been provided
-        if (!params.input) {
+        if (!params.input && !params.pep) {
             log.error "Please provide an input samplesheet to the pipeline e.g. '--input samplesheet.csv'"
             System.exit(1)
         }
diff --git a/modules.json b/modules.json
index 385149a..feed11f 100644
--- a/modules.json
+++ b/modules.json
@@ -41,6 +41,14 @@
                     "branch": "master",
                     "git_sha": "3531824af826c16cd252bc5aa82ae169b244ebaa"
                 },
+                "eido/convert": {
+                    "branch": "master",
+                    "git_sha": "c9b29c76869d9713130a13a418c1e8b5aecfb80d"
+                },
+                "eido/validate": {
+                    "branch": "master",
+                    "git_sha": "8c0127e071711cb0a2648a6bdf881637a9d7eadc"
+                },
                 "fastp": {
                     "branch": "master",
                     "git_sha": "2c70c1c1951aaf884d2e8d8d9c871db79f7b35aa"
diff --git a/modules/local/samplesheet_check.nf b/modules/local/samplesheet_check.nf
index dea4362..f048351 100644
--- a/modules/local/samplesheet_check.nf
+++ b/modules/local/samplesheet_check.nf
@@ -13,11 +13,9 @@ process SAMPLESHEET_CHECK {
     path '*.csv'       , emit: csv
     path "versions.yml", emit: versions
 
-    script: // This script is bundled with the pipeline, in nf-core/taxprofiler/bin/
+    script: // detect_reads.py script is bundled with the pipeline, in nf-core/taxprofiler/bin/
     """
-    check_samplesheet.py \\
-        $samplesheet \\
-        samplesheet.valid.csv
+    python3 $projectDir/bin/detect_reads.py $samplesheet samplesheet_validated.csv
 
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":
diff --git a/modules/nf-core/modules/eido/convert/main.nf b/modules/nf-core/modules/eido/convert/main.nf
new file mode 100644
index 0000000..40cd57a
--- /dev/null
+++ b/modules/nf-core/modules/eido/convert/main.nf
@@ -0,0 +1,37 @@
+process EIDO_CONVERT {
+    tag '$samplesheet'
+    label 'process_single'
+
+    conda (params.enable_conda ? "conda-forge::eido=0.1.9" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://containers.biocontainers.pro/s3/SingImgsRepo/eido/0.1.9_cv1/eido_0.1.9_cv1.sif' :
+        'biocontainers/eido:0.1.9_cv1' }"
+
+    input:
+    path samplesheet
+    val format
+
+    output:
+    path "versions.yml"           , emit: versions
+    path "${prefix}.${format}"    , emit: samplesheet_converted
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    prefix = task.ext.prefix ?: "samplesheet_converted"
+    """
+    eido \\
+        convert \\
+        -f $format \\
+        $samplesheet \\
+        $args \\
+        -p samples=${prefix}.${format}
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        eido: \$(echo \$(eido --version 2>&1) | sed 's/^.*eido //;s/ .*//' ))
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/modules/eido/convert/meta.yml b/modules/nf-core/modules/eido/convert/meta.yml
new file mode 100644
index 0000000..0cf354a
--- /dev/null
+++ b/modules/nf-core/modules/eido/convert/meta.yml
@@ -0,0 +1,36 @@
+name: "eido_convert"
+description: Convert any PEP project or Nextflow samplesheet to any format
+keywords:
+  - eido
+  - convert
+  - PEP
+  - format
+  - samplesheet
+tools:
+  - "eido":
+      description: "Convert any PEP project or Nextflow samplesheet to any format"
+      homepage: "http://eido.databio.org/en/latest/"
+      documentation: "http://eido.databio.org/en/latest/"
+      doi: "10.1093/gigascience/giab077"
+      licence: "BSD-2-Clause"
+
+input:
+  - samplesheet:
+      type: file
+      description: Nextflow samplesheet or PEP project
+      pattern: "*.{yaml,yml,csv}"
+  - format:
+      type: value
+      description: Extension of an output file
+
+output:
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+  - samplesheet_converted:
+      type: file
+      description: PEP project or samplesheet converted to csv file
+
+authors:
+  - "@rafalstepien"
diff --git a/modules/nf-core/modules/eido/validate/main.nf b/modules/nf-core/modules/eido/validate/main.nf
new file mode 100644
index 0000000..bc6a111
--- /dev/null
+++ b/modules/nf-core/modules/eido/validate/main.nf
@@ -0,0 +1,32 @@
+process EIDO_VALIDATE {
+    tag '$samplesheet'
+    label 'process_single'
+
+    conda (params.enable_conda ? "conda-forge::eido=0.1.9" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://containers.biocontainers.pro/s3/SingImgsRepo/eido/0.1.9_cv2/eido_0.1.9_cv2.sif' :
+        'biocontainers/eido:0.1.9_cv2' }"
+
+    input:
+    path samplesheet
+    path schema
+
+    output:
+    path "versions.yml"  , emit: versions
+    path "*.log"         , emit: log
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args   = task.ext.args   ?: ''
+    def prefix = task.ext.prefix ?: "validation"
+    """
+    eido validate $args $samplesheet -s $schema -e > ${prefix}.log
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        eido: \$(echo \$(eido --version 2>&1) | sed 's/^.*eido //;s/ .*//' ))
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/modules/eido/validate/meta.yml b/modules/nf-core/modules/eido/validate/meta.yml
new file mode 100644
index 0000000..962f59e
--- /dev/null
+++ b/modules/nf-core/modules/eido/validate/meta.yml
@@ -0,0 +1,38 @@
+name: "eido_validate"
+description: Validate samplesheet or PEP config against a schema
+keywords:
+  - eido
+  - validate
+  - schema
+  - format
+  - pep
+tools:
+  - "validate":
+      description: "Validate samplesheet or PEP config against a schema."
+      homepage: "http://eido.databio.org/en/latest/"
+      documentation: "http://eido.databio.org/en/latest/"
+      doi: "10.1093/gigascience/giab077"
+      licence: "BSD-2-Clause"
+
+input:
+  - samplesheet:
+      type: file
+      description: Samplesheet or PEP file to be validated
+      pattern: "*.{yaml,yml,csv}"
+  - schema:
+      type: file
+      description: Schema that the samplesheet will be validated against
+      pattern: "*.{yaml,yml}"
+
+output:
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+  - log:
+      type: file
+      description: File containing validation log.
+      pattern: "*.log"
+
+authors:
+  - "@rafalstepien"
diff --git a/nextflow.config b/nextflow.config
index df5b90b..f3c7756 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -12,6 +12,7 @@ params {
     // TODO nf-core: Specify your pipeline's command line flags
     // Input options
     input                      = null
+    pep                        = null
 
 
     // References
@@ -227,6 +228,7 @@ profiles {
     test_nopreprocessing    { includeConfig 'conf/test_nopreprocessing.config' }
     test_nothing            { includeConfig 'conf/test_nothing.config' }
     test_motus              { includeConfig 'conf/test_motus.config' }
+    test_pep { includeConfig 'conf/test_pep.config' }
 }
 
 
diff --git a/nextflow_schema.json b/nextflow_schema.json
index eb839ec..e8690f2 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,8 +10,13 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["input", "databases", "outdir"],
+            "required": ["outdir", "databases"],
             "properties": {
+                "pep": {
+                    "type": "string",
+                    "format": "file-path",
+                    "pattern": "^\\S+\\.yaml$"
+                },
                 "input": {
                     "type": "string",
                     "format": "file-path",
diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index eb21b9d..5db1520 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -3,13 +3,18 @@
 //
 
 include { SAMPLESHEET_CHECK } from '../../modules/local/samplesheet_check'
+include { EIDO_VALIDATE } from '../../modules/nf-core/modules/eido/validate/main'
+include { EIDO_CONVERT } from '../../modules/nf-core/modules/eido/convert/main'
 
 workflow INPUT_CHECK {
     take:
-    samplesheet // file: /path/to/samplesheet.csv
+    samplesheet_or_pep_config // file: /path/to/samplesheet.csv or /path/to/pep/config.yaml
+    base_dir // file: path to PEP directory
 
     main:
-    parsed_samplesheet = SAMPLESHEET_CHECK ( samplesheet )
+    EIDO_VALIDATE ( samplesheet_or_pep_config, file("$projectDir/assets/samplesheet_schema.yaml") )
+    converted_samplesheet = EIDO_CONVERT ( samplesheet_or_pep_config, "csv" )
+    parsed_samplesheet = SAMPLESHEET_CHECK ( converted_samplesheet.samplesheet_converted )
         .csv
         .splitCsv ( header:true, sep:',' )
         .branch {
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 223ba15..1f38214 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -17,7 +17,26 @@ def checkPathParamList = [ params.input, params.databases, params.hostremoval_re
 for (param in checkPathParamList) { if (param) { file(param, checkIfExists: true) } }
 
 // Check mandatory parameters
-if (params.input    ) { ch_input     = file(params.input)     } else { exit 1, 'Input samplesheet not specified!' }
+if (params.input) {
+    ch_input = file(params.input)
+    ch_input_basedir = []
+
+} else if (params.pep) {
+
+    if ( params.pep.startsWith("http://") || params.pep.startsWith("https://") ) {
+        ch_input = file(params.pep)
+        ch_input_basedir = []
+    }
+
+    else {
+        ch_input = file(params.pep)
+        ch_input_basedir = new File(params.pep).getParent()
+    }
+
+}  else {
+    exit 1, 'Input samplesheet or PEP config not specified!'
+}
+
 if (params.databases) { ch_databases = file(params.databases) } else { exit 1, 'Input database sheet not specified!' }
 
 if (params.shortread_qc_mergepairs && params.run_malt ) log.warn "[nf-core/taxprofiler] MALT does not accept uncollapsed paired-reads. Pairs will be profiled as separate files."
@@ -98,7 +117,7 @@ workflow TAXPROFILER {
         SUBWORKFLOW: Read in samplesheet, validate and stage input files
     */
     INPUT_CHECK (
-        ch_input
+        ch_input, ch_input_basedir
     )
     ch_versions = ch_versions.mix(INPUT_CHECK.out.versions)
 

From 23a33a63ccd163e08cc4cfe9ed34e4682575967e Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Thu, 15 Sep 2022 08:11:37 +0200
Subject: [PATCH 355/789] Update README.md

---
 README.md | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/README.md b/README.md
index 672c2a9..ddbaddf 100644
--- a/README.md
+++ b/README.md
@@ -12,6 +12,8 @@
 
 ## Introduction
 
+> ⚠️ This pipeline is still under development! While the pipeline is usable, not all functionality will be available!
+
 <!-- TODO nf-core: Write a 1-2 sentence summary of what data the pipeline is for and what it does -->
 
 **nf-core/taxprofiler** is a bioinformatics best-practice analysis pipeline for taxonomic profiling of shotgun metagenomic data. It allows for in-parallel profiling with multiple profiling tools against multiple databases, produces standardised output tables.

From 21ae9d85c3ca05adb2b48a72389abd4195fd21a2 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 15 Sep 2022 12:29:54 +0200
Subject: [PATCH 356/789] Ensure merge metaphlan3 tables happens on per
 database basis

---
 modules.json                                           |  4 ++--
 .../modules/metaphlan3/mergemetaphlantables/main.nf    |  6 +++---
 .../modules/metaphlan3/mergemetaphlantables/meta.yml   | 10 ++++++++++
 modules/nf-core/modules/metaphlan3/metaphlan3/main.nf  |  2 +-
 modules/nf-core/modules/metaphlan3/metaphlan3/meta.yml |  2 +-
 subworkflows/local/profiling.nf                        |  8 ++++----
 subworkflows/local/standardisation_profiles.nf         |  2 +-
 7 files changed, 22 insertions(+), 12 deletions(-)

diff --git a/modules.json b/modules.json
index cbbae85..7c02b3e 100644
--- a/modules.json
+++ b/modules.json
@@ -96,11 +96,11 @@
                 },
                 "metaphlan3/mergemetaphlantables": {
                     "branch": "master",
-                    "git_sha": "940d7fe9d63962e0e2ba0987e2893fb0aff832e3"
+                    "git_sha": "36bcd675ae76a379a38165898a203f4915823f4f"
                 },
                 "metaphlan3/metaphlan3": {
                     "branch": "master",
-                    "git_sha": "940d7fe9d63962e0e2ba0987e2893fb0aff832e3"
+                    "git_sha": "978087354eb72ac1f6e18a3f790fad9bc4d05840"
                 },
                 "minimap2/align": {
                     "branch": "master",
diff --git a/modules/nf-core/modules/metaphlan3/mergemetaphlantables/main.nf b/modules/nf-core/modules/metaphlan3/mergemetaphlantables/main.nf
index 6fd05e3..7c37eca 100644
--- a/modules/nf-core/modules/metaphlan3/mergemetaphlantables/main.nf
+++ b/modules/nf-core/modules/metaphlan3/mergemetaphlantables/main.nf
@@ -7,10 +7,10 @@ process METAPHLAN3_MERGEMETAPHLANTABLES {
         'quay.io/biocontainers/metaphlan:3.0.12--pyhb7b1952_0' }"
 
     input:
-    path(profiles)
+    tuple val(meta), path(profiles)
 
     output:
-    tuple path("${prefix}.txt") , emit: txt
+    tuple val(meta), path("${prefix}.txt") , emit: txt
     path "versions.yml" , emit: versions
 
     when:
@@ -18,7 +18,7 @@ process METAPHLAN3_MERGEMETAPHLANTABLES {
 
     script:
     def args = task.ext.args ?: ''
-    prefix = task.ext.prefix ?: "merged_abundance_table"
+    prefix = task.ext.prefix ?: "${meta.id}"
     """
     merge_metaphlan_tables.py \\
         $args \\
diff --git a/modules/nf-core/modules/metaphlan3/mergemetaphlantables/meta.yml b/modules/nf-core/modules/metaphlan3/mergemetaphlantables/meta.yml
index c94be25..365973e 100644
--- a/modules/nf-core/modules/metaphlan3/mergemetaphlantables/meta.yml
+++ b/modules/nf-core/modules/metaphlan3/mergemetaphlantables/meta.yml
@@ -15,12 +15,22 @@ tools:
       licence: ["MIT License"]
 
 input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
   - profiles:
       type: file
       description: List of per-sample MetaPhlAn3 taxonomic abundance tables
       pattern: "*"
 
 output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
   - versions:
       type: file
       description: File containing software versions
diff --git a/modules/nf-core/modules/metaphlan3/metaphlan3/main.nf b/modules/nf-core/modules/metaphlan3/metaphlan3/main.nf
index e56f102..1453466 100644
--- a/modules/nf-core/modules/metaphlan3/metaphlan3/main.nf
+++ b/modules/nf-core/modules/metaphlan3/metaphlan3/main.nf
@@ -1,4 +1,4 @@
-process METAPHLAN3 {
+process METAPHLAN3_METAPHLAN3 {
     tag "$meta.id"
     label 'process_high'
 
diff --git a/modules/nf-core/modules/metaphlan3/metaphlan3/meta.yml b/modules/nf-core/modules/metaphlan3/metaphlan3/meta.yml
index 093de5b..659d83a 100644
--- a/modules/nf-core/modules/metaphlan3/metaphlan3/meta.yml
+++ b/modules/nf-core/modules/metaphlan3/metaphlan3/meta.yml
@@ -1,4 +1,4 @@
-name: metaphlan3
+name: metaphlan3_metaphlan3
 description: MetaPhlAn is a tool for profiling the composition of microbial communities from metagenomic shotgun sequencing data.
 keywords:
   - metagenomics
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 37b4a2c..c2ef508 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -7,7 +7,7 @@ include { MEGAN_RMA2INFO as MEGAN_RMA2INFO_TSV  } from '../../modules/nf-core/mo
 include { KRAKEN2_KRAKEN2                       } from '../../modules/nf-core/modules/kraken2/kraken2/main'
 include { CENTRIFUGE_CENTRIFUGE                 } from '../../modules/nf-core/modules/centrifuge/centrifuge/main'
 include { CENTRIFUGE_KREPORT                    } from '../../modules/nf-core/modules/centrifuge/kreport/main'
-include { METAPHLAN3                            } from '../../modules/nf-core/modules/metaphlan3/metaphlan3/main'
+include { METAPHLAN3_METAPHLAN3                 } from '../../modules/nf-core/modules/metaphlan3/metaphlan3/main'
 include { KAIJU_KAIJU                           } from '../../modules/nf-core/modules/kaiju/kaiju/main'
 include { DIAMOND_BLASTX                        } from '../../modules/nf-core/modules/diamond/blastx/main'
 include { MOTUS_PROFILE                         } from '../../modules/nf-core/modules/motus/profile/main'
@@ -168,9 +168,9 @@ workflow PROFILING {
                                     db: it[3]
                             }
 
-        METAPHLAN3 ( ch_input_for_metaphlan3.reads, ch_input_for_metaphlan3.db )
-        ch_versions        = ch_versions.mix( METAPHLAN3.out.versions.first() )
-        ch_raw_profiles    = ch_raw_profiles.mix( METAPHLAN3.out.biom )
+        METAPHLAN3_METAPHLAN3 ( ch_input_for_metaphlan3.reads, ch_input_for_metaphlan3.db )
+        ch_versions        = ch_versions.mix( METAPHLAN3_METAPHLAN3.out.versions.first() )
+        ch_raw_profiles    = ch_raw_profiles.mix( METAPHLAN3_METAPHLAN3.out.profile )
 
     }
 
diff --git a/subworkflows/local/standardisation_profiles.nf b/subworkflows/local/standardisation_profiles.nf
index 6d404be..a557bff 100644
--- a/subworkflows/local/standardisation_profiles.nf
+++ b/subworkflows/local/standardisation_profiles.nf
@@ -65,7 +65,7 @@ workflow STANDARDISATION_PROFILES {
                             .map { [it[0]['db_name'], it[1]] }
                             .groupTuple()
                             .map {
-                                [it[1]]
+                                [[id:it[0]], it[1]]
                             }
 
     METAPHLAN3_MERGEMETAPHLANTABLES ( ch_profiles_for_metaphlan3 )

From 19a195ed147ce775260b86c4d939966b51b40634 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 15 Sep 2022 12:30:39 +0200
Subject: [PATCH 357/789] Append profiler to resulting file

---
 conf/modules.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/conf/modules.config b/conf/modules.config
index d4bd038..01e0e17 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -338,7 +338,7 @@ process {
     }
 
     withName: METAPHLAN3_MERGEMETAPHLANTABLES {
-        ext.prefix = { "${meta.id}_combined_reports" }
+        ext.prefix = { "metaphlan3_${meta.id}_combined_reports" }
         publishDir = [
             path: { "${params.outdir}/metaphlan3/" },
             mode: params.publish_dir_mode,

From 768f9980d8b9296068ff4e02b6a6e4a90e83effd Mon Sep 17 00:00:00 2001
From: Rafal Stepien <rstepien095@gmail.com>
Date: Thu, 15 Sep 2022 12:31:49 -0400
Subject: [PATCH 358/789] Add pep_input_base_dir to workflow. Just need to
 update modules

---
 README.md                         | 8 +++-----
 assets/samplesheet_schema.yaml    | 6 +++---
 docs/usage.md                     | 4 ++++
 subworkflows/local/input_check.nf | 6 +++---
 workflows/taxprofiler.nf          | 8 ++++----
 5 files changed, 17 insertions(+), 15 deletions(-)

diff --git a/README.md b/README.md
index 5f4c886..6f64c5a 100644
--- a/README.md
+++ b/README.md
@@ -67,16 +67,14 @@ On release, automated continuous integration tests run the pipeline on a full-si
    > - If you are using `singularity`, please use the [`nf-core download`](https://nf-co.re/tools/#downloading-pipelines-for-offline-use) command to download images first, before running the pipeline. Setting the [`NXF_SINGULARITY_CACHEDIR` or `singularity.cacheDir`](https://www.nextflow.io/docs/latest/singularity.html?#singularity-docker-hub) Nextflow options enables you to store and re-use the images from a central location for future pipeline runs.
    > - If you are using `conda`, it is highly recommended to use the [`NXF_CONDA_CACHEDIR` or `conda.cacheDir`](https://www.nextflow.io/docs/latest/conda.html) settings to store the environments in a central location for future pipeline runs.
 
-4. You can also run the pipeline using PEP format as an input by running following command:
-   ```console
-   nextflow run main.nf -profile test_pep,docker --outdir <OUTDIR>
-   ```
-5. Start running your own analysis!
+4. Start running your own analysis!
 
    ```console
    nextflow run nf-core/taxprofiler --input samplesheet.csv --databases database.csv --outdir <OUTDIR> --run_<TOOL1> --run_<TOOL1> -profile <docker/singularity/podman/shifter/charliecloud/conda/institute>
    ```
 
+  Note pipeline supports both CSV and PEP input sample sheets. Find out more [here](http://pep.databio.org/en/2.1.0/specification/).
+
 ## Documentation
 
 The nf-core/taxprofiler pipeline comes with documentation about the pipeline [usage](https://nf-co.re/taxprofiler/usage), [parameters](https://nf-co.re/taxprofiler/parameters) and [output](https://nf-co.re/taxprofiler/output).
diff --git a/assets/samplesheet_schema.yaml b/assets/samplesheet_schema.yaml
index 3b1e978..88ff451 100644
--- a/assets/samplesheet_schema.yaml
+++ b/assets/samplesheet_schema.yaml
@@ -33,15 +33,15 @@ properties:
             ]
         fastq1:
           type: ["string", "null"]
-          description: "FASTQ file for read 1."
+          description: "Optional FASTQ file for read 1 of paired-end sequenced libraries."
           pattern: "^[\\S]+.(fq\\.gz|fastq\\.gz)$"
         fastq2:
           type: ["string", "null"]
-          description: "FASTQ file for read 2."
+          description: "Optional FASTQ file for read 2 of paired-end sequenced libraries."
           pattern: "^[\\S]+.(fq\\.gz|fastq\\.gz)$"
         fasta:
           type: ["string", "null"]
-          description: "Path to FASTA file."
+          description: "Optional FASTA file."
           pattern: "^[\\S]+.(fa\\.gz|fasta\\.gz)$"
       required:
         - sample
diff --git a/docs/usage.md b/docs/usage.md
index cd4b749..252c84d 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -22,6 +22,10 @@ This samplesheet is then specified on the command line as follows:
 --input '[path to samplesheet file]' --databases '[path to database sheet file]'
 ```
 
+Note pipeline supports both CSV and PEP input sample sheets. Find out more [here](http://pep.databio.org/en/2.1.0/specification/).
+When using PEP as an input, the `samplesheet.csv` must be placed in the same folder
+as `config.yaml` file. A path to `samplesheet.csv` within the config must be absolute.
+
 ### Multiple runs of the same sample
 
 The `sample` identifiers have to be the same when you have re-sequenced the same sample more than once e.g. to increase sequencing depth. The pipeline will concatenate different runs FASTQ files of the same sample before performing profiling, when `--perform_runmerging` is supplied. Below is an example for the same sample sequenced across 3 lanes:
diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index 5db1520..0a07538 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -9,11 +9,11 @@ include { EIDO_CONVERT } from '../../modules/nf-core/modules/eido/convert/main'
 workflow INPUT_CHECK {
     take:
     samplesheet_or_pep_config // file: /path/to/samplesheet.csv or /path/to/pep/config.yaml
-    base_dir // file: path to PEP directory
+    ch_pep_input_base_dir
 
     main:
-    EIDO_VALIDATE ( samplesheet_or_pep_config, file("$projectDir/assets/samplesheet_schema.yaml") )
-    converted_samplesheet = EIDO_CONVERT ( samplesheet_or_pep_config, "csv" )
+    EIDO_VALIDATE ( samplesheet_or_pep_config, file("$projectDir/assets/samplesheet_schema.yaml"), ch_pep_input_base_dir )
+    converted_samplesheet = EIDO_CONVERT ( samplesheet_or_pep_config, "csv", ch_pep_input_base_dir )
     parsed_samplesheet = SAMPLESHEET_CHECK ( converted_samplesheet.samplesheet_converted )
         .csv
         .splitCsv ( header:true, sep:',' )
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 1f38214..76cc83c 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -19,18 +19,18 @@ for (param in checkPathParamList) { if (param) { file(param, checkIfExists: true
 // Check mandatory parameters
 if (params.input) {
     ch_input = file(params.input)
-    ch_input_basedir = []
+    ch_pep_input_base_dir = []
 
 } else if (params.pep) {
 
     if ( params.pep.startsWith("http://") || params.pep.startsWith("https://") ) {
         ch_input = file(params.pep)
-        ch_input_basedir = []
+        ch_pep_input_base_dir = []
     }
 
     else {
         ch_input = file(params.pep)
-        ch_input_basedir = new File(params.pep).getParent()
+        ch_pep_input_base_dir = new File(params.pep).getParent()
     }
 
 }  else {
@@ -117,7 +117,7 @@ workflow TAXPROFILER {
         SUBWORKFLOW: Read in samplesheet, validate and stage input files
     */
     INPUT_CHECK (
-        ch_input, ch_input_basedir
+        ch_input, ch_pep_input_base_dir
     )
     ch_versions = ch_versions.mix(INPUT_CHECK.out.versions)
 

From 4e7857e2edbfed4776c0775859084b045316b5d8 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 16 Sep 2022 08:36:34 +0200
Subject: [PATCH 359/789] Standardise mOTUs table merge

---
 conf/modules.config                            |  2 ++
 modules.json                                   |  6 +++---
 modules/nf-core/modules/motus/merge/main.nf    | 13 +++++++------
 subworkflows/local/standardisation_profiles.nf | 13 ++++++++++++-
 4 files changed, 24 insertions(+), 10 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 2dd163f..3bd9a32 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -418,6 +418,8 @@ process {
     }
 
     withName: MOTUS_MERGE {
+        ext.args = { params.generate_biom_output ? "-B" : "" }
+        ext.prefix = { "motus_${meta.id}_combined_reports" }
         publishDir = [
             path: { "${params.outdir}/motus/" },
             mode: params.publish_dir_mode
diff --git a/modules.json b/modules.json
index 242e8e8..3149225 100644
--- a/modules.json
+++ b/modules.json
@@ -99,7 +99,7 @@
                 },
                 "metaphlan3/metaphlan3": {
                     "branch": "master",
-                    "git_sha": "940d7fe9d63962e0e2ba0987e2893fb0aff832e3"
+                    "git_sha": "978087354eb72ac1f6e18a3f790fad9bc4d05840"
                 },
                 "minimap2/align": {
                     "branch": "master",
@@ -107,11 +107,11 @@
                 },
                 "minimap2/index": {
                     "branch": "master",
-                    "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
+                    "git_sha": "73e062cf5e0ef346f65d73009b1b656299359fc5"
                 },
                 "motus/merge": {
                     "branch": "master",
-                    "git_sha": "b02e648c221e1da17cb589eefe297e61ec9e9c49"
+                    "git_sha": "8372df6fb2a7638adacae070860685373be61e1f"
                 },
                 "motus/profile": {
                     "branch": "master",
diff --git a/modules/nf-core/modules/motus/merge/main.nf b/modules/nf-core/modules/motus/merge/main.nf
index 01ca5a2..dcab92f 100644
--- a/modules/nf-core/modules/motus/merge/main.nf
+++ b/modules/nf-core/modules/motus/merge/main.nf
@@ -1,6 +1,7 @@
 VERSION = '3.0.1'
 
 process MOTUS_MERGE {
+    tag "$meta.id"
     label 'process_low'
 
     conda (params.enable_conda ? "bioconda::motus=3.0.1" : null)
@@ -9,14 +10,14 @@ process MOTUS_MERGE {
         'quay.io/biocontainers/motus:3.0.1--pyhdfd78af_0' }"
 
     input:
-    path input
+    tuple val(meta), path(input)
     path db // to stop docker saying it can't find it... would have to have the module in upstream steps anyway
     path profile_version_yml, stageAs: 'profile_version.yml'
     val biom_format
 
     output:
-    path("*.txt") , optional: true, emit: txt
-    path("*.biom"), optional: true, emit: biom
+    tuple val(meta), path("*.txt") , optional: true, emit: txt
+    tuple val(meta), path("*.biom"), optional: true, emit: biom
     path "versions.yml" , emit: versions
 
     when:
@@ -24,16 +25,16 @@ process MOTUS_MERGE {
 
     script:
     def args = task.ext.args ?: ''
-    def prefix = 'motus_merged'
+    def prefix = task.ext.prefix ?: "${meta.id}"
     def cmd_input = input.size() > 1 ? "-i ${input.join(',')}" : input.isDirectory() ? "-d ${input}" : "-i ${input}"
-    def output = biom_format ? "-B -o ${prefix}.biom" : "-o ${prefix}.txt"
+    def suffix = task.ext.args?.contains("-B") ? "biom" : "txt"
     """
     motus \\
         merge \\
         -db $db \\
         ${cmd_input} \\
         $args \\
-        ${output}
+        -o ${prefix}.${suffix}
 
     ## Take version from the mOTUs/profile module output, as cannot reconstruct
     ## version without having database staged in this directory.
diff --git a/subworkflows/local/standardisation_profiles.nf b/subworkflows/local/standardisation_profiles.nf
index 269a22c..a82b59d 100644
--- a/subworkflows/local/standardisation_profiles.nf
+++ b/subworkflows/local/standardisation_profiles.nf
@@ -96,10 +96,21 @@ workflow STANDARDISATION_PROFILES {
     ch_multiqc_files = ch_multiqc_files.mix( KRAKENTOOLS_COMBINEKREPORTS.out.txt )
     ch_versions = ch_versions.mix( KRAKENTOOLS_COMBINEKREPORTS.out.versions )
 
+    // mOTUs
+
     // mOTUs has a 'single' database, and cannot create custom ones.
     // Therefore removing db info here, and publish merged at root mOTUs results
     // directory
-    MOTUS_MERGE ( ch_input_profiles.motus.map{it[1]}.collect(), ch_input_databases.motus.map{it[1]}, motu_version, params.generate_biom_output )
+
+    ch_profiles_for_motus = ch_input_profiles.motus
+                                .map { [it[0]['db_name'], it[1]] }
+                                .groupTuple()
+                                .map {
+                                    [[id:it[0]], it[1]]
+                                }
+
+    MOTUS_MERGE ( ch_profiles_for_motus, ch_input_databases.motus.map{it[1]}, motu_version, [] )
+
     if ( params.generate_biom_output ) {
         ch_standardised_tables = ch_standardised_tables.mix ( MOTUS_MERGE.out.biom )
     } else {

From 2c83b367a7eebbda6ff64539925e321de10befa5 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Fri, 16 Sep 2022 09:28:42 +0200
Subject: [PATCH 360/789] Apply suggestions from code review

---
 modules.json | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/modules.json b/modules.json
index 3149225..913c795 100644
--- a/modules.json
+++ b/modules.json
@@ -99,7 +99,7 @@
                 },
                 "metaphlan3/metaphlan3": {
                     "branch": "master",
-                    "git_sha": "978087354eb72ac1f6e18a3f790fad9bc4d05840"
+                    "git_sha": "940d7fe9d63962e0e2ba0987e2893fb0aff832e3"
                 },
                 "minimap2/align": {
                     "branch": "master",
@@ -107,7 +107,7 @@
                 },
                 "minimap2/index": {
                     "branch": "master",
-                    "git_sha": "73e062cf5e0ef346f65d73009b1b656299359fc5"
+                    "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
                 },
                 "motus/merge": {
                     "branch": "master",

From c5cc21d29e0cc06482be02450210d85c33ea85bd Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 16 Sep 2022 10:25:24 +0200
Subject: [PATCH 361/789] Update motus merge module to remove unused channel

---
 modules.json                                   | 2 +-
 modules/nf-core/modules/motus/merge/main.nf    | 1 -
 modules/nf-core/modules/motus/merge/meta.yml   | 3 ---
 subworkflows/local/standardisation_profiles.nf | 2 +-
 4 files changed, 2 insertions(+), 6 deletions(-)

diff --git a/modules.json b/modules.json
index 3149225..64fc39e 100644
--- a/modules.json
+++ b/modules.json
@@ -111,7 +111,7 @@
                 },
                 "motus/merge": {
                     "branch": "master",
-                    "git_sha": "8372df6fb2a7638adacae070860685373be61e1f"
+                    "git_sha": "54ff289487244bf15543ecfa62bd4df49be72b73"
                 },
                 "motus/profile": {
                     "branch": "master",
diff --git a/modules/nf-core/modules/motus/merge/main.nf b/modules/nf-core/modules/motus/merge/main.nf
index dcab92f..a050c7a 100644
--- a/modules/nf-core/modules/motus/merge/main.nf
+++ b/modules/nf-core/modules/motus/merge/main.nf
@@ -13,7 +13,6 @@ process MOTUS_MERGE {
     tuple val(meta), path(input)
     path db // to stop docker saying it can't find it... would have to have the module in upstream steps anyway
     path profile_version_yml, stageAs: 'profile_version.yml'
-    val biom_format
 
     output:
     tuple val(meta), path("*.txt") , optional: true, emit: txt
diff --git a/modules/nf-core/modules/motus/merge/meta.yml b/modules/nf-core/modules/motus/merge/meta.yml
index c9c7711..02d11d0 100644
--- a/modules/nf-core/modules/motus/merge/meta.yml
+++ b/modules/nf-core/modules/motus/merge/meta.yml
@@ -35,9 +35,6 @@ input:
         this itself without having the motus database present and configured with the tool
         so here we take it from what is already reported by the upstream module.
       pattern: "versions.yml"
-  - biom_format:
-      type: boolean
-      description: Whether to save output OTU table in biom format
 
 output:
   - versions:
diff --git a/subworkflows/local/standardisation_profiles.nf b/subworkflows/local/standardisation_profiles.nf
index a82b59d..9a867d1 100644
--- a/subworkflows/local/standardisation_profiles.nf
+++ b/subworkflows/local/standardisation_profiles.nf
@@ -109,7 +109,7 @@ workflow STANDARDISATION_PROFILES {
                                     [[id:it[0]], it[1]]
                                 }
 
-    MOTUS_MERGE ( ch_profiles_for_motus, ch_input_databases.motus.map{it[1]}, motu_version, [] )
+    MOTUS_MERGE ( ch_profiles_for_motus, ch_input_databases.motus.map{it[1]}, motu_version )
 
     if ( params.generate_biom_output ) {
         ch_standardised_tables = ch_standardised_tables.mix ( MOTUS_MERGE.out.biom )

From f43c54317ccdbb4798708b751206d59eaeeb2f02 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Fri, 16 Sep 2022 15:20:47 +0200
Subject: [PATCH 362/789] Update subworkflows/local/standardisation_profiles.nf

Co-authored-by: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
---
 subworkflows/local/standardisation_profiles.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/standardisation_profiles.nf b/subworkflows/local/standardisation_profiles.nf
index f63c10a..c8c364d 100644
--- a/subworkflows/local/standardisation_profiles.nf
+++ b/subworkflows/local/standardisation_profiles.nf
@@ -5,7 +5,7 @@
 include { KAIJU_KAIJU2TABLE                                                     } from '../../modules/nf-core/modules/kaiju/kaiju2table/main'
 include { KRAKENTOOLS_COMBINEKREPORTS                                           } from '../../modules/nf-core/modules/krakentools/combinekreports/main'
 include { KRAKENTOOLS_COMBINEKREPORTS as KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE } from '../../modules/nf-core/modules/krakentools/combinekreports/main'
-include { METAPHLAN3_MERGEMETAPHLANTABLES } from '../../modules/nf-core/modules/metaphlan3/mergemetaphlantables/main'
+include { METAPHLAN3_MERGEMETAPHLANTABLES                                       } from '../../modules/nf-core/modules/metaphlan3/mergemetaphlantables/main'
 include { MOTUS_MERGE                                                           } from '../../modules/nf-core/modules/motus/merge/main'
 
 workflow STANDARDISATION_PROFILES {

From 93493468649e3f1504ca1b15eaaaf85b4555b876 Mon Sep 17 00:00:00 2001
From: Rafal Stepien <rstepien095@gmail.com>
Date: Fri, 16 Sep 2022 09:08:28 -0400
Subject: [PATCH 363/789] Remove --pep parameter and leave just --input

---
 README.md                                     |  2 +-
 conf/modules.config                           |  8 +++++++
 conf/test_pep.config                          |  9 +-------
 lib/WorkflowMain.groovy                       |  4 ++--
 modules.json                                  |  4 ++--
 modules/nf-core/modules/eido/convert/main.nf  |  1 +
 modules/nf-core/modules/eido/convert/meta.yml |  3 +++
 modules/nf-core/modules/eido/validate/main.nf |  1 +
 .../nf-core/modules/eido/validate/meta.yml    |  3 +++
 nextflow.config                               |  1 -
 nextflow_schema.json                          |  9 ++------
 workflows/taxprofiler.nf                      | 21 +++++++++----------
 12 files changed, 34 insertions(+), 32 deletions(-)

diff --git a/README.md b/README.md
index 6f64c5a..d1e6f33 100644
--- a/README.md
+++ b/README.md
@@ -73,7 +73,7 @@ On release, automated continuous integration tests run the pipeline on a full-si
    nextflow run nf-core/taxprofiler --input samplesheet.csv --databases database.csv --outdir <OUTDIR> --run_<TOOL1> --run_<TOOL1> -profile <docker/singularity/podman/shifter/charliecloud/conda/institute>
    ```
 
-  Note pipeline supports both CSV and PEP input sample sheets. Find out more [here](http://pep.databio.org/en/2.1.0/specification/).
+Note pipeline supports both CSV and PEP input sample sheets. Find out more [here](http://pep.databio.org/en/2.1.0/specification/).
 
 ## Documentation
 
diff --git a/conf/modules.config b/conf/modules.config
index e367a67..0efd251 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -421,4 +421,12 @@ process {
             saveAs: { filename -> filename.equals('versions.yml') ? null : filename }
         ]
     }
+
+    withName: 'EIDO_VALIDATE' {
+        ext.args = '--st-index sample'
+    }
+
+    withName: 'EIDO_CONVERT' {
+        ext.args = '--st-index sample'
+    }
 }
diff --git a/conf/test_pep.config b/conf/test_pep.config
index e3428fd..7f8c95d 100644
--- a/conf/test_pep.config
+++ b/conf/test_pep.config
@@ -8,8 +8,7 @@ params {
     max_time   = '6.h'
 
     // Input data
-    input                                 = null
-    pep                                   = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/delete_me/pep/test_pep_format_files/config.yaml'
+    input                                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/delete_me/pep/test_pep_format_files/config.yaml'
     databases                             = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
     perform_shortread_qc                  = true
     perform_longread_qc                   = true
@@ -41,10 +40,4 @@ process {
     withName: MEGAN_RMA2INFO {
         maxForks = 1
     }
-    withName: 'EIDO_VALIDATE' {
-        ext.args = '--st-index sample'
-    }
-    withName: 'EIDO_CONVERT' {
-        ext.args = '--st-index sample'
-    }
 }
diff --git a/lib/WorkflowMain.groovy b/lib/WorkflowMain.groovy
index b9dd514..7883d70 100755
--- a/lib/WorkflowMain.groovy
+++ b/lib/WorkflowMain.groovy
@@ -74,8 +74,8 @@ class WorkflowMain {
         NfcoreTemplate.awsBatch(workflow, params)
 
         // Check input has been provided
-        if (!params.input && !params.pep) {
-            log.error "Please provide an input samplesheet to the pipeline e.g. '--input samplesheet.csv'"
+        if (!params.input) {
+            log.error "Please provide an input samplesheet or PEP to the pipeline e.g. '--input samplesheet.csv'"
             System.exit(1)
         }
     }
diff --git a/modules.json b/modules.json
index feed11f..d24c7e2 100644
--- a/modules.json
+++ b/modules.json
@@ -43,11 +43,11 @@
                 },
                 "eido/convert": {
                     "branch": "master",
-                    "git_sha": "c9b29c76869d9713130a13a418c1e8b5aecfb80d"
+                    "git_sha": "9764eef361ded86e9242075bda64c2662421386a"
                 },
                 "eido/validate": {
                     "branch": "master",
-                    "git_sha": "8c0127e071711cb0a2648a6bdf881637a9d7eadc"
+                    "git_sha": "38383cfaefc06cd35e25de99989a3e6ab9ed2980"
                 },
                 "fastp": {
                     "branch": "master",
diff --git a/modules/nf-core/modules/eido/convert/main.nf b/modules/nf-core/modules/eido/convert/main.nf
index 40cd57a..be4c02f 100644
--- a/modules/nf-core/modules/eido/convert/main.nf
+++ b/modules/nf-core/modules/eido/convert/main.nf
@@ -10,6 +10,7 @@ process EIDO_CONVERT {
     input:
     path samplesheet
     val format
+    path pep_input_base_dir
 
     output:
     path "versions.yml"           , emit: versions
diff --git a/modules/nf-core/modules/eido/convert/meta.yml b/modules/nf-core/modules/eido/convert/meta.yml
index 0cf354a..bd12e03 100644
--- a/modules/nf-core/modules/eido/convert/meta.yml
+++ b/modules/nf-core/modules/eido/convert/meta.yml
@@ -22,6 +22,9 @@ input:
   - format:
       type: value
       description: Extension of an output file
+  - pep_input_base_dir:
+      type: file
+      description: Optional path to the directory where files specified in a PEP config file are stored. Any paths specified in the config will need to be relative to this base directory.
 
 output:
   - versions:
diff --git a/modules/nf-core/modules/eido/validate/main.nf b/modules/nf-core/modules/eido/validate/main.nf
index bc6a111..e564e83 100644
--- a/modules/nf-core/modules/eido/validate/main.nf
+++ b/modules/nf-core/modules/eido/validate/main.nf
@@ -10,6 +10,7 @@ process EIDO_VALIDATE {
     input:
     path samplesheet
     path schema
+    path pep_input_base_dir
 
     output:
     path "versions.yml"  , emit: versions
diff --git a/modules/nf-core/modules/eido/validate/meta.yml b/modules/nf-core/modules/eido/validate/meta.yml
index 962f59e..eb7b295 100644
--- a/modules/nf-core/modules/eido/validate/meta.yml
+++ b/modules/nf-core/modules/eido/validate/meta.yml
@@ -23,6 +23,9 @@ input:
       type: file
       description: Schema that the samplesheet will be validated against
       pattern: "*.{yaml,yml}"
+  - pep_input_base_dir:
+      type: file
+      description: Optional path to the directory where files specified in a PEP config file are stored. Any paths specified in the config will need to be relative to this base directory.
 
 output:
   - versions:
diff --git a/nextflow.config b/nextflow.config
index f3c7756..9d03211 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -12,7 +12,6 @@ params {
     // TODO nf-core: Specify your pipeline's command line flags
     // Input options
     input                      = null
-    pep                        = null
 
 
     // References
diff --git a/nextflow_schema.json b/nextflow_schema.json
index e8690f2..ffe8313 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,18 +10,13 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["outdir", "databases"],
+            "required": ["outdir", "databases", "input"],
             "properties": {
-                "pep": {
-                    "type": "string",
-                    "format": "file-path",
-                    "pattern": "^\\S+\\.yaml$"
-                },
                 "input": {
                     "type": "string",
                     "format": "file-path",
                     "mimetype": "text/csv",
-                    "pattern": "^\\S+\\.csv$",
+                    "pattern": "^\\S+\\.(csv|yaml)$",
                     "schema": "assets/schema_input.json",
                     "description": "Path to comma-separated file containing information about the samples and libraries/runs.",
                     "help_text": "You will need to create a design file with information about the samples and libraries/runs you want to running in your pipeline run. Use this parameter to specify its location. It has to be a comma-separated file with 6 columns, and a header row. See [usage docs](https://nf-co.re/taxprofiler/usage#samplesheet-input).",
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 76cc83c..b88b286 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -17,23 +17,22 @@ def checkPathParamList = [ params.input, params.databases, params.hostremoval_re
 for (param in checkPathParamList) { if (param) { file(param, checkIfExists: true) } }
 
 // Check mandatory parameters
-if (params.input) {
-    ch_input = file(params.input)
-    ch_pep_input_base_dir = []
+if ( params.input.endsWith(".yaml") ) {
 
-} else if (params.pep) {
-
-    if ( params.pep.startsWith("http://") || params.pep.startsWith("https://") ) {
-        ch_input = file(params.pep)
+    if ( params.input.startsWith("http://") || params.input.startsWith("https://") ) {
+        ch_input = file(params.input)
         ch_pep_input_base_dir = []
     }
-
     else {
-        ch_input = file(params.pep)
-        ch_pep_input_base_dir = new File(params.pep).getParent()
+        ch_input = file(params.input)
+        ch_pep_input_base_dir = new File(params.input).getParent()
     }
 
-}  else {
+} else if ( params.input.endsWith(".csv") ) {
+    ch_input = file(params.input)
+    ch_pep_input_base_dir = []
+
+} else {
     exit 1, 'Input samplesheet or PEP config not specified!'
 }
 

From e84b64f7e1c96a2bc9d867616a03aa60a4717a60 Mon Sep 17 00:00:00 2001
From: Rafal Stepien <43926522+rafalstepien@users.noreply.github.com>
Date: Mon, 19 Sep 2022 09:49:20 -0400
Subject: [PATCH 364/789] Update modules/local/samplesheet_check.nf

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 modules/local/samplesheet_check.nf | 4 +++-
 1 file changed, 3 insertions(+), 1 deletion(-)

diff --git a/modules/local/samplesheet_check.nf b/modules/local/samplesheet_check.nf
index f048351..91e0f04 100644
--- a/modules/local/samplesheet_check.nf
+++ b/modules/local/samplesheet_check.nf
@@ -15,7 +15,9 @@ process SAMPLESHEET_CHECK {
 
     script: // detect_reads.py script is bundled with the pipeline, in nf-core/taxprofiler/bin/
     """
-    python3 $projectDir/bin/detect_reads.py $samplesheet samplesheet_validated.csv
+    python3 $projectDir/bin/detect_reads.py \\
+        $samplesheet \\
+        samplesheet_validated.csv
 
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":

From 5b6c18f0a2c7ec6de1982886518893e95bc8b089 Mon Sep 17 00:00:00 2001
From: Rafal Stepien <43926522+rafalstepien@users.noreply.github.com>
Date: Mon, 19 Sep 2022 09:49:28 -0400
Subject: [PATCH 365/789] Update nextflow.config

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 nextflow.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/nextflow.config b/nextflow.config
index 9d03211..80fce40 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -227,7 +227,7 @@ profiles {
     test_nopreprocessing    { includeConfig 'conf/test_nopreprocessing.config' }
     test_nothing            { includeConfig 'conf/test_nothing.config' }
     test_motus              { includeConfig 'conf/test_motus.config' }
-    test_pep { includeConfig 'conf/test_pep.config' }
+    test_pep                { includeConfig 'conf/test_pep.config' }
 }
 
 

From 0ccbf5093842a9e30aeaeb5156a89af7b3917f1b Mon Sep 17 00:00:00 2001
From: Rafal Stepien <43926522+rafalstepien@users.noreply.github.com>
Date: Mon, 19 Sep 2022 09:49:37 -0400
Subject: [PATCH 366/789] Update nextflow_schema.json

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 nextflow_schema.json | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index ffe8313..d5309ed 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,7 +10,7 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["outdir", "databases", "input"],
+            "required": [ "input", "outdir", "databases"],
             "properties": {
                 "input": {
                     "type": "string",

From 1584d6fc517a34acf19bfd29352b0645480f95a7 Mon Sep 17 00:00:00 2001
From: Rafal Stepien <43926522+rafalstepien@users.noreply.github.com>
Date: Mon, 19 Sep 2022 09:51:25 -0400
Subject: [PATCH 367/789] Update workflows/taxprofiler.nf

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 nextflow_schema.json              |  4 ++--
 subworkflows/local/input_check.nf |  6 +++---
 workflows/taxprofiler.nf          | 22 +++++-----------------
 3 files changed, 10 insertions(+), 22 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index d5309ed..4a9237d 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,13 +10,13 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": [ "input", "outdir", "databases"],
+            "required": ["input", "outdir", "databases"],
             "properties": {
                 "input": {
                     "type": "string",
                     "format": "file-path",
                     "mimetype": "text/csv",
-                    "pattern": "^\\S+\\.(csv|yaml)$",
+                    "pattern": "^\\S+\\.(csv|yaml|yml)$",
                     "schema": "assets/schema_input.json",
                     "description": "Path to comma-separated file containing information about the samples and libraries/runs.",
                     "help_text": "You will need to create a design file with information about the samples and libraries/runs you want to running in your pipeline run. Use this parameter to specify its location. It has to be a comma-separated file with 6 columns, and a header row. See [usage docs](https://nf-co.re/taxprofiler/usage#samplesheet-input).",
diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index 0a07538..447eb15 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -9,11 +9,11 @@ include { EIDO_CONVERT } from '../../modules/nf-core/modules/eido/convert/main'
 workflow INPUT_CHECK {
     take:
     samplesheet_or_pep_config // file: /path/to/samplesheet.csv or /path/to/pep/config.yaml
-    ch_pep_input_base_dir
+    pep_input_base_dir
 
     main:
-    EIDO_VALIDATE ( samplesheet_or_pep_config, file("$projectDir/assets/samplesheet_schema.yaml"), ch_pep_input_base_dir )
-    converted_samplesheet = EIDO_CONVERT ( samplesheet_or_pep_config, "csv", ch_pep_input_base_dir )
+    EIDO_VALIDATE ( samplesheet_or_pep_config, file("$projectDir/assets/samplesheet_schema.yaml"), pep_input_base_dir )
+    converted_samplesheet = EIDO_CONVERT ( samplesheet_or_pep_config, "csv", pep_input_base_dir )
     parsed_samplesheet = SAMPLESHEET_CHECK ( converted_samplesheet.samplesheet_converted )
         .csv
         .splitCsv ( header:true, sep:',' )
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index b88b286..6f7becf 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -17,23 +17,11 @@ def checkPathParamList = [ params.input, params.databases, params.hostremoval_re
 for (param in checkPathParamList) { if (param) { file(param, checkIfExists: true) } }
 
 // Check mandatory parameters
-if ( params.input.endsWith(".yaml") ) {
-
-    if ( params.input.startsWith("http://") || params.input.startsWith("https://") ) {
-        ch_input = file(params.input)
-        ch_pep_input_base_dir = []
-    }
-    else {
-        ch_input = file(params.input)
-        ch_pep_input_base_dir = new File(params.input).getParent()
-    }
-
-} else if ( params.input.endsWith(".csv") ) {
-    ch_input = file(params.input)
-    ch_pep_input_base_dir = []
-
+if ( params.input ) {
+    ch_input              = file(params.input, checkIfExists: true)
+    pep_input_base_dir    = file(params.input).extension.matches("yaml|yml") ? file(file(params.input).getParent(), checkIfExists: true) :  []
 } else {
-    exit 1, 'Input samplesheet or PEP config not specified!'
+    exit 1, "Input samplesheet, or PEP config and base directory not specified"
 }
 
 if (params.databases) { ch_databases = file(params.databases) } else { exit 1, 'Input database sheet not specified!' }
@@ -116,7 +104,7 @@ workflow TAXPROFILER {
         SUBWORKFLOW: Read in samplesheet, validate and stage input files
     */
     INPUT_CHECK (
-        ch_input, ch_pep_input_base_dir
+        ch_input, pep_input_base_dir
     )
     ch_versions = ch_versions.mix(INPUT_CHECK.out.versions)
 

From 43a8aa4405e67e0616d63f71ef217ecb7b2e350b Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 27 Sep 2022 15:32:51 +0200
Subject: [PATCH 368/789] Remove detect_reads.py and replace remaining checks
 with nextflow code instead

---
 assets/samplesheet_schema.yaml     |   2 +
 bin/detect_reads.py                | 125 -----------------------------
 conf/modules.config                |   8 --
 modules/local/samplesheet_check.nf |  27 -------
 subworkflows/local/input_check.nf  |  34 +++++---
 5 files changed, 27 insertions(+), 169 deletions(-)
 delete mode 100644 bin/detect_reads.py
 delete mode 100644 modules/local/samplesheet_check.nf

diff --git a/assets/samplesheet_schema.yaml b/assets/samplesheet_schema.yaml
index 88ff451..366ee93 100644
--- a/assets/samplesheet_schema.yaml
+++ b/assets/samplesheet_schema.yaml
@@ -53,3 +53,5 @@ properties:
         - fasta
 required:
   - samples
+  - run_accession
+  - instrument_platform
diff --git a/bin/detect_reads.py b/bin/detect_reads.py
deleted file mode 100644
index 8a1430e..0000000
--- a/bin/detect_reads.py
+++ /dev/null
@@ -1,125 +0,0 @@
-#!/usr/bin/env python
-
-import argparse
-import csv
-import sys
-from typing import List, NoReturn
-
-
-def parse_args(args=None) -> argparse.Namespace:
-    """
-    Reformatting is based on detecting whether the reads are paired or single end.
-    Script appends appropriate column to samplesheet.csv file.
-    """
-    Description = "Reformat nf-core/taxprofiler samplesheet file."
-    Epilog = "Example usage: python detect_reads.py <FILE_IN> <FILE_OUT>"
-
-    parser = argparse.ArgumentParser(description=Description, epilog=Epilog)
-    parser.add_argument("FILE_IN", help="Input samplesheet file.")
-    parser.add_argument("FILE_OUT", help="Output file.")
-    return parser.parse_args(args)
-
-
-class ReadsModifier:
-    def __init__(self):
-        self.headers = None
-        self.sample_index = None
-        self.fastq_1_index = None
-        self.fastq_2_index = None
-        self.fasta_index = None
-
-    def detect_reads_and_reformat(self, input_file_path: str, output_file_path: str) -> NoReturn:
-        NEW_COLUMN_NAME = "single_end"
-        new_file_rows = []
-
-        with open(input_file_path, "r") as input_file:
-            csv_reader = csv.reader(input_file, delimiter=",")
-            self.headers = next(csv_reader)
-            self.headers.append(NEW_COLUMN_NAME)
-
-            self._infer_column_indexes()
-
-            for samplesheet_row in csv_reader:
-
-                if self._is_paired_end_short_read(samplesheet_row):
-                    new_file_rows.append([*samplesheet_row, "0"])
-
-                elif self._is_single_end_short_long_read(samplesheet_row):
-                    new_file_rows.append([*samplesheet_row, "1"])
-
-                elif self._is_single_end_long_read(samplesheet_row):
-                    new_file_rows.append([*samplesheet_row, "1"])
-
-                elif self._is_error_row(samplesheet_row):
-                    self.print_error(
-                        "FastQ and FastA files cannot be specified together in the same library!",
-                        "Line",
-                        ",".join(samplesheet_row),
-                    )
-                else:
-                    self.print_error("Invalid combination of columns provided!", "Line", ",".join(samplesheet_row))
-
-        self.save_reformatted_samplesheet([self.headers] + new_file_rows, output_file_path)
-
-    def _get_row_values(self, samplesheet_row):
-        """
-        This method extracts data from the columns for given row of samplesheet table, based on
-        previously infered column indexes.
-        """
-        sample = samplesheet_row[self.sample_index]
-        fastq_1 = samplesheet_row[self.fastq_1_index] if self.fastq_1_index else None
-        fastq_2 = samplesheet_row[self.fastq_2_index] if self.fastq_2_index else None
-        fasta = samplesheet_row[self.fasta_index] if self.fasta_index else None
-        return sample, fastq_1, fastq_2, fasta
-
-    def _infer_column_indexes(self):
-        """
-        This method infers indexes of necessary columns from samplesheet table
-        """
-        self.sample_index = self.headers.index("sample")
-        self.fastq_1_index = self.headers.index("fastq_1") if "fastq_1" in self.headers else None
-        self.fastq_2_index = self.headers.index("fastq_2") if "fastq_2" in self.headers else None
-        self.fasta_index = self.headers.index("fasta") if "fasta" in self.headers else None
-
-    def _is_paired_end_short_read(self, samplesheet_row: List) -> bool:
-        sample, fastq_1, fastq_2, _ = self._get_row_values(samplesheet_row)
-        return sample and fastq_1 and fastq_2
-
-    def _is_single_end_short_long_read(self, samplesheet_row: List) -> bool:
-        sample, fastq_1, fastq_2, _ = self._get_row_values(samplesheet_row)
-        return sample and fastq_1 and not fastq_2
-
-    def _is_single_end_long_read(self, samplesheet_row: List) -> bool:
-        sample, fastq_1, fastq_2, fasta = self._get_row_values(samplesheet_row)
-        return sample and fasta and not fastq_1 and not fastq_2
-
-    def _is_error_row(self, samplesheet_row: List) -> bool:
-        sample, fastq_1, fastq_2, fasta = self._get_row_values(samplesheet_row)
-        return fasta and (fastq_1 or fastq_2)
-
-    @staticmethod
-    def print_error(error: str, context: str = "Line", context_str: str = ""):
-        error_str = "ERROR: Please check samplesheet -> {}".format(error)
-        if context != "" and context_str != "":
-            error_str = "ERROR: Please check samplesheet -> {}\n{}: '{}'".format(
-                error, context.strip(), context_str.strip()
-            )
-        print(error_str)
-        sys.exit(1)
-
-    @staticmethod
-    def save_reformatted_samplesheet(new_file_rows: List[List], output_file_path: str) -> NoReturn:
-        """
-        Write new samplesheet.
-        """
-        with open(output_file_path, "w") as output_file:
-            csv.writer(output_file).writerows(new_file_rows)
-
-
-def main(args=None):
-    args = parse_args(args)
-    ReadsModifier().detect_reads_and_reformat(args.FILE_IN, args.FILE_OUT)
-
-
-if __name__ == "__main__":
-    sys.exit(main())
diff --git a/conf/modules.config b/conf/modules.config
index 0efd251..73cc042 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -12,14 +12,6 @@
 
 process {
 
-    withName: SAMPLESHEET_CHECK {
-        publishDir = [
-            path: { "${params.outdir}/pipeline_info" },
-            mode: params.publish_dir_mode,
-            saveAs: { filename -> filename.equals('versions.yml') ? null : filename }
-        ]
-    }
-
     withName: DATABASE_CHECK {
         publishDir = [
             path: { "${params.outdir}/pipeline_info" },
diff --git a/modules/local/samplesheet_check.nf b/modules/local/samplesheet_check.nf
deleted file mode 100644
index 91e0f04..0000000
--- a/modules/local/samplesheet_check.nf
+++ /dev/null
@@ -1,27 +0,0 @@
-process SAMPLESHEET_CHECK {
-    tag "$samplesheet"
-
-    conda (params.enable_conda ? "conda-forge::python=3.8.3" : null)
-    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/python:3.8.3' :
-        'quay.io/biocontainers/python:3.8.3' }"
-
-    input:
-    path samplesheet
-
-    output:
-    path '*.csv'       , emit: csv
-    path "versions.yml", emit: versions
-
-    script: // detect_reads.py script is bundled with the pipeline, in nf-core/taxprofiler/bin/
-    """
-    python3 $projectDir/bin/detect_reads.py \\
-        $samplesheet \\
-        samplesheet_validated.csv
-
-    cat <<-END_VERSIONS > versions.yml
-    "${task.process}":
-        python: \$(python --version | sed 's/Python //g')
-    END_VERSIONS
-    """
-}
diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index 447eb15..d54d2ad 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -2,7 +2,6 @@
 // Check input samplesheet and get read channels
 //
 
-include { SAMPLESHEET_CHECK } from '../../modules/local/samplesheet_check'
 include { EIDO_VALIDATE } from '../../modules/nf-core/modules/eido/validate/main'
 include { EIDO_CONVERT } from '../../modules/nf-core/modules/eido/convert/main'
 
@@ -12,26 +11,43 @@ workflow INPUT_CHECK {
     pep_input_base_dir
 
     main:
+    ch_versions = Channel.empty()
+
     EIDO_VALIDATE ( samplesheet_or_pep_config, file("$projectDir/assets/samplesheet_schema.yaml"), pep_input_base_dir )
-    converted_samplesheet = EIDO_CONVERT ( samplesheet_or_pep_config, "csv", pep_input_base_dir )
-    parsed_samplesheet = SAMPLESHEET_CHECK ( converted_samplesheet.samplesheet_converted )
-        .csv
+    ch_versions = ch_versions.mix(EIDO_VALIDATE.out.versions)
+
+    EIDO_CONVERT ( samplesheet_or_pep_config, "csv", pep_input_base_dir )
+    ch_versions = ch_versions.mix(EIDO_CONVERT.out.versions)
+
+    ch_parsed_samplesheet = EIDO_CONVERT.out.samplesheet_converted
         .splitCsv ( header:true, sep:',' )
+        .map{
+
+            // Checks not supported by EIDO(?)
+            if ( ( it['fastq_1'] != "" || it['fastq_2'] != "" ) && it['fasta'] != "" ) { exit 1, "[nf-core/taxprofiler] ERROR: FastQ and FastA files cannot be specified together in the same library. Check input samplesheet! Check sample: ${it['sample']}" }
+            if ( it['fastq_1'] == "" && it['fastq_2'] != "" )                          { exit 1, "[nf-core/taxprofiler] ERROR: Input samplesheet has a missing fastq_1 when fastq_2 is specified. Check sample: ${it['sample']}" }
+
+            single_end = it['fastq_2'] == "" ? true : false
+            it['single_end'] = single_end
+
+            [ it ]
+        }
+        .flatten()
         .branch {
             fasta: it['fasta'] != ''
             nanopore: it['instrument_platform'] == 'OXFORD_NANOPORE'
             fastq: true
         }
 
-    parsed_samplesheet.fastq
+    ch_parsed_samplesheet.fastq
         .map { create_fastq_channel(it) }
         .set { fastq }
 
-    parsed_samplesheet.nanopore
+    ch_parsed_samplesheet.nanopore
         .map { create_fastq_channel(it) }
         .set { nanopore }
 
-    parsed_samplesheet.fasta
+    ch_parsed_samplesheet.fasta
         .map { create_fasta_channel(it) }
         .set { fasta }
 
@@ -39,7 +55,7 @@ workflow INPUT_CHECK {
     fastq = fastq ?: []                       // channel: [ val(meta), [ reads ] ]
     nanopore = nanopore ?: []                 // channel: [ val(meta), [ reads ] ]
     fasta = fasta ?: []                       // channel: [ val(meta), fasta ]
-    versions = SAMPLESHEET_CHECK.out.versions // channel: [ versions.yml ]
+    versions = ch_versions                    // channel: [ versions.yml ]
 }
 
 // Function to get list of [ meta, [ fastq_1, fastq_2 ] ]
@@ -69,7 +85,7 @@ def create_fastq_channel(LinkedHashMap row) {
             if (!file(row.fastq_2).exists()) {
                 exit 1, "ERROR: Please check input samplesheet -> Read 2 FastQ file does not exist!\n${row.fastq_2}"
             }
-         fastq_meta = [ meta, [ file(row.fastq_1), file(row.fastq_2) ] ]
+            fastq_meta = [ meta, [ file(row.fastq_1), file(row.fastq_2) ] ]
         }
 
     }

From 87edc4569cef3290531ac0dbe56b1c407de26381 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 27 Sep 2022 15:46:17 +0200
Subject: [PATCH 369/789] Move to a function

---
 subworkflows/local/input_check.nf | 27 +++++++++++++++------------
 1 file changed, 15 insertions(+), 12 deletions(-)

diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index d54d2ad..e8d5e7a 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -21,18 +21,7 @@ workflow INPUT_CHECK {
 
     ch_parsed_samplesheet = EIDO_CONVERT.out.samplesheet_converted
         .splitCsv ( header:true, sep:',' )
-        .map{
-
-            // Checks not supported by EIDO(?)
-            if ( ( it['fastq_1'] != "" || it['fastq_2'] != "" ) && it['fasta'] != "" ) { exit 1, "[nf-core/taxprofiler] ERROR: FastQ and FastA files cannot be specified together in the same library. Check input samplesheet! Check sample: ${it['sample']}" }
-            if ( it['fastq_1'] == "" && it['fastq_2'] != "" )                          { exit 1, "[nf-core/taxprofiler] ERROR: Input samplesheet has a missing fastq_1 when fastq_2 is specified. Check sample: ${it['sample']}" }
-
-            single_end = it['fastq_2'] == "" ? true : false
-            it['single_end'] = single_end
-
-            [ it ]
-        }
-        .flatten()
+        .map { check_missing_and_singleend_autodetect(it) }
         .branch {
             fasta: it['fasta'] != ''
             nanopore: it['instrument_platform'] == 'OXFORD_NANOPORE'
@@ -58,6 +47,19 @@ workflow INPUT_CHECK {
     versions = ch_versions                    // channel: [ versions.yml ]
 }
 
+// Function to validate input sheet and auto-detect R1/R2
+def check_missing_and_singleend_autodetect(LinkedHashMap row) {
+
+            // Checks not supported by EIDO(?)
+            if ( ( row['fastq_1'] != "" || row['fastq_2'] != "" ) && row['fasta'] != "" ) { exit 1, "[nf-core/taxprofiler] ERROR: FastQ and FastA files cannot be specified together in the same library. Check input samplesheet! Check sample: ${row['sample']}" }
+            if ( row['fastq_1'] == "" && row['fastq_2'] != "" )                            { exit 1, "[nf-core/taxprofiler] ERROR: Input samplesheet has a missing fastq_1 when fastq_2 is specified. Check sample: ${row['sample']}" }
+
+            single_end = row['fastq_2'] == "" ? true : false
+            row['single_end'] = single_end
+
+            return row
+}
+
 // Function to get list of [ meta, [ fastq_1, fastq_2 ] ]
 def create_fastq_channel(LinkedHashMap row) {
     // create meta map
@@ -90,6 +92,7 @@ def create_fastq_channel(LinkedHashMap row) {
 
     }
     return fastq_meta
+
 }// Function to get list of [ meta, fasta ]
 def create_fasta_channel(LinkedHashMap row) {
     def meta = [:]

From bfd260e9c8580043a9cefbf6530e32633436eff1 Mon Sep 17 00:00:00 2001
From: Rafal Stepien <43926522+rafalstepien@users.noreply.github.com>
Date: Mon, 19 Sep 2022 09:51:25 -0400
Subject: [PATCH 370/789] Update workflows/taxprofiler.nf

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 bin/detect_reads.py               | 102 ++++++++++++++----------------
 nextflow_schema.json              |   4 +-
 subworkflows/local/input_check.nf |   6 +-
 workflows/taxprofiler.nf          |  22 ++-----
 4 files changed, 57 insertions(+), 77 deletions(-)

diff --git a/bin/detect_reads.py b/bin/detect_reads.py
index 8a1430e..14f6a07 100644
--- a/bin/detect_reads.py
+++ b/bin/detect_reads.py
@@ -1,20 +1,29 @@
 #!/usr/bin/env python
-
 import argparse
 import csv
+import logging
 import sys
-from typing import List, NoReturn
+from enum import Enum
+from typing import List, NoReturn, Optional
+
+
+class ColumnNames(str, Enum):
+    SAMPLE = "sample"
+    FASTQ_1 = "fastq_1"
+    FASTQ_2 = "fastq_2"
+    FASTA = "fasta"
+    SINGLE_END = "single_end"
 
 
-def parse_args(args=None) -> argparse.Namespace:
+def parse_args(args: Optional[List[str]] = None) -> argparse.Namespace:
     """
     Reformatting is based on detecting whether the reads are paired or single end.
     Script appends appropriate column to samplesheet.csv file.
     """
-    Description = "Reformat nf-core/taxprofiler samplesheet file."
-    Epilog = "Example usage: python detect_reads.py <FILE_IN> <FILE_OUT>"
-
-    parser = argparse.ArgumentParser(description=Description, epilog=Epilog)
+    parser = argparse.ArgumentParser(
+        description="Reformat nf-core/taxprofiler samplesheet file.",
+        epilog="Example usage: python detect_reads.py <FILE_IN> <FILE_OUT>",
+    )
     parser.add_argument("FILE_IN", help="Input samplesheet file.")
     parser.add_argument("FILE_OUT", help="Output file.")
     return parser.parse_args(args)
@@ -29,86 +38,69 @@ class ReadsModifier:
         self.fasta_index = None
 
     def detect_reads_and_reformat(self, input_file_path: str, output_file_path: str) -> NoReturn:
-        NEW_COLUMN_NAME = "single_end"
         new_file_rows = []
 
-        with open(input_file_path, "r") as input_file:
-            csv_reader = csv.reader(input_file, delimiter=",")
-            self.headers = next(csv_reader)
-            self.headers.append(NEW_COLUMN_NAME)
-
-            self._infer_column_indexes()
+        with open(input_file_path, "r", newline="") as input_file:
+            csv_reader = csv.DictReader(input_file, delimiter=",")
+            self.headers = csv_reader.fieldnames
+            self.headers.append("single_end")
 
             for samplesheet_row in csv_reader:
 
                 if self._is_paired_end_short_read(samplesheet_row):
-                    new_file_rows.append([*samplesheet_row, "0"])
+                    samplesheet_row[ColumnNames.SINGLE_END] = "0"
+                    new_file_rows.append(samplesheet_row.values())
 
                 elif self._is_single_end_short_long_read(samplesheet_row):
-                    new_file_rows.append([*samplesheet_row, "1"])
+                    samplesheet_row[ColumnNames.SINGLE_END] = "1"
+                    new_file_rows.append(samplesheet_row.values())
 
                 elif self._is_single_end_long_read(samplesheet_row):
-                    new_file_rows.append([*samplesheet_row, "1"])
+                    samplesheet_row[ColumnNames.SINGLE_END] = "1"
+                    new_file_rows.append(samplesheet_row.values())
 
                 elif self._is_error_row(samplesheet_row):
-                    self.print_error(
+                    logging.error(
                         "FastQ and FastA files cannot be specified together in the same library!",
                         "Line",
-                        ",".join(samplesheet_row),
+                        ",".join(samplesheet_row.values()),
                     )
                 else:
-                    self.print_error("Invalid combination of columns provided!", "Line", ",".join(samplesheet_row))
+                    logging.error(
+                        "Invalid combination of columns provided!", "Line", ",".join(samplesheet_row.values())
+                    )
 
-        self.save_reformatted_samplesheet([self.headers] + new_file_rows, output_file_path)
+        ReadsModifier.save_reformatted_samplesheet([self.headers] + new_file_rows, output_file_path)
 
-    def _get_row_values(self, samplesheet_row):
-        """
-        This method extracts data from the columns for given row of samplesheet table, based on
-        previously infered column indexes.
+    def _get_row_values(self, samplesheet_row: dict):
         """
-        sample = samplesheet_row[self.sample_index]
-        fastq_1 = samplesheet_row[self.fastq_1_index] if self.fastq_1_index else None
-        fastq_2 = samplesheet_row[self.fastq_2_index] if self.fastq_2_index else None
-        fasta = samplesheet_row[self.fasta_index] if self.fasta_index else None
-        return sample, fastq_1, fastq_2, fasta
-
-    def _infer_column_indexes(self):
+        This method extracts data from the columns for given row of samplesheet table.
         """
-        This method infers indexes of necessary columns from samplesheet table
-        """
-        self.sample_index = self.headers.index("sample")
-        self.fastq_1_index = self.headers.index("fastq_1") if "fastq_1" in self.headers else None
-        self.fastq_2_index = self.headers.index("fastq_2") if "fastq_2" in self.headers else None
-        self.fasta_index = self.headers.index("fasta") if "fasta" in self.headers else None
-
-    def _is_paired_end_short_read(self, samplesheet_row: List) -> bool:
+        return (
+            samplesheet_row.get(ColumnNames.SAMPLE),
+            samplesheet_row.get(ColumnNames.FASTQ_1),
+            samplesheet_row.get(ColumnNames.FASTQ_2),
+            samplesheet_row.get(ColumnNames.FASTA),
+        )
+
+    def _is_paired_end_short_read(self, samplesheet_row: dict) -> bool:
         sample, fastq_1, fastq_2, _ = self._get_row_values(samplesheet_row)
         return sample and fastq_1 and fastq_2
 
-    def _is_single_end_short_long_read(self, samplesheet_row: List) -> bool:
+    def _is_single_end_short_long_read(self, samplesheet_row: dict) -> bool:
         sample, fastq_1, fastq_2, _ = self._get_row_values(samplesheet_row)
         return sample and fastq_1 and not fastq_2
 
-    def _is_single_end_long_read(self, samplesheet_row: List) -> bool:
+    def _is_single_end_long_read(self, samplesheet_row: dict) -> bool:
         sample, fastq_1, fastq_2, fasta = self._get_row_values(samplesheet_row)
         return sample and fasta and not fastq_1 and not fastq_2
 
-    def _is_error_row(self, samplesheet_row: List) -> bool:
+    def _is_error_row(self, samplesheet_row: dict) -> bool:
         sample, fastq_1, fastq_2, fasta = self._get_row_values(samplesheet_row)
         return fasta and (fastq_1 or fastq_2)
 
-    @staticmethod
-    def print_error(error: str, context: str = "Line", context_str: str = ""):
-        error_str = "ERROR: Please check samplesheet -> {}".format(error)
-        if context != "" and context_str != "":
-            error_str = "ERROR: Please check samplesheet -> {}\n{}: '{}'".format(
-                error, context.strip(), context_str.strip()
-            )
-        print(error_str)
-        sys.exit(1)
-
-    @staticmethod
-    def save_reformatted_samplesheet(new_file_rows: List[List], output_file_path: str) -> NoReturn:
+    @classmethod
+    def save_reformatted_samplesheet(cls, new_file_rows: List[List], output_file_path: str) -> NoReturn:
         """
         Write new samplesheet.
         """
diff --git a/nextflow_schema.json b/nextflow_schema.json
index d5309ed..4a9237d 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,13 +10,13 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": [ "input", "outdir", "databases"],
+            "required": ["input", "outdir", "databases"],
             "properties": {
                 "input": {
                     "type": "string",
                     "format": "file-path",
                     "mimetype": "text/csv",
-                    "pattern": "^\\S+\\.(csv|yaml)$",
+                    "pattern": "^\\S+\\.(csv|yaml|yml)$",
                     "schema": "assets/schema_input.json",
                     "description": "Path to comma-separated file containing information about the samples and libraries/runs.",
                     "help_text": "You will need to create a design file with information about the samples and libraries/runs you want to running in your pipeline run. Use this parameter to specify its location. It has to be a comma-separated file with 6 columns, and a header row. See [usage docs](https://nf-co.re/taxprofiler/usage#samplesheet-input).",
diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index 0a07538..447eb15 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -9,11 +9,11 @@ include { EIDO_CONVERT } from '../../modules/nf-core/modules/eido/convert/main'
 workflow INPUT_CHECK {
     take:
     samplesheet_or_pep_config // file: /path/to/samplesheet.csv or /path/to/pep/config.yaml
-    ch_pep_input_base_dir
+    pep_input_base_dir
 
     main:
-    EIDO_VALIDATE ( samplesheet_or_pep_config, file("$projectDir/assets/samplesheet_schema.yaml"), ch_pep_input_base_dir )
-    converted_samplesheet = EIDO_CONVERT ( samplesheet_or_pep_config, "csv", ch_pep_input_base_dir )
+    EIDO_VALIDATE ( samplesheet_or_pep_config, file("$projectDir/assets/samplesheet_schema.yaml"), pep_input_base_dir )
+    converted_samplesheet = EIDO_CONVERT ( samplesheet_or_pep_config, "csv", pep_input_base_dir )
     parsed_samplesheet = SAMPLESHEET_CHECK ( converted_samplesheet.samplesheet_converted )
         .csv
         .splitCsv ( header:true, sep:',' )
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index b88b286..6f7becf 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -17,23 +17,11 @@ def checkPathParamList = [ params.input, params.databases, params.hostremoval_re
 for (param in checkPathParamList) { if (param) { file(param, checkIfExists: true) } }
 
 // Check mandatory parameters
-if ( params.input.endsWith(".yaml") ) {
-
-    if ( params.input.startsWith("http://") || params.input.startsWith("https://") ) {
-        ch_input = file(params.input)
-        ch_pep_input_base_dir = []
-    }
-    else {
-        ch_input = file(params.input)
-        ch_pep_input_base_dir = new File(params.input).getParent()
-    }
-
-} else if ( params.input.endsWith(".csv") ) {
-    ch_input = file(params.input)
-    ch_pep_input_base_dir = []
-
+if ( params.input ) {
+    ch_input              = file(params.input, checkIfExists: true)
+    pep_input_base_dir    = file(params.input).extension.matches("yaml|yml") ? file(file(params.input).getParent(), checkIfExists: true) :  []
 } else {
-    exit 1, 'Input samplesheet or PEP config not specified!'
+    exit 1, "Input samplesheet, or PEP config and base directory not specified"
 }
 
 if (params.databases) { ch_databases = file(params.databases) } else { exit 1, 'Input database sheet not specified!' }
@@ -116,7 +104,7 @@ workflow TAXPROFILER {
         SUBWORKFLOW: Read in samplesheet, validate and stage input files
     */
     INPUT_CHECK (
-        ch_input, ch_pep_input_base_dir
+        ch_input, pep_input_base_dir
     )
     ch_versions = ch_versions.mix(INPUT_CHECK.out.versions)
 

From 8b559fba8661c84e4aeff0eb7770766d52a5f61b Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Thu, 29 Sep 2022 14:36:53 +0200
Subject: [PATCH 371/789] Pin version to get NXF to download correctly

---
 .github/workflows/ci.yml       | 4 ++--
 assets/samplesheet_schema.yaml | 2 --
 2 files changed, 2 insertions(+), 4 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 5cea5b7..726c407 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -20,7 +20,7 @@ jobs:
     strategy:
       matrix:
         NXF_VER:
-          - "21.10.3"
+          - "21.10.6" ## TODO temporarily pinning later version that does work
           - "latest-everything"
         parameters:
           - "--perform_longread_qc false"
@@ -67,7 +67,7 @@ jobs:
     strategy:
       matrix:
         NXF_VER:
-          - "21.10.3"
+          - "21.10.6" ## TODO temporarily pinning later version that does work
           - "latest-everything"
 
     steps:
diff --git a/assets/samplesheet_schema.yaml b/assets/samplesheet_schema.yaml
index 366ee93..88ff451 100644
--- a/assets/samplesheet_schema.yaml
+++ b/assets/samplesheet_schema.yaml
@@ -53,5 +53,3 @@ properties:
         - fasta
 required:
   - samples
-  - run_accession
-  - instrument_platform

From 44146b8fe32b7d0bc0206da7dab8e2cb34ab3c84 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Fri, 30 Sep 2022 08:34:53 +0200
Subject: [PATCH 372/789] Apply suggestions from code review

---
 .github/workflows/ci.yml | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 726c407..5cea5b7 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -20,7 +20,7 @@ jobs:
     strategy:
       matrix:
         NXF_VER:
-          - "21.10.6" ## TODO temporarily pinning later version that does work
+          - "21.10.3"
           - "latest-everything"
         parameters:
           - "--perform_longread_qc false"
@@ -67,7 +67,7 @@ jobs:
     strategy:
       matrix:
         NXF_VER:
-          - "21.10.6" ## TODO temporarily pinning later version that does work
+          - "21.10.3"
           - "latest-everything"
 
     steps:

From b407fbcdce27960e07e1f73233a8039d64574572 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Wed, 5 Oct 2022 12:24:18 +0200
Subject: [PATCH 373/789] chore: force update all modules

---
 modules/nf-core/cat/fastq/main.nf             | 10 +++----
 modules/nf-core/centrifuge/kreport/main.nf    |  2 +-
 .../templates/dumpsoftwareversions.py         | 11 +++----
 modules/nf-core/eido/convert/main.nf          |  2 +-
 modules/nf-core/eido/validate/main.nf         |  2 +-
 modules/nf-core/gunzip/main.nf                |  2 +-
 modules/nf-core/kaiju/kaiju2krona/main.nf     |  2 +-
 modules/nf-core/kaiju/kaiju2table/main.nf     |  2 +-
 .../krakentools/combinekreports/main.nf       |  2 +-
 .../nf-core/krakentools/kreport2krona/main.nf |  2 +-
 .../nf-core/krona/ktimporttaxonomy/main.nf    |  2 +-
 modules/nf-core/krona/ktimporttext/main.nf    |  2 +-
 modules/nf-core/megan/rma2info/main.nf        |  2 +-
 modules/nf-core/minimap2/index/main.nf        |  6 ++--
 modules/nf-core/minimap2/index/meta.yml       | 10 +++++++
 modules/nf-core/motus/merge/main.nf           |  2 +-
 modules/nf-core/samtools/view/main.nf         | 26 ++++++++++------
 modules/nf-core/samtools/view/meta.yml        | 30 ++++++++++++++++---
 modules/nf-core/untar/main.nf                 |  2 +-
 19 files changed, 80 insertions(+), 39 deletions(-)

diff --git a/modules/nf-core/cat/fastq/main.nf b/modules/nf-core/cat/fastq/main.nf
index d275f19..4fa365d 100644
--- a/modules/nf-core/cat/fastq/main.nf
+++ b/modules/nf-core/cat/fastq/main.nf
@@ -1,6 +1,6 @@
 process CAT_FASTQ {
     tag "$meta.id"
-    label 'process_low'
+    label 'process_single'
 
     conda (params.enable_conda ? "conda-forge::sed=4.7" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
@@ -20,9 +20,9 @@ process CAT_FASTQ {
     script:
     def args = task.ext.args ?: ''
     def prefix = task.ext.prefix ?: "${meta.id}"
-    def readList = reads.collect{ it.toString() }
+    def readList = reads instanceof List ? reads.collect{ it.toString() } : [reads.toString()]
     if (meta.single_end) {
-        if (readList.size > 1) {
+        if (readList.size >= 1) {
             """
             cat ${readList.join(' ')} > ${prefix}.merged.fastq.gz
 
@@ -33,7 +33,7 @@ process CAT_FASTQ {
             """
         }
     } else {
-        if (readList.size > 2) {
+        if (readList.size >= 2) {
             def read1 = []
             def read2 = []
             readList.eachWithIndex{ v, ix -> ( ix & 1 ? read2 : read1 ) << v }
@@ -51,7 +51,7 @@ process CAT_FASTQ {
 
     stub:
     def prefix = task.ext.prefix ?: "${meta.id}"
-    def readList = reads.collect{ it.toString() }
+    def readList = reads instanceof List ? reads.collect{ it.toString() } : [reads.toString()]
     if (meta.single_end) {
         if (readList.size > 1) {
             """
diff --git a/modules/nf-core/centrifuge/kreport/main.nf b/modules/nf-core/centrifuge/kreport/main.nf
index 381ddd6..8e5b741 100644
--- a/modules/nf-core/centrifuge/kreport/main.nf
+++ b/modules/nf-core/centrifuge/kreport/main.nf
@@ -1,6 +1,6 @@
 process CENTRIFUGE_KREPORT {
     tag "$meta.id"
-    label 'process_low'
+    label 'process_single'
 
     conda (params.enable_conda ? "bioconda::centrifuge=1.0.4_beta" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
diff --git a/modules/nf-core/custom/dumpsoftwareversions/templates/dumpsoftwareversions.py b/modules/nf-core/custom/dumpsoftwareversions/templates/dumpsoftwareversions.py
index d139039..7c2abfa 100644
--- a/modules/nf-core/custom/dumpsoftwareversions/templates/dumpsoftwareversions.py
+++ b/modules/nf-core/custom/dumpsoftwareversions/templates/dumpsoftwareversions.py
@@ -58,11 +58,12 @@ versions_by_module = {}
 for process, process_versions in versions_by_process.items():
     module = process.split(":")[-1]
     try:
-        assert versions_by_module[module] == process_versions, (
-            "We assume that software versions are the same between all modules. "
-            "If you see this error-message it means you discovered an edge-case "
-            "and should open an issue in nf-core/tools. "
-        )
+        if versions_by_module[module] != process_versions:
+            raise AssertionError(
+                "We assume that software versions are the same between all modules. "
+                "If you see this error-message it means you discovered an edge-case "
+                "and should open an issue in nf-core/tools. "
+            )
     except KeyError:
         versions_by_module[module] = process_versions
 
diff --git a/modules/nf-core/eido/convert/main.nf b/modules/nf-core/eido/convert/main.nf
index be4c02f..7ec4b8c 100644
--- a/modules/nf-core/eido/convert/main.nf
+++ b/modules/nf-core/eido/convert/main.nf
@@ -1,5 +1,5 @@
 process EIDO_CONVERT {
-    tag '$samplesheet'
+    tag "$samplesheet"
     label 'process_single'
 
     conda (params.enable_conda ? "conda-forge::eido=0.1.9" : null)
diff --git a/modules/nf-core/eido/validate/main.nf b/modules/nf-core/eido/validate/main.nf
index e564e83..798d3a0 100644
--- a/modules/nf-core/eido/validate/main.nf
+++ b/modules/nf-core/eido/validate/main.nf
@@ -1,5 +1,5 @@
 process EIDO_VALIDATE {
-    tag '$samplesheet'
+    tag "$samplesheet"
     label 'process_single'
 
     conda (params.enable_conda ? "conda-forge::eido=0.1.9" : null)
diff --git a/modules/nf-core/gunzip/main.nf b/modules/nf-core/gunzip/main.nf
index 7036704..fa6ba26 100644
--- a/modules/nf-core/gunzip/main.nf
+++ b/modules/nf-core/gunzip/main.nf
@@ -1,6 +1,6 @@
 process GUNZIP {
     tag "$archive"
-    label 'process_low'
+    label 'process_single'
 
     conda (params.enable_conda ? "conda-forge::sed=4.7" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
diff --git a/modules/nf-core/kaiju/kaiju2krona/main.nf b/modules/nf-core/kaiju/kaiju2krona/main.nf
index c95d5a7..3f35ce7 100644
--- a/modules/nf-core/kaiju/kaiju2krona/main.nf
+++ b/modules/nf-core/kaiju/kaiju2krona/main.nf
@@ -1,6 +1,6 @@
 process KAIJU_KAIJU2KRONA {
     tag "$meta.id"
-    label 'process_low'
+    label 'process_single'
 
     conda (params.enable_conda ? "bioconda::kaiju=1.8.2" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
diff --git a/modules/nf-core/kaiju/kaiju2table/main.nf b/modules/nf-core/kaiju/kaiju2table/main.nf
index 00739d1..8648d56 100644
--- a/modules/nf-core/kaiju/kaiju2table/main.nf
+++ b/modules/nf-core/kaiju/kaiju2table/main.nf
@@ -1,6 +1,6 @@
 process KAIJU_KAIJU2TABLE {
     tag "$meta.id"
-    label 'process_low'
+    label 'process_single'
 
     conda (params.enable_conda ? "bioconda::kaiju=1.8.2" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
diff --git a/modules/nf-core/krakentools/combinekreports/main.nf b/modules/nf-core/krakentools/combinekreports/main.nf
index 849f39c..fdcc245 100644
--- a/modules/nf-core/krakentools/combinekreports/main.nf
+++ b/modules/nf-core/krakentools/combinekreports/main.nf
@@ -1,5 +1,5 @@
 process KRAKENTOOLS_COMBINEKREPORTS {
-    label 'process_low'
+    label 'process_single'
 
     conda (params.enable_conda ? "bioconda::krakentools=1.2" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
diff --git a/modules/nf-core/krakentools/kreport2krona/main.nf b/modules/nf-core/krakentools/kreport2krona/main.nf
index 1fcb1e4..8ed46f1 100644
--- a/modules/nf-core/krakentools/kreport2krona/main.nf
+++ b/modules/nf-core/krakentools/kreport2krona/main.nf
@@ -1,6 +1,6 @@
 process KRAKENTOOLS_KREPORT2KRONA {
     tag "$meta.id"
-    label 'process_low'
+    label 'process_single'
 
     // WARN: Version information not provided by tool on CLI. Please update version string below when bumping container versions.
     conda (params.enable_conda ? "bioconda::krakentools=1.2" : null)
diff --git a/modules/nf-core/krona/ktimporttaxonomy/main.nf b/modules/nf-core/krona/ktimporttaxonomy/main.nf
index 9b03462..79c01d7 100644
--- a/modules/nf-core/krona/ktimporttaxonomy/main.nf
+++ b/modules/nf-core/krona/ktimporttaxonomy/main.nf
@@ -1,6 +1,6 @@
 process KRONA_KTIMPORTTAXONOMY {
     tag "${meta.id}"
-    label 'process_high'
+    label 'process_single'
 
     // WARN: Version information not provided by tool on CLI. Please update version string below when bumping container versions.
     conda (params.enable_conda ? "bioconda::krona=2.8" : null)
diff --git a/modules/nf-core/krona/ktimporttext/main.nf b/modules/nf-core/krona/ktimporttext/main.nf
index de0cfc2..edf7aab 100644
--- a/modules/nf-core/krona/ktimporttext/main.nf
+++ b/modules/nf-core/krona/ktimporttext/main.nf
@@ -1,6 +1,6 @@
 process KRONA_KTIMPORTTEXT {
     tag "$meta.id"
-    label 'process_low'
+    label 'process_single'
 
     conda (params.enable_conda ? "bioconda::krona=2.8.1" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
diff --git a/modules/nf-core/megan/rma2info/main.nf b/modules/nf-core/megan/rma2info/main.nf
index 80d1975..9c6a094 100644
--- a/modules/nf-core/megan/rma2info/main.nf
+++ b/modules/nf-core/megan/rma2info/main.nf
@@ -1,6 +1,6 @@
 process MEGAN_RMA2INFO {
     tag "$meta.id"
-    label 'process_low'
+    label 'process_single'
 
     conda (params.enable_conda ? "bioconda::megan=6.21.7" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
diff --git a/modules/nf-core/minimap2/index/main.nf b/modules/nf-core/minimap2/index/main.nf
index 3dfeb86..25e9429 100644
--- a/modules/nf-core/minimap2/index/main.nf
+++ b/modules/nf-core/minimap2/index/main.nf
@@ -7,11 +7,11 @@ process MINIMAP2_INDEX {
         'quay.io/biocontainers/minimap2:2.21--h5bf99c6_0' }"
 
     input:
-    path fasta
+    tuple val(meta), path(fasta)
 
     output:
-    path "*.mmi"        , emit: index
-    path "versions.yml" , emit: versions
+    tuple val(meta), path("*.mmi"), emit: index
+    path "versions.yml"           , emit: versions
 
     when:
     task.ext.when == null || task.ext.when
diff --git a/modules/nf-core/minimap2/index/meta.yml b/modules/nf-core/minimap2/index/meta.yml
index 3bf9f04..603c651 100644
--- a/modules/nf-core/minimap2/index/meta.yml
+++ b/modules/nf-core/minimap2/index/meta.yml
@@ -12,11 +12,21 @@ tools:
       documentation: https://github.com/lh3/minimap2#uguide
       licence: ["MIT"]
 input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
   - fasta:
       type: file
       description: |
         Reference database in FASTA format.
 output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
   - mmi:
       type: file
       description: Minimap2 fasta index.
diff --git a/modules/nf-core/motus/merge/main.nf b/modules/nf-core/motus/merge/main.nf
index a050c7a..d9f091e 100644
--- a/modules/nf-core/motus/merge/main.nf
+++ b/modules/nf-core/motus/merge/main.nf
@@ -2,7 +2,7 @@ VERSION = '3.0.1'
 
 process MOTUS_MERGE {
     tag "$meta.id"
-    label 'process_low'
+    label 'process_single'
 
     conda (params.enable_conda ? "bioconda::motus=3.0.1" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
diff --git a/modules/nf-core/samtools/view/main.nf b/modules/nf-core/samtools/view/main.nf
index 59ded5c..94da5d6 100644
--- a/modules/nf-core/samtools/view/main.nf
+++ b/modules/nf-core/samtools/view/main.nf
@@ -10,31 +10,39 @@ process SAMTOOLS_VIEW {
     input:
     tuple val(meta), path(input), path(index)
     path fasta
+    path qname
 
     output:
-    tuple val(meta), path("*.bam") , emit: bam , optional: true
-    tuple val(meta), path("*.cram"), emit: cram, optional: true
-    path  "versions.yml"           , emit: versions
+    tuple val(meta), path("*.bam"),  emit: bam,     optional: true
+    tuple val(meta), path("*.cram"), emit: cram,    optional: true
+    tuple val(meta), path("*.sam"),  emit: sam,     optional: true
+    tuple val(meta), path("*.bai"),  emit: bai,     optional: true
+    tuple val(meta), path("*.csi"),  emit: csi,     optional: true
+    tuple val(meta), path("*.crai"), emit: crai,    optional: true
+    path  "versions.yml",            emit: versions
 
     when:
     task.ext.when == null || task.ext.when
 
     script:
     def args = task.ext.args ?: ''
-    def args2 = task.ext.args2 ?: ''
     def prefix = task.ext.prefix ?: "${meta.id}"
-    def reference = fasta ? "--reference ${fasta} -C" : ""
-    def file_type = input.getExtension()
+    def reference = fasta ? "--reference ${fasta}" : ""
+    def readnames = qname ? "--qname-file ${qname}": ""
+    def file_type = args.contains("--output-fmt sam") ? "sam" :
+                    args.contains("--output-fmt bam") ? "bam" :
+                    args.contains("--output-fmt cram") ? "cram" :
+                    input.getExtension()
     if ("$input" == "${prefix}.${file_type}") error "Input and output names are the same, use \"task.ext.prefix\" to disambiguate!"
     """
     samtools \\
         view \\
         --threads ${task.cpus-1} \\
         ${reference} \\
+        ${readnames} \\
         $args \\
-        $input \\
-        $args2 \\
-        > ${prefix}.${file_type}
+        -o ${prefix}.${file_type} \\
+        $input
 
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":
diff --git a/modules/nf-core/samtools/view/meta.yml b/modules/nf-core/samtools/view/meta.yml
index a8b43ec..a52e4f8 100644
--- a/modules/nf-core/samtools/view/meta.yml
+++ b/modules/nf-core/samtools/view/meta.yml
@@ -33,6 +33,10 @@ input:
       type: optional file
       description: Reference file the CRAM was created with
       pattern: "*.{fasta,fa}"
+  - qname:
+      type: file
+      description: Optional file with read names to output only select alignments
+      pattern: "*.{txt,list}"
 output:
   - meta:
       type: map
@@ -41,12 +45,29 @@ output:
         e.g. [ id:'test', single_end:false ]
   - bam:
       type: file
-      description: filtered/converted BAM/SAM file
-      pattern: "*.{bam,sam}"
+      description: optional filtered/converted BAM file
+      pattern: "*.{bam}"
   - cram:
       type: file
-      description: filtered/converted CRAM file
-      pattern: "*.cram"
+      description: optional filtered/converted CRAM file
+      pattern: "*.{cram}"
+  - sam:
+      type: file
+      description: optional filtered/converted SAM file
+      pattern: "*.{sam}"
+  # bai, csi, and crai are created with `--write-index`
+  - bai:
+      type: file
+      description: optional BAM file index
+      pattern: "*.{bai}"
+  - csi:
+      type: file
+      description: optional tabix BAM file index
+      pattern: "*.{csi}"
+  - crai:
+      type: file
+      description: optional CRAM file index
+      pattern: "*.{crai}"
   - versions:
       type: file
       description: File containing software versions
@@ -55,3 +76,4 @@ authors:
   - "@drpatelh"
   - "@joseespinosa"
   - "@FriederikeHanssen"
+  - "@priyanka-surana"
diff --git a/modules/nf-core/untar/main.nf b/modules/nf-core/untar/main.nf
index 007871b..71eea7b 100644
--- a/modules/nf-core/untar/main.nf
+++ b/modules/nf-core/untar/main.nf
@@ -27,7 +27,7 @@ process UNTAR {
 
     ## Ensures --strip-components only applied when top level of tar contents is a directory
     ## If just files or multiple directories, place all in output
-    if [[ \$(tar -tzf ${archive} | grep "/\$" | wc -l) -eq 1 ]]; then
+    if [[ \$(tar -tzf ${archive} | grep -o -P "^.*?\\/" | uniq | wc -l) -eq 1 ]]; then
         tar \\
             -C output --strip-components 1 \\
             -xzvf \\

From f5af9fd939667de6754d0647762eae8d89e0e156 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Wed, 5 Oct 2022 13:40:43 +0200
Subject: [PATCH 374/789] fix: adjust import paths to re-organization

---
 subworkflows/local/db_check.nf                 |  2 +-
 subworkflows/local/input_check.nf              |  4 ++--
 subworkflows/local/longread_hostremoval.nf     |  8 ++++----
 subworkflows/local/longread_preprocessing.nf   |  6 +++---
 subworkflows/local/profiling.nf                | 18 +++++++++---------
 subworkflows/local/shortread_adapterremoval.nf |  6 +++---
 .../local/shortread_complexityfiltering.nf     |  4 ++--
 subworkflows/local/shortread_fastp.nf          |  4 ++--
 subworkflows/local/shortread_hostremoval.nf    |  4 ++--
 subworkflows/local/shortread_preprocessing.nf  |  2 +-
 subworkflows/local/standardisation_profiles.nf | 12 ++++++------
 subworkflows/local/visualization_krona.nf      | 12 ++++++------
 12 files changed, 41 insertions(+), 41 deletions(-)

diff --git a/subworkflows/local/db_check.nf b/subworkflows/local/db_check.nf
index 7b440c6..5d0c4eb 100644
--- a/subworkflows/local/db_check.nf
+++ b/subworkflows/local/db_check.nf
@@ -3,7 +3,7 @@
 //
 
 include { DATABASE_CHECK   } from '../../modules/local/database_check'
-include { UNTAR            } from '../../modules/nf-core/modules/untar/main'
+include { UNTAR            } from '../../modules/nf-core/untar/main'
 
 workflow DB_CHECK {
     take:
diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index e8d5e7a..46baff2 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -2,8 +2,8 @@
 // Check input samplesheet and get read channels
 //
 
-include { EIDO_VALIDATE } from '../../modules/nf-core/modules/eido/validate/main'
-include { EIDO_CONVERT } from '../../modules/nf-core/modules/eido/convert/main'
+include { EIDO_VALIDATE } from '../../modules/nf-core/eido/validate/main'
+include { EIDO_CONVERT } from '../../modules/nf-core/eido/convert/main'
 
 workflow INPUT_CHECK {
     take:
diff --git a/subworkflows/local/longread_hostremoval.nf b/subworkflows/local/longread_hostremoval.nf
index 7db020b..5b4413f 100644
--- a/subworkflows/local/longread_hostremoval.nf
+++ b/subworkflows/local/longread_hostremoval.nf
@@ -2,10 +2,10 @@
 // Remove host reads via alignment and export off-target reads
 //
 
-include { MINIMAP2_INDEX             } from '../../modules/nf-core/modules/minimap2/index/main'
-include { MINIMAP2_ALIGN             } from '../../modules/nf-core/modules/minimap2/align/main'
-include { SAMTOOLS_VIEW              } from '../../modules/nf-core/modules/samtools/view/main'
-include { SAMTOOLS_BAM2FQ            } from '../../modules/nf-core/modules/samtools/bam2fq/main'
+include { MINIMAP2_INDEX             } from '../../modules/nf-core/minimap2/index/main'
+include { MINIMAP2_ALIGN             } from '../../modules/nf-core/minimap2/align/main'
+include { SAMTOOLS_VIEW              } from '../../modules/nf-core/samtools/view/main'
+include { SAMTOOLS_BAM2FQ            } from '../../modules/nf-core/samtools/bam2fq/main'
 
 workflow LONGREAD_HOSTREMOVAL {
     take:
diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf
index c04207e..ce537e8 100644
--- a/subworkflows/local/longread_preprocessing.nf
+++ b/subworkflows/local/longread_preprocessing.nf
@@ -2,9 +2,9 @@
 // Process long raw reads with porechop
 //
 
-include { FASTQC as FASTQC_PROCESSED } from '../../modules/nf-core/modules/fastqc/main'
-include { PORECHOP                   } from '../../modules/nf-core/modules/porechop/main'
-include { FILTLONG                   } from '../../modules/nf-core/modules/filtlong/main'
+include { FASTQC as FASTQC_PROCESSED } from '../../modules/nf-core/fastqc/main'
+include { PORECHOP                   } from '../../modules/nf-core/porechop/main'
+include { FILTLONG                   } from '../../modules/nf-core/filtlong/main'
 
 workflow LONGREAD_PREPROCESSING {
     take:
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index c2ef508..11c4a72 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -2,15 +2,15 @@
 // Run profiling
 //
 
-include { MALT_RUN                              } from '../../modules/nf-core/modules/malt/run/main'
-include { MEGAN_RMA2INFO as MEGAN_RMA2INFO_TSV  } from '../../modules/nf-core/modules/megan/rma2info/main'
-include { KRAKEN2_KRAKEN2                       } from '../../modules/nf-core/modules/kraken2/kraken2/main'
-include { CENTRIFUGE_CENTRIFUGE                 } from '../../modules/nf-core/modules/centrifuge/centrifuge/main'
-include { CENTRIFUGE_KREPORT                    } from '../../modules/nf-core/modules/centrifuge/kreport/main'
-include { METAPHLAN3_METAPHLAN3                 } from '../../modules/nf-core/modules/metaphlan3/metaphlan3/main'
-include { KAIJU_KAIJU                           } from '../../modules/nf-core/modules/kaiju/kaiju/main'
-include { DIAMOND_BLASTX                        } from '../../modules/nf-core/modules/diamond/blastx/main'
-include { MOTUS_PROFILE                         } from '../../modules/nf-core/modules/motus/profile/main'
+include { MALT_RUN                              } from '../../modules/nf-core/malt/run/main'
+include { MEGAN_RMA2INFO as MEGAN_RMA2INFO_TSV  } from '../../modules/nf-core/megan/rma2info/main'
+include { KRAKEN2_KRAKEN2                       } from '../../modules/nf-core/kraken2/kraken2/main'
+include { CENTRIFUGE_CENTRIFUGE                 } from '../../modules/nf-core/centrifuge/centrifuge/main'
+include { CENTRIFUGE_KREPORT                    } from '../../modules/nf-core/centrifuge/kreport/main'
+include { METAPHLAN3_METAPHLAN3                 } from '../../modules/nf-core/metaphlan3/metaphlan3/main'
+include { KAIJU_KAIJU                           } from '../../modules/nf-core/kaiju/kaiju/main'
+include { DIAMOND_BLASTX                        } from '../../modules/nf-core/diamond/blastx/main'
+include { MOTUS_PROFILE                         } from '../../modules/nf-core/motus/profile/main'
 
 workflow PROFILING {
     take:
diff --git a/subworkflows/local/shortread_adapterremoval.nf b/subworkflows/local/shortread_adapterremoval.nf
index e491423..a5a43fe 100644
--- a/subworkflows/local/shortread_adapterremoval.nf
+++ b/subworkflows/local/shortread_adapterremoval.nf
@@ -2,9 +2,9 @@
 // Process short raw reads with AdapterRemoval
 //
 
-include { ADAPTERREMOVAL as ADAPTERREMOVAL_SINGLE       } from '../../modules/nf-core/modules/adapterremoval/main'
-include { ADAPTERREMOVAL as ADAPTERREMOVAL_PAIRED       } from '../../modules/nf-core/modules/adapterremoval/main'
-include { CAT_FASTQ                                     } from '../../modules/nf-core/modules/cat/fastq/main'
+include { ADAPTERREMOVAL as ADAPTERREMOVAL_SINGLE       } from '../../modules/nf-core/adapterremoval/main'
+include { ADAPTERREMOVAL as ADAPTERREMOVAL_PAIRED       } from '../../modules/nf-core/adapterremoval/main'
+include { CAT_FASTQ                                     } from '../../modules/nf-core/cat/fastq/main'
 
 workflow SHORTREAD_ADAPTERREMOVAL {
 
diff --git a/subworkflows/local/shortread_complexityfiltering.nf b/subworkflows/local/shortread_complexityfiltering.nf
index a34440d..844cd15 100644
--- a/subworkflows/local/shortread_complexityfiltering.nf
+++ b/subworkflows/local/shortread_complexityfiltering.nf
@@ -2,8 +2,8 @@
 // Check input samplesheet and get read channels
 //
 
-include { BBMAP_BBDUK     } from '../../modules/nf-core/modules/bbmap/bbduk/main'
-include { PRINSEQPLUSPLUS } from '../../modules/nf-core/modules/prinseqplusplus/main'
+include { BBMAP_BBDUK     } from '../../modules/nf-core/bbmap/bbduk/main'
+include { PRINSEQPLUSPLUS } from '../../modules/nf-core/prinseqplusplus/main'
 
 workflow SHORTREAD_COMPLEXITYFILTERING {
     take:
diff --git a/subworkflows/local/shortread_fastp.nf b/subworkflows/local/shortread_fastp.nf
index 05e0f3d..d466041 100644
--- a/subworkflows/local/shortread_fastp.nf
+++ b/subworkflows/local/shortread_fastp.nf
@@ -2,8 +2,8 @@
 // Process short raw reads with FastP
 //
 
-include { FASTP as FASTP_SINGLE       } from '../../modules/nf-core/modules/fastp/main'
-include { FASTP as FASTP_PAIRED       } from '../../modules/nf-core/modules/fastp/main'
+include { FASTP as FASTP_SINGLE       } from '../../modules/nf-core/fastp/main'
+include { FASTP as FASTP_PAIRED       } from '../../modules/nf-core/fastp/main'
 
 workflow SHORTREAD_FASTP {
     take:
diff --git a/subworkflows/local/shortread_hostremoval.nf b/subworkflows/local/shortread_hostremoval.nf
index c5f15c7..d181a34 100644
--- a/subworkflows/local/shortread_hostremoval.nf
+++ b/subworkflows/local/shortread_hostremoval.nf
@@ -2,8 +2,8 @@
 // Remove host reads via alignment and export off-target reads
 //
 
-include { BOWTIE2_BUILD             } from '../../modules/nf-core/modules/bowtie2/build/main'
-include { BOWTIE2_ALIGN             } from '../../modules/nf-core/modules/bowtie2/align/main'
+include { BOWTIE2_BUILD             } from '../../modules/nf-core/bowtie2/build/main'
+include { BOWTIE2_ALIGN             } from '../../modules/nf-core/bowtie2/align/main'
 
 workflow SHORTREAD_HOSTREMOVAL {
     take:
diff --git a/subworkflows/local/shortread_preprocessing.nf b/subworkflows/local/shortread_preprocessing.nf
index 977a317..859c1d5 100644
--- a/subworkflows/local/shortread_preprocessing.nf
+++ b/subworkflows/local/shortread_preprocessing.nf
@@ -5,7 +5,7 @@
 
 include { SHORTREAD_FASTP             } from './shortread_fastp'
 include { SHORTREAD_ADAPTERREMOVAL    } from './shortread_adapterremoval'
-include { FASTQC as FASTQC_PROCESSED       } from '../../modules/nf-core/modules/fastqc/main'
+include { FASTQC as FASTQC_PROCESSED       } from '../../modules/nf-core/fastqc/main'
 
 workflow SHORTREAD_PREPROCESSING {
     take:
diff --git a/subworkflows/local/standardisation_profiles.nf b/subworkflows/local/standardisation_profiles.nf
index 7a441ff..cbb0fab 100644
--- a/subworkflows/local/standardisation_profiles.nf
+++ b/subworkflows/local/standardisation_profiles.nf
@@ -2,11 +2,11 @@
 // Standardise output files e.g. aggregation
 //
 
-include { KAIJU_KAIJU2TABLE                                                     } from '../../modules/nf-core/modules/kaiju/kaiju2table/main'
-include { KRAKENTOOLS_COMBINEKREPORTS                                           } from '../../modules/nf-core/modules/krakentools/combinekreports/main'
-include { KRAKENTOOLS_COMBINEKREPORTS as KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE } from '../../modules/nf-core/modules/krakentools/combinekreports/main'
-include { METAPHLAN3_MERGEMETAPHLANTABLES                                       } from '../../modules/nf-core/modules/metaphlan3/mergemetaphlantables/main'
-include { MOTUS_MERGE                                                           } from '../../modules/nf-core/modules/motus/merge/main'
+include { KAIJU_KAIJU2TABLE                                                     } from '../../modules/nf-core/kaiju/kaiju2table/main'
+include { KRAKENTOOLS_COMBINEKREPORTS                                           } from '../../modules/nf-core/krakentools/combinekreports/main'
+include { KRAKENTOOLS_COMBINEKREPORTS as KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE } from '../../modules/nf-core/krakentools/combinekreports/main'
+include { METAPHLAN3_MERGEMETAPHLANTABLES                                       } from '../../modules/nf-core/metaphlan3/mergemetaphlantables/main'
+include { MOTUS_MERGE                                                           } from '../../modules/nf-core/motus/merge/main'
 
 workflow STANDARDISATION_PROFILES {
     take:
@@ -99,7 +99,7 @@ workflow STANDARDISATION_PROFILES {
     ch_versions = ch_versions.mix( KRAKENTOOLS_COMBINEKREPORTS.out.versions )
 
     // MetaPhlAn3
-    
+
     ch_profiles_for_metaphlan3 = ch_input_profiles.metaphlan3
                             .map { [it[0]['db_name'], it[1]] }
                             .groupTuple()
diff --git a/subworkflows/local/visualization_krona.nf b/subworkflows/local/visualization_krona.nf
index f06768a..7d8e4f0 100644
--- a/subworkflows/local/visualization_krona.nf
+++ b/subworkflows/local/visualization_krona.nf
@@ -2,13 +2,13 @@
 // Create Krona visualizations
 //
 
-include { MEGAN_RMA2INFO as MEGAN_RMA2INFO_KRONA      } from '../../modules/nf-core/modules/megan/rma2info/main'
-include { KAIJU_KAIJU2KRONA         } from '../../modules/nf-core/modules/kaiju/kaiju2krona/main'
-include { KRAKENTOOLS_KREPORT2KRONA } from '../../modules/nf-core/modules/krakentools/kreport2krona/main'
+include { MEGAN_RMA2INFO as MEGAN_RMA2INFO_KRONA      } from '../../modules/nf-core/megan/rma2info/main'
+include { KAIJU_KAIJU2KRONA         } from '../../modules/nf-core/kaiju/kaiju2krona/main'
+include { KRAKENTOOLS_KREPORT2KRONA } from '../../modules/nf-core/krakentools/kreport2krona/main'
 include { KRONA_CLEANUP             } from '../../modules/local/krona_cleanup'
-include { KRONA_KTIMPORTTEXT        } from '../../modules/nf-core/modules/krona/ktimporttext/main'
-include { KRONA_KTIMPORTTAXONOMY    } from '../../modules/nf-core/modules/krona/ktimporttaxonomy/main'
-include { GUNZIP                    } from '../../modules/nf-core/modules/gunzip/main'
+include { KRONA_KTIMPORTTEXT        } from '../../modules/nf-core/krona/ktimporttext/main'
+include { KRONA_KTIMPORTTAXONOMY    } from '../../modules/nf-core/krona/ktimporttaxonomy/main'
+include { GUNZIP                    } from '../../modules/nf-core/gunzip/main'
 
 workflow VISUALIZATION_KRONA {
     take:

From 180cac0395d82d5e91049445c41d26b64caee46f Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Wed, 5 Oct 2022 13:49:35 +0200
Subject: [PATCH 375/789] fix: adapt to new samtools/view input

---
 subworkflows/local/longread_hostremoval.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/longread_hostremoval.nf b/subworkflows/local/longread_hostremoval.nf
index 5b4413f..751f4e1 100644
--- a/subworkflows/local/longread_hostremoval.nf
+++ b/subworkflows/local/longread_hostremoval.nf
@@ -33,7 +33,7 @@ workflow LONGREAD_HOSTREMOVAL {
         }
 
 
-    SAMTOOLS_VIEW ( ch_minimap2_mapped , [] )
+    SAMTOOLS_VIEW ( ch_minimap2_mapped , [], [] )
     ch_versions      = ch_versions.mix( SAMTOOLS_VIEW.out.versions.first() )
 
     SAMTOOLS_BAM2FQ ( SAMTOOLS_VIEW.out.bam, false )

From 5f3dbd28dea341618a6246f2bee960d9621de34b Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Wed, 5 Oct 2022 13:51:15 +0200
Subject: [PATCH 376/789] fix: patch inputs to correspond to previous version

---
 modules.json                                  |  3 ++-
 modules/nf-core/minimap2/index/main.nf        |  6 +++---
 .../minimap2/index/minimap2-index.diff        | 20 +++++++++++++++++++
 3 files changed, 25 insertions(+), 4 deletions(-)
 create mode 100644 modules/nf-core/minimap2/index/minimap2-index.diff

diff --git a/modules.json b/modules.json
index 10d6c74..e9af665 100644
--- a/modules.json
+++ b/modules.json
@@ -119,7 +119,8 @@
                     },
                     "minimap2/index": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "patch": "modules/nf-core/minimap2/index/minimap2-index.diff"
                     },
                     "motus/merge": {
                         "branch": "master",
diff --git a/modules/nf-core/minimap2/index/main.nf b/modules/nf-core/minimap2/index/main.nf
index 25e9429..3dfeb86 100644
--- a/modules/nf-core/minimap2/index/main.nf
+++ b/modules/nf-core/minimap2/index/main.nf
@@ -7,11 +7,11 @@ process MINIMAP2_INDEX {
         'quay.io/biocontainers/minimap2:2.21--h5bf99c6_0' }"
 
     input:
-    tuple val(meta), path(fasta)
+    path fasta
 
     output:
-    tuple val(meta), path("*.mmi"), emit: index
-    path "versions.yml"           , emit: versions
+    path "*.mmi"        , emit: index
+    path "versions.yml" , emit: versions
 
     when:
     task.ext.when == null || task.ext.when
diff --git a/modules/nf-core/minimap2/index/minimap2-index.diff b/modules/nf-core/minimap2/index/minimap2-index.diff
new file mode 100644
index 0000000..de306d5
--- /dev/null
+++ b/modules/nf-core/minimap2/index/minimap2-index.diff
@@ -0,0 +1,20 @@
+Changes in module 'nf-core/minimap2/index'
+--- modules/nf-core/minimap2/index/main.nf
++++ modules/nf-core/minimap2/index/main.nf
+@@ -7,11 +7,11 @@
+         'quay.io/biocontainers/minimap2:2.21--h5bf99c6_0' }"
+ 
+     input:
+-    tuple val(meta), path(fasta)
++    path fasta
+ 
+     output:
+-    tuple val(meta), path("*.mmi"), emit: index
+-    path "versions.yml"           , emit: versions
++    path "*.mmi"        , emit: index
++    path "versions.yml" , emit: versions
+ 
+     when:
+     task.ext.when == null || task.ext.when
+
+************************************************************

From 58dffc0c5d4d710950dc2fe43555f353ce919f0a Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Tue, 11 Oct 2022 12:36:48 +0200
Subject: [PATCH 377/789] Add KrakenUniq and Filtlong in documentation

---
 README.md | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/README.md b/README.md
index 11eb9a3..1537a6f 100644
--- a/README.md
+++ b/README.md
@@ -32,8 +32,8 @@ On release, automated continuous integration tests run the pipeline on a full-si
 
 1. Read QC ([`FastQC`](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/))
 2. Performs optional read pre-processing
-   - Adapter clipping and merging (short read: [fastp](https://github.com/OpenGene/fastp), [AdapterRemoval2](https://github.com/MikkelSchubert/adapterremoval); long read: [porechop](https://github.com/rrwick/Porechop))
-   - Low complexity filtering ([bbduk](https://jgi.doe.gov/data-and-tools/software-tools/bbtools/), [PRINSEQ++](https://github.com/Adrian-Cantu/PRINSEQ-plus-plus))
+   - Adapter clipping and merging (short-read: [fastp](https://github.com/OpenGene/fastp), [AdapterRemoval2](https://github.com/MikkelSchubert/adapterremoval); long-read: [porechop](https://github.com/rrwick/Porechop))
+   - Low complexity filtering (short-read: [bbduk](https://jgi.doe.gov/data-and-tools/software-tools/bbtools/), [PRINSEQ++](https://github.com/Adrian-Cantu/PRINSEQ-plus-plus); long-read: [Filtlong](https://github.com/rrwick/Filtlong))
    - Host read removal ([BowTie2](http://bowtie-bio.sourceforge.net/bowtie2/))
    - Run merging
 3. Performs taxonomic profiling using one or more of:
@@ -44,7 +44,7 @@ On release, automated continuous integration tests run the pipeline on a full-si
    - [Centrifuge](https://ccb.jhu.edu/software/centrifuge/)
    - [Kaiju](https://kaiju.binf.ku.dk/)
    - [mOTUs](https://motu-tool.org/)
-   - [MetaMaps](https://github.com/DiltheyLab/MetaMaps)
+   - [KrakenUniq](https://github.com/fbreitwieser/krakenuniq)
 4. Perform optional post-processing with:
    - [bracken](https://ccb.jhu.edu/software/bracken/)
 5. Standardises output tables

From 56bae8575534828a738e09e8028eb8ee867ac1e8 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 11 Oct 2022 12:38:18 +0200
Subject: [PATCH 378/789] Remove necessity of patch

---
 modules.json                                  |  3 +--
 modules/nf-core/minimap2/index/main.nf        |  6 +++---
 .../minimap2/index/minimap2-index.diff        | 20 -------------------
 subworkflows/local/longread_hostremoval.nf    |  2 +-
 4 files changed, 5 insertions(+), 26 deletions(-)
 delete mode 100644 modules/nf-core/minimap2/index/minimap2-index.diff

diff --git a/modules.json b/modules.json
index e9af665..10d6c74 100644
--- a/modules.json
+++ b/modules.json
@@ -119,8 +119,7 @@
                     },
                     "minimap2/index": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
-                        "patch": "modules/nf-core/minimap2/index/minimap2-index.diff"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
                     },
                     "motus/merge": {
                         "branch": "master",
diff --git a/modules/nf-core/minimap2/index/main.nf b/modules/nf-core/minimap2/index/main.nf
index 3dfeb86..25e9429 100644
--- a/modules/nf-core/minimap2/index/main.nf
+++ b/modules/nf-core/minimap2/index/main.nf
@@ -7,11 +7,11 @@ process MINIMAP2_INDEX {
         'quay.io/biocontainers/minimap2:2.21--h5bf99c6_0' }"
 
     input:
-    path fasta
+    tuple val(meta), path(fasta)
 
     output:
-    path "*.mmi"        , emit: index
-    path "versions.yml" , emit: versions
+    tuple val(meta), path("*.mmi"), emit: index
+    path "versions.yml"           , emit: versions
 
     when:
     task.ext.when == null || task.ext.when
diff --git a/modules/nf-core/minimap2/index/minimap2-index.diff b/modules/nf-core/minimap2/index/minimap2-index.diff
deleted file mode 100644
index de306d5..0000000
--- a/modules/nf-core/minimap2/index/minimap2-index.diff
+++ /dev/null
@@ -1,20 +0,0 @@
-Changes in module 'nf-core/minimap2/index'
---- modules/nf-core/minimap2/index/main.nf
-+++ modules/nf-core/minimap2/index/main.nf
-@@ -7,11 +7,11 @@
-         'quay.io/biocontainers/minimap2:2.21--h5bf99c6_0' }"
- 
-     input:
--    tuple val(meta), path(fasta)
-+    path fasta
- 
-     output:
--    tuple val(meta), path("*.mmi"), emit: index
--    path "versions.yml"           , emit: versions
-+    path "*.mmi"        , emit: index
-+    path "versions.yml" , emit: versions
- 
-     when:
-     task.ext.when == null || task.ext.when
-
-************************************************************
diff --git a/subworkflows/local/longread_hostremoval.nf b/subworkflows/local/longread_hostremoval.nf
index 751f4e1..82ea8ca 100644
--- a/subworkflows/local/longread_hostremoval.nf
+++ b/subworkflows/local/longread_hostremoval.nf
@@ -18,7 +18,7 @@ workflow LONGREAD_HOSTREMOVAL {
     ch_multiqc_files  = Channel.empty()
 
     if ( !params.longread_hostremoval_index ) {
-        ch_minimap2_index = MINIMAP2_INDEX ( reference ).index
+        ch_minimap2_index = MINIMAP2_INDEX ( [ [], reference ] ).index.map { it[1] }
         ch_versions       = ch_versions.mix( MINIMAP2_INDEX.out.versions )
     } else {
         ch_minimap2_index = index

From dea45c66c24bc1bed23c1a6ea964e8d78dacd921 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Tue, 11 Oct 2022 14:59:48 +0200
Subject: [PATCH 379/789] Add Krona description

---
 README.md | 1 +
 1 file changed, 1 insertion(+)

diff --git a/README.md b/README.md
index 1537a6f..9385b33 100644
--- a/README.md
+++ b/README.md
@@ -49,6 +49,7 @@ On release, automated continuous integration tests run the pipeline on a full-si
    - [bracken](https://ccb.jhu.edu/software/bracken/)
 5. Standardises output tables
 6. Present QC for raw reads ([`MultiQC`](http://multiqc.info/))
+7. Plotting Kraken2, Centrifuge, Kaiju and MALT results ([`Krona`](https://hpc.nih.gov/apps/kronatools.html))
 
 ## Quick Start
 

From 2423c9d87cef7c4c7588f21abdc5d46a85c18e66 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Tue, 11 Oct 2022 15:02:01 +0200
Subject: [PATCH 380/789] Add headers

---
 docs/usage.md | 1 +
 1 file changed, 1 insertion(+)

diff --git a/docs/usage.md b/docs/usage.md
index 8b8b588..4f4c1ac 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -47,6 +47,7 @@ The pipeline will auto-detect whether a sample is single- or paired-end using th
 A final samplesheet file consisting of both single- and paired-end data, as well as long-read FASTA files may look something like the one below. This is for 6 samples, where `2612` has been sequenced twice.
 
 ```console
+sample,run_accession,instrument_platform,fastq_1,fastq_2,fasta
 2611,ERR5766174,ILLUMINA,,,/<path>/<to>/fasta/ERX5474930_ERR5766174_1.fa.gz
 2612,ERR5766176,ILLUMINA,/<path>/<to>/fastq/ERX5474932_ERR5766176_1.fastq.gz,/<path>/<to>/fastq/ERX5474932_ERR5766176_2.fastq.gz,
 2612,ERR5766180,ILLUMINA,/<path>/<to>/fastq/ERX5474936_ERR5766180_1.fastq.gz,,

From f24344c168f6d98a8f58c38631557f5b9885f0e7 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Tue, 11 Oct 2022 16:30:42 +0200
Subject: [PATCH 381/789] Update README.md

---
 README.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/README.md b/README.md
index 9385b33..73dfe93 100644
--- a/README.md
+++ b/README.md
@@ -33,7 +33,7 @@ On release, automated continuous integration tests run the pipeline on a full-si
 1. Read QC ([`FastQC`](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/))
 2. Performs optional read pre-processing
    - Adapter clipping and merging (short-read: [fastp](https://github.com/OpenGene/fastp), [AdapterRemoval2](https://github.com/MikkelSchubert/adapterremoval); long-read: [porechop](https://github.com/rrwick/Porechop))
-   - Low complexity filtering (short-read: [bbduk](https://jgi.doe.gov/data-and-tools/software-tools/bbtools/), [PRINSEQ++](https://github.com/Adrian-Cantu/PRINSEQ-plus-plus); long-read: [Filtlong](https://github.com/rrwick/Filtlong))
+   - Low complexity and quality filtering (short-read: [bbduk](https://jgi.doe.gov/data-and-tools/software-tools/bbtools/), [PRINSEQ++](https://github.com/Adrian-Cantu/PRINSEQ-plus-plus); long-read: [Filtlong](https://github.com/rrwick/Filtlong))
    - Host read removal ([BowTie2](http://bowtie-bio.sourceforge.net/bowtie2/))
    - Run merging
 3. Performs taxonomic profiling using one or more of:

From f22cf0c921a2f1eb78ed807111966f3e2002307c Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Tue, 11 Oct 2022 16:41:44 +0200
Subject: [PATCH 382/789] Update usage.md

---
 docs/usage.md | 5 ++++-
 1 file changed, 4 insertions(+), 1 deletion(-)

diff --git a/docs/usage.md b/docs/usage.md
index 8b8b588..aec51dc 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -145,6 +145,7 @@ Expected (uncompressed) database files for each tool are as follows:
   with same release version of the mOTUs tools. The database for same version tools
   can be thus reused for multiple runs. Users can download the database once using the script above and
   specify the path the database to the TSV table provided to `--databases`.
+- **KrakenUniq**
 
 ## Running the pipeline
 
@@ -199,7 +200,9 @@ Complexity filtering is primarily a run-time optimisation step. It is not necess
 
 There are currently three options for short-read complexity filtering: [`bbduk`](https://jgi.doe.gov/data-and-tools/software-tools/bbtools/bb-tools-user-guide/bbduk-guide/), [`prinseq++`](https://github.com/Adrian-Cantu/PRINSEQ-plus-plus), and [`fastp`](https://github.com/OpenGene/fastp#low-complexity-filter).
 
-The tools offer different algorithms and parameters for removing low complexity reads. We therefore recommend reviewing the pipeline's [parameter documentation](https://nf-co.re/taxprofiler/parameters) and the documentation of the tools (see links above) to decide on optimal methods and parameters for your dataset.
+There is one option for long-read quality filtering:  [`Filtlong`](https://github.com/rrwick/Filtlong)
+
+The tools offer different algorithms and parameters for removing low complexity reads and quality filtering. We therefore recommend reviewing the pipeline's [parameter documentation](https://nf-co.re/taxprofiler/parameters) and the documentation of the tools (see links above) to decide on optimal methods and parameters for your dataset.
 
 You can optionally save the FASTQ output of the run merging with the `--save_complexityfiltered_reads`. If running with `fastp`, complexity filtering happens inclusively within the earlier shortread preprocessing step. Therefore there will not be an independent pipeline step for complexity filtering, and no independent FASTQ file (i.e. `--save_complexityfiltered_reads` will be ignored) - your complexity filtered reads will also be in the `fastp/` folder in the same file(s) as the preprocessed read.
 

From 35b7fc26f7ab0711c6fcebe45806d807ed6d8d1e Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Tue, 11 Oct 2022 17:01:08 +0200
Subject: [PATCH 383/789] [skip ci]

---
 README.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/README.md b/README.md
index 73dfe93..8d45ff8 100644
--- a/README.md
+++ b/README.md
@@ -53,7 +53,7 @@ On release, automated continuous integration tests run the pipeline on a full-si
 
 ## Quick Start
 
-1. Install [`Nextflow`](https://www.nextflow.io/docs/latest/getstarted.html#installation) (`>=21.10.3`)
+1. Install [`Nextflow`](https://www.nextflow.io/docs/latest/getstarted.html#installation) (`>=21.10.3`).
 
 2. Install any of [`Docker`](https://docs.docker.com/engine/installation/), [`Singularity`](https://www.sylabs.io/guides/3.0/user-guide/) (you can follow [this tutorial](https://singularity-tutorial.github.io/01-installation/)), [`Podman`](https://podman.io/), [`Shifter`](https://nersc.gitlab.io/development/shifter/how-to-use/) or [`Charliecloud`](https://hpc.github.io/charliecloud/) for full pipeline reproducibility _(you can use [`Conda`](https://conda.io/miniconda.html) both to install Nextflow itself and also to manage software within pipelines. Please only use it within pipelines as a last resort; see [docs](https://nf-co.re/usage/configuration#basic-configuration-profiles))_.
 

From 17b2ad3199aede3f695b1085869550c49eda97ec Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Tue, 11 Oct 2022 17:29:41 +0200
Subject: [PATCH 384/789] Add prettier

---
 docs/usage.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/usage.md b/docs/usage.md
index aec51dc..93ec0a9 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -200,7 +200,7 @@ Complexity filtering is primarily a run-time optimisation step. It is not necess
 
 There are currently three options for short-read complexity filtering: [`bbduk`](https://jgi.doe.gov/data-and-tools/software-tools/bbtools/bb-tools-user-guide/bbduk-guide/), [`prinseq++`](https://github.com/Adrian-Cantu/PRINSEQ-plus-plus), and [`fastp`](https://github.com/OpenGene/fastp#low-complexity-filter).
 
-There is one option for long-read quality filtering:  [`Filtlong`](https://github.com/rrwick/Filtlong)
+There is one option for long-read quality filtering: [`Filtlong`](https://github.com/rrwick/Filtlong)
 
 The tools offer different algorithms and parameters for removing low complexity reads and quality filtering. We therefore recommend reviewing the pipeline's [parameter documentation](https://nf-co.re/taxprofiler/parameters) and the documentation of the tools (see links above) to decide on optimal methods and parameters for your dataset.
 

From d09a8e054535e76b6c41e45598a7d14273d91244 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Tue, 11 Oct 2022 17:44:48 +0200
Subject: [PATCH 385/789] [skip ci]

---
 docs/usage.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/usage.md b/docs/usage.md
index 93ec0a9..3c0e17d 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -145,7 +145,7 @@ Expected (uncompressed) database files for each tool are as follows:
   with same release version of the mOTUs tools. The database for same version tools
   can be thus reused for multiple runs. Users can download the database once using the script above and
   specify the path the database to the TSV table provided to `--databases`.
-- **KrakenUniq**
+- **KrakenUniq** WIP
 
 ## Running the pipeline
 

From bd56bc0ed629e5ecb012cd39c98b0f5aa3663335 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Wed, 12 Oct 2022 11:10:53 +0200
Subject: [PATCH 386/789] Add minimap2 and update contributors

---
 README.md | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/README.md b/README.md
index 8d45ff8..2bd45a9 100644
--- a/README.md
+++ b/README.md
@@ -34,7 +34,7 @@ On release, automated continuous integration tests run the pipeline on a full-si
 2. Performs optional read pre-processing
    - Adapter clipping and merging (short-read: [fastp](https://github.com/OpenGene/fastp), [AdapterRemoval2](https://github.com/MikkelSchubert/adapterremoval); long-read: [porechop](https://github.com/rrwick/Porechop))
    - Low complexity and quality filtering (short-read: [bbduk](https://jgi.doe.gov/data-and-tools/software-tools/bbtools/), [PRINSEQ++](https://github.com/Adrian-Cantu/PRINSEQ-plus-plus); long-read: [Filtlong](https://github.com/rrwick/Filtlong))
-   - Host read removal ([BowTie2](http://bowtie-bio.sourceforge.net/bowtie2/))
+   - Host read removal (short-read: [BowTie2](http://bowtie-bio.sourceforge.net/bowtie2/); long-read: [Minimap2](https://github.com/lh3/minimap2))
    - Run merging
 3. Performs taxonomic profiling using one or more of:
    - [Kraken2](https://ccb.jhu.edu/software/kraken2/)
@@ -88,7 +88,7 @@ nf-core/taxprofiler was originally written by nf-core community.
 
 We thank the following people for their extensive assistance in the development of this pipeline:
 
-[James A. Fellows Yates](https://github.com/jfy133), [Moritz Beber](https://github.com/Midnighter), [Lauri Mesilaakso](https://github.com/ljmesi), [Sofia Stamouli](https://github.com/sofsam), [Maxime Borry](https://github.com/maxibor).
+[James A. Fellows Yates](https://github.com/jfy133), [Moritz Beber](https://github.com/Midnighter), [Lauri Mesilaakso](https://github.com/ljmesi), [Sofia Stamouli](https://github.com/sofsam), [Maxime Borry](https://github.com/maxibor),[Thomas A. Christensen II](https://github.com/MillironX), [Jianhong Ou](https://github.com/jianhong), [Rafal Stepien](https://github.com/rafalstepien), [Mahwash Jamy](https://github.com/mjamy).
 
 ## Contributions and Support
 

From 0b16010b92d7362e1accdc621f17fee99b824110 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Wed, 12 Oct 2022 11:39:03 +0200
Subject: [PATCH 387/789] Add tutorials section

---
 docs/usage.md | 16 +++++++++++++++-
 1 file changed, 15 insertions(+), 1 deletion(-)

diff --git a/docs/usage.md b/docs/usage.md
index 3c0e17d..0be44ed 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -228,7 +228,7 @@ Activating this functionality will concatenate the FASTQ files with the same sam
 
 You can optionally save the FASTQ output of the run merging with the `--save_runmerged_reads`.
 
-##### Profiling
+#### Profiling
 
 ###### MALT
 
@@ -429,6 +429,20 @@ We recommend adding the following line to your environment to limit this (typica
 NXF_OPTS='-Xms1g -Xmx4g'
 ```
 
+## Tutorials
+
+### Tutorial - How to create your custom database
+
+#### Kraken2
+Kraken2 allows the user to build custom databases. You can follow Kraken2 [tutorial](https://github.com/DerrickWood/kraken2/blob/master/docs/MANUAL.markdown#custom-databases).
+
+#### Centrifuge
+Centrifuge is similar to Kraken2 in that it enables to [build custom databases](https://ccb.jhu.edu/software/centrifuge/manual.shtml#custom-database). 
+
+#### Kaiju
+WIP
+
+
 ## Troubleshooting and FAQs
 
 ### I get a warning during centrifuge_kreport process with exit status 255.

From e98cd038c767705e6dce1fe119b44995a6e8d47f Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Wed, 12 Oct 2022 12:56:54 +0200
Subject: [PATCH 388/789] [skip ci]

Add description for MALT
---
 docs/usage.md | 18 +++++++++++++++++-
 1 file changed, 17 insertions(+), 1 deletion(-)

diff --git a/docs/usage.md b/docs/usage.md
index 0be44ed..5769bd9 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -440,8 +440,24 @@ Kraken2 allows the user to build custom databases. You can follow Kraken2 [tutor
 Centrifuge is similar to Kraken2 in that it enables to [build custom databases](https://ccb.jhu.edu/software/centrifuge/manual.shtml#custom-database). 
 
 #### Kaiju
-WIP
+It is possible to [create custom databases](https://github.com/bioinformatics-centre/kaiju#custom-database) with Kaiju.
 
+#### MALT
+To create a custom database for MALT, the user should download and unzip the following database which lists all NCBI records. The input files are specified using -i and the index is specified using -d. A detailed description for each argument can be found [here](https://software-ab.informatik.uni-tuebingen.de/download/malt/manual.pdf)
+
+```bash
+wget https://software-ab.informatik.uni-tuebingen.de/download/megan6/megan-nucl-Feb2022.db.zip
+unzip megan-nucl-Feb2022.db
+malt-build -i path/to/fasta/files/*.{fna,fa} -s DNA -d index -t 8 -st 4 -a2t megan-nucl-Feb2022.db
+```
+
+#### Bracken
+
+#### KrakenUniq
+
+#### DIAMOND
+
+#### mOTUs
 
 ## Troubleshooting and FAQs
 

From 4352d35937560e977904f1e9154691b76aff41f8 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Fri, 14 Oct 2022 10:52:17 +0200
Subject: [PATCH 389/789] chore: install Bracken module

---
 modules.json                             |  4 +++
 modules/nf-core/bracken/bracken/main.nf  | 45 ++++++++++++++++++++++++
 modules/nf-core/bracken/bracken/meta.yml | 45 ++++++++++++++++++++++++
 3 files changed, 94 insertions(+)
 create mode 100644 modules/nf-core/bracken/bracken/main.nf
 create mode 100644 modules/nf-core/bracken/bracken/meta.yml

diff --git a/modules.json b/modules.json
index 10d6c74..8f89a11 100644
--- a/modules.json
+++ b/modules.json
@@ -21,6 +21,10 @@
                         "branch": "master",
                         "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
                     },
+                    "bracken/bracken": {
+                        "branch": "master",
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                    },
                     "cat/fastq": {
                         "branch": "master",
                         "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
diff --git a/modules/nf-core/bracken/bracken/main.nf b/modules/nf-core/bracken/bracken/main.nf
new file mode 100644
index 0000000..5e08418
--- /dev/null
+++ b/modules/nf-core/bracken/bracken/main.nf
@@ -0,0 +1,45 @@
+process BRACKEN_BRACKEN {
+    tag "$meta.id"
+    label 'process_low'
+
+    // WARN: Version information not provided by tool on CLI.
+    // Please update version string below when bumping container versions.
+    conda (params.enable_conda ? "bioconda::bracken=2.7" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/bracken:2.7--py39hc16433a_0':
+        'quay.io/biocontainers/bracken:2.7--py39hc16433a_0' }"
+
+    input:
+    tuple val(meta), path(kraken_report)
+    path database
+
+    output:
+    tuple val(meta), path(bracken_report), emit: reports
+    path "versions.yml"          , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def threshold = meta.threshold ?: 10
+    def taxonomic_level = meta.taxonomic_level ?: 'S'
+    def read_length = meta.read_length ?: 150
+    def args = task.ext.args ?: "-l ${taxonomic_level} -t ${threshold} -r ${read_length}"
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    bracken_report = "${prefix}_${taxonomic_level}.tsv"
+    // WARN: Version information not provided by tool on CLI.
+    // Please update version string below when bumping container versions.
+    def VERSION = '2.7'
+    """
+    bracken \\
+        ${args} \\
+        -d '${database}' \\
+        -i '${kraken_report}' \\
+        -o '${bracken_report}'
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        bracken: ${VERSION}
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/bracken/bracken/meta.yml b/modules/nf-core/bracken/bracken/meta.yml
new file mode 100644
index 0000000..1931161
--- /dev/null
+++ b/modules/nf-core/bracken/bracken/meta.yml
@@ -0,0 +1,45 @@
+name: bracken_bracken
+description: Re-estimate taxonomic abundance of metagenomic samples analyzed by kraken.
+keywords:
+  - sort
+tools:
+  - bracken:
+      description: Bracken (Bayesian Reestimation of Abundance with KrakEN) is a highly accurate statistical method that computes the abundance of species in DNA sequences from a metagenomics sample.
+      homepage: https://ccb.jhu.edu/software/bracken/
+      documentation: https://ccb.jhu.edu/software/bracken/index.shtml?t=manual
+      tool_dev_url: https://github.com/jenniferlu717/Bracken
+      doi: "10.7717/peerj-cs.104"
+      licence: ["GPL v3"]
+
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - kraken_report:
+      type: file
+      description: TSV file with six columns coming from kraken2 output
+      pattern: "*.{tsv}"
+  - database:
+      type: file
+      description: Directory containing the kraken2/Bracken files for analysis
+      pattern: "*"
+
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+  - reports:
+      type: file
+      description: TSV output report of the re-estimated abundances
+      pattern: "*.{tsv}"
+
+authors:
+  - "@Midnighter"

From 4f728648f59c35f7282e832090302047c7786f2a Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Fri, 14 Oct 2022 10:56:14 +0200
Subject: [PATCH 390/789] feat: add process to standardize kraken report

---
 modules/local/kraken_standard_report.nf | 24 ++++++++++++++++++++++++
 1 file changed, 24 insertions(+)
 create mode 100644 modules/local/kraken_standard_report.nf

diff --git a/modules/local/kraken_standard_report.nf b/modules/local/kraken_standard_report.nf
new file mode 100644
index 0000000..93109aa
--- /dev/null
+++ b/modules/local/kraken_standard_report.nf
@@ -0,0 +1,24 @@
+process KRAKEN_STANDARD_REPORT {
+    tag "$meta.id"
+    label 'process_low'
+
+    conda (params.enable_conda ? 'conda-forge::sed=4.8' : null)
+    if (workflow.containerEngine == 'singularity' && !params.singularity_pull_docker_container) {
+        container 'https://containers.biocontainers.pro/s3/SingImgsRepo/biocontainers/v1.2.0_cv2/biocontainers_v1.2.0_cv2.img'
+    } else {
+        container 'biocontainers/biocontainers:v1.2.0_cv2'
+    }
+
+    input:
+    tuple val(meta), path(report)
+
+    output:
+    tuple val(meta), path(result), emit: report
+
+    script:
+    result = "${report.baseName}_standardized.kraken2.report.txt"
+    """
+    cut -f1-3,6-8 "${report}" > "${result}"
+    """
+}
+

From ca38d002dee9510ca687403a617aec744ab9d46d Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Fri, 14 Oct 2022 12:18:07 +0200
Subject: [PATCH 391/789] feat: integrate Bracken into the profiling pipeline

---
 conf/modules.config                     | 11 +++++++++-
 modules/local/kraken_standard_report.nf | 18 +++++++++-------
 nextflow.config                         |  4 ++++
 subworkflows/local/profiling.nf         | 28 +++++++++++++++++++++++++
 4 files changed, 52 insertions(+), 9 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index d2a0051..fff28ea 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -277,7 +277,7 @@ process {
     }
 
     withName: KRAKEN2_KRAKEN2 {
-        ext.args = { "${meta.db_params}" }
+        ext.args = params.kraken2_save_minimizers ? { "${meta.db_params} --report-minimizer-data" } : { "${meta.db_params}" }
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
             path: { "${params.outdir}/kraken2/${meta.db_name}/" },
@@ -286,6 +286,15 @@ process {
         ]
     }
 
+    withName: BRACKEN_BRACKEN {
+        errorStrategy = 'ignore'
+        publishDir = [
+            path: { "${params.outdir}/bracken/${meta.db_name}/" },
+            mode: params.publish_dir_mode,
+            pattern: '*.tsv'
+        ]
+    }
+
     withName: KRAKENTOOLS_COMBINEKREPORTS {
         ext.prefix = { "kraken2_${meta.id}_combined_reports" }
         publishDir = [
diff --git a/modules/local/kraken_standard_report.nf b/modules/local/kraken_standard_report.nf
index 93109aa..ab47d81 100644
--- a/modules/local/kraken_standard_report.nf
+++ b/modules/local/kraken_standard_report.nf
@@ -1,13 +1,11 @@
 process KRAKEN_STANDARD_REPORT {
     tag "$meta.id"
-    label 'process_low'
+    label 'process_single'
 
     conda (params.enable_conda ? 'conda-forge::sed=4.8' : null)
-    if (workflow.containerEngine == 'singularity' && !params.singularity_pull_docker_container) {
-        container 'https://containers.biocontainers.pro/s3/SingImgsRepo/biocontainers/v1.2.0_cv2/biocontainers_v1.2.0_cv2.img'
-    } else {
-        container 'biocontainers/biocontainers:v1.2.0_cv2'
-    }
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://containers.biocontainers.pro/s3/SingImgsRepo/biocontainers/v1.2.0_cv2/biocontainers_v1.2.0_cv2.img' :
+        'biocontainers/biocontainers:v1.2.0_cv2' }"
 
     input:
     tuple val(meta), path(report)
@@ -15,10 +13,14 @@ process KRAKEN_STANDARD_REPORT {
     output:
     tuple val(meta), path(result), emit: report
 
+    when:
+    task.ext.when == null || task.ext.when
+
     script:
-    result = "${report.baseName}_standardized.kraken2.report.txt"
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    result = "${prefix}_standardized.kraken2.report.txt"
     """
-    cut -f1-3,6-8 "${report}" > "${result}"
+    cut -f1-3,6-8 '${report}' > '${result}'
     """
 }
 
diff --git a/nextflow.config b/nextflow.config
index efb5aff..4f32a00 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -114,6 +114,10 @@ params {
     run_kraken2                     = false
     kraken2_save_reads              = false // added directly to module in profiling.nf
     kraken2_save_readclassification = false // added directly to module in profiling.nf
+    kraken2_save_minimizers         = false
+
+    // Bracken
+    run_bracken = true
 
     // centrifuge
     run_centrifuge             = false
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 11c4a72..970c128 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -5,6 +5,7 @@
 include { MALT_RUN                              } from '../../modules/nf-core/malt/run/main'
 include { MEGAN_RMA2INFO as MEGAN_RMA2INFO_TSV  } from '../../modules/nf-core/megan/rma2info/main'
 include { KRAKEN2_KRAKEN2                       } from '../../modules/nf-core/kraken2/kraken2/main'
+include { BRACKEN_BRACKEN                       } from '../../modules/nf-core/bracken/bracken/main'
 include { CENTRIFUGE_CENTRIFUGE                 } from '../../modules/nf-core/centrifuge/centrifuge/main'
 include { CENTRIFUGE_KREPORT                    } from '../../modules/nf-core/centrifuge/kreport/main'
 include { METAPHLAN3_METAPHLAN3                 } from '../../modules/nf-core/metaphlan3/metaphlan3/main'
@@ -133,6 +134,33 @@ workflow PROFILING {
 
     }
 
+    if ( params.run_kraken2 && params.run_bracken ) {
+
+        def ch_input_for_bracken
+
+        if (params.kraken2_save_minimizers) {
+            ch_input_for_bracken = KRAKEN_STANDARD_REPORT(KRAKEN2_KRAKEN2.out.report).report
+        } else {
+            ch_input_for_bracken = KRAKEN2_KRAKEN2.out.report
+        }
+
+        ch_input_for_bracken = ch_input_for_bracken
+            .combine(
+                databases.filter { meta, db ->
+                    meta['tool'] == 'bracken'
+                }
+            )
+            .multiMap { meta, report, db_meta, db ->
+                report: [meta + db_meta, report]
+                db: db
+            }
+
+        BRACKEN_BRACKEN(ch_input_for_bracken.report, ch_input_for_bracken.db)
+        ch_versions     = ch_versions.mix(BRACKEN_BRACKEN.out.versions.first())
+        ch_raw_profiles = ch_raw_profiles.mix(BRACKEN_BRACKEN.out.reports)
+
+    }
+
     if ( params.run_centrifuge ) {
 
         ch_input_for_centrifuge =  ch_input_for_profiling.centrifuge

From 767663d975040baed045d7dcc49a290e292b54a8 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Fri, 14 Oct 2022 12:18:55 +0200
Subject: [PATCH 392/789] chore: add Bracken to test configs

---
 conf/test.config                 | 1 +
 conf/test_nopreprocessing.config | 1 +
 conf/test_noprofiling.config     | 1 +
 conf/test_nothing.config         | 1 +
 conf/test_pep.config             | 1 +
 5 files changed, 5 insertions(+)

diff --git a/conf/test.config b/conf/test.config
index d5dcd67..777d9bf 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -34,6 +34,7 @@ params {
     hostremoval_reference                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/homo_sapiens/genome/genome.fasta'
     run_kaiju                             = true
     run_kraken2                           = true
+    run_bracken                           = true
     run_malt                              = true
     run_metaphlan3                        = true
     run_centrifuge                        = true
diff --git a/conf/test_nopreprocessing.config b/conf/test_nopreprocessing.config
index 3908b56..357f76f 100644
--- a/conf/test_nopreprocessing.config
+++ b/conf/test_nopreprocessing.config
@@ -33,6 +33,7 @@ params {
     hostremoval_reference                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/homo_sapiens/genome/genome.fasta'
     run_kaiju                             = true
     run_kraken2                           = true
+    run_bracken                           = true
     run_malt                              = true
     run_metaphlan3                        = true
     run_centrifuge                        = true
diff --git a/conf/test_noprofiling.config b/conf/test_noprofiling.config
index 12c7185..59ed0da 100644
--- a/conf/test_noprofiling.config
+++ b/conf/test_noprofiling.config
@@ -34,6 +34,7 @@ params {
     hostremoval_reference                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/homo_sapiens/genome/genome.fasta'
     run_kaiju                             = false
     run_kraken2                           = false
+    run_bracken                           = false
     run_malt                              = false
     run_metaphlan3                        = false
     run_centrifuge                        = false
diff --git a/conf/test_nothing.config b/conf/test_nothing.config
index c0ecece..df09613 100644
--- a/conf/test_nothing.config
+++ b/conf/test_nothing.config
@@ -33,6 +33,7 @@ params {
     hostremoval_reference                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/homo_sapiens/genome/genome.fasta'
     run_kaiju                             = false
     run_kraken2                           = false
+    run_bracken                           = false
     run_malt                              = false
     run_metaphlan3                        = false
     run_centrifuge                        = false
diff --git a/conf/test_pep.config b/conf/test_pep.config
index 7f8c95d..762ebb3 100644
--- a/conf/test_pep.config
+++ b/conf/test_pep.config
@@ -19,6 +19,7 @@ params {
     hostremoval_reference                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/homo_sapiens/genome/genome.fasta'
     run_kaiju                             = true
     run_kraken2                           = true
+    run_bracken                           = true
     run_malt                              = true
     run_metaphlan3                        = true
     run_centrifuge                        = true

From 7f8180f45841cc3ffb40ca70c564a8d14ed254f7 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Fri, 14 Oct 2022 12:49:07 +0200
Subject: [PATCH 393/789] fix: emit tool versions

---
 modules/local/kraken_standard_report.nf | 6 ++++++
 1 file changed, 6 insertions(+)

diff --git a/modules/local/kraken_standard_report.nf b/modules/local/kraken_standard_report.nf
index ab47d81..aada6fb 100644
--- a/modules/local/kraken_standard_report.nf
+++ b/modules/local/kraken_standard_report.nf
@@ -12,6 +12,7 @@ process KRAKEN_STANDARD_REPORT {
 
     output:
     tuple val(meta), path(result), emit: report
+    path 'versions.yml'          , emit: versions
 
     when:
     task.ext.when == null || task.ext.when
@@ -21,6 +22,11 @@ process KRAKEN_STANDARD_REPORT {
     result = "${prefix}_standardized.kraken2.report.txt"
     """
     cut -f1-3,6-8 '${report}' > '${result}'
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        cut: \$(echo \$(cut --version 2>&1) | sed 's/^.*(GNU coreutils) //; s/ Copyright.*\$//')
+    END_VERSIONS
     """
 }
 

From c4f64682751383b6144d14d05cfa48e2d10b6235 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Fri, 14 Oct 2022 12:55:26 +0200
Subject: [PATCH 394/789] chore: update parameters schema

---
 nextflow_schema.json | 61 +++++++++++++++++++++++++++++++++++++++-----
 1 file changed, 54 insertions(+), 7 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index f88443f..c40ce0e 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,7 +10,11 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["input", "outdir", "databases"],
+            "required": [
+                "input",
+                "databases",
+                "outdir"
+            ],
             "properties": {
                 "input": {
                     "type": "string",
@@ -80,7 +84,10 @@
                 "shortread_qc_tool": {
                     "type": "string",
                     "default": "fastp",
-                    "enum": ["fastp", "adapterremoval"],
+                    "enum": [
+                        "fastp",
+                        "adapterremoval"
+                    ],
                     "fa_icon": "fas fa-tools",
                     "description": "Specify which tool to use for short-read QC"
                 },
@@ -133,7 +140,11 @@
                 "shortread_complexityfilter_tool": {
                     "type": "string",
                     "default": "bbduk",
-                    "enum": ["bbduk", "prinseqplusplus", "fastp"],
+                    "enum": [
+                        "bbduk",
+                        "prinseqplusplus",
+                        "fastp"
+                    ],
                     "fa_icon": "fas fa-hammer",
                     "description": "Specify which tool to use for complexity filtering"
                 },
@@ -167,7 +178,10 @@
                 "shortread_complexityfilter_prinseqplusplus_mode": {
                     "type": "string",
                     "default": "entropy",
-                    "enum": ["entropy", "dust"],
+                    "enum": [
+                        "entropy",
+                        "dust"
+                    ],
                     "fa_icon": "fas fa-check-square",
                     "description": "Specify the complexity filter mode for PRINSEQ++"
                 },
@@ -341,7 +355,15 @@
                 "diamond_output_format": {
                     "type": "string",
                     "default": "tsv",
-                    "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"],
+                    "enum": [
+                        "blast",
+                        "xml",
+                        "txt",
+                        "daa",
+                        "sam",
+                        "tsv",
+                        "paf"
+                    ],
                     "fa_icon": "fas fa-file",
                     "description": "Specify output format from DIAMOND profiling.",
                     "help_text": "DIAMOND can produce output in a number of different formats, you can specify here which to produce.\n\nNote that DIAMOND can only produce one format at a time, and depending on which you pick, some downstream steps may not be executed. For example, selecting `daa` or `sam` will mean you will not get a tabular taxonomic profile as with the other tools.\n\nWill be overriden by `--diamond_save_reads.`\n\n> Modifies tool parameter(s):\n> - diamond blastx: `--outfmt`"
@@ -360,7 +382,14 @@
                 "kaiju_taxon_rank": {
                     "type": "string",
                     "default": "species",
-                    "enum": ["phylum", "class", "order", "family", "genus", "species"],
+                    "enum": [
+                        "phylum",
+                        "class",
+                        "order",
+                        "family",
+                        "genus",
+                        "species"
+                    ],
                     "fa_icon": "fas fa-tag",
                     "description": "Specify taxonomic rank to be displayed in Kaiju taxon table",
                     "help_text": "Specify the taxonomic level(s) to be displayed in the resulting Kaiju taxon table, as generated by the kaiju2table helper tool.\n\nThis can be either a single level (e.g. `species`), or a comma separated list to display the full taxonomic path (e.g. `superkingdom,phylum,class,order,family,genus,species.`).\n\n> Modifies tool parameter(s):\n> - kaiju2table: `-l`"
@@ -382,6 +411,17 @@
                     "description": "Turn on saving of Kraken2 per-read taxonomic assignment file",
                     "help_text": "Save a text file that contains a list of each read that had a taxonomic assignment, with information on specific taxonomic taxonomic assignment that that read recieved.\n\n> Modifies tool parameter(s):\n> - kraken2: `--output`"
                 },
+                "kraken2_save_minimizers": {
+                    "type": "boolean",
+                    "description": "Turn on saving minimizer information in the kraken2 report thus increasing to an eight column layout.",
+                    "fa_icon": "fas fa-save",
+                    "help_text": "Turn on saving minimizer information in the kraken2 report thus increasing to an eight column layout.\n\nAdds `--report-minimizer-data` to the kraken2 command."
+                },
+                "run_bracken": {
+                    "type": "boolean",
+                    "description": "Post-process kraken2 reports with Bracken.",
+                    "fa_icon": "fas fa-toggle-on"
+                },
                 "run_malt": {
                     "type": "boolean",
                     "fa_icon": "fas fa-toggle-on",
@@ -555,7 +595,14 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
+                    "enum": [
+                        "symlink",
+                        "rellink",
+                        "link",
+                        "copy",
+                        "copyNoFollow",
+                        "move"
+                    ],
                     "hidden": true
                 },
                 "email_on_fail": {

From 9dc819ceff9db68b214573062f07a7dad60ef593 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Fri, 14 Oct 2022 13:16:54 +0200
Subject: [PATCH 395/789] style: reformat schema

---
 nextflow_schema.json | 50 +++++++-------------------------------------
 1 file changed, 7 insertions(+), 43 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index c40ce0e..97a03b5 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,11 +10,7 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": [
-                "input",
-                "databases",
-                "outdir"
-            ],
+            "required": ["input", "databases", "outdir"],
             "properties": {
                 "input": {
                     "type": "string",
@@ -84,10 +80,7 @@
                 "shortread_qc_tool": {
                     "type": "string",
                     "default": "fastp",
-                    "enum": [
-                        "fastp",
-                        "adapterremoval"
-                    ],
+                    "enum": ["fastp", "adapterremoval"],
                     "fa_icon": "fas fa-tools",
                     "description": "Specify which tool to use for short-read QC"
                 },
@@ -140,11 +133,7 @@
                 "shortread_complexityfilter_tool": {
                     "type": "string",
                     "default": "bbduk",
-                    "enum": [
-                        "bbduk",
-                        "prinseqplusplus",
-                        "fastp"
-                    ],
+                    "enum": ["bbduk", "prinseqplusplus", "fastp"],
                     "fa_icon": "fas fa-hammer",
                     "description": "Specify which tool to use for complexity filtering"
                 },
@@ -178,10 +167,7 @@
                 "shortread_complexityfilter_prinseqplusplus_mode": {
                     "type": "string",
                     "default": "entropy",
-                    "enum": [
-                        "entropy",
-                        "dust"
-                    ],
+                    "enum": ["entropy", "dust"],
                     "fa_icon": "fas fa-check-square",
                     "description": "Specify the complexity filter mode for PRINSEQ++"
                 },
@@ -355,15 +341,7 @@
                 "diamond_output_format": {
                     "type": "string",
                     "default": "tsv",
-                    "enum": [
-                        "blast",
-                        "xml",
-                        "txt",
-                        "daa",
-                        "sam",
-                        "tsv",
-                        "paf"
-                    ],
+                    "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"],
                     "fa_icon": "fas fa-file",
                     "description": "Specify output format from DIAMOND profiling.",
                     "help_text": "DIAMOND can produce output in a number of different formats, you can specify here which to produce.\n\nNote that DIAMOND can only produce one format at a time, and depending on which you pick, some downstream steps may not be executed. For example, selecting `daa` or `sam` will mean you will not get a tabular taxonomic profile as with the other tools.\n\nWill be overriden by `--diamond_save_reads.`\n\n> Modifies tool parameter(s):\n> - diamond blastx: `--outfmt`"
@@ -382,14 +360,7 @@
                 "kaiju_taxon_rank": {
                     "type": "string",
                     "default": "species",
-                    "enum": [
-                        "phylum",
-                        "class",
-                        "order",
-                        "family",
-                        "genus",
-                        "species"
-                    ],
+                    "enum": ["phylum", "class", "order", "family", "genus", "species"],
                     "fa_icon": "fas fa-tag",
                     "description": "Specify taxonomic rank to be displayed in Kaiju taxon table",
                     "help_text": "Specify the taxonomic level(s) to be displayed in the resulting Kaiju taxon table, as generated by the kaiju2table helper tool.\n\nThis can be either a single level (e.g. `species`), or a comma separated list to display the full taxonomic path (e.g. `superkingdom,phylum,class,order,family,genus,species.`).\n\n> Modifies tool parameter(s):\n> - kaiju2table: `-l`"
@@ -595,14 +566,7 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": [
-                        "symlink",
-                        "rellink",
-                        "link",
-                        "copy",
-                        "copyNoFollow",
-                        "move"
-                    ],
+                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
                     "hidden": true
                 },
                 "email_on_fail": {

From 4f2799885207b278c2795c8a4011a750ae4a8606 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Fri, 14 Oct 2022 14:37:52 +0200
Subject: [PATCH 396/789] Update usage.md

---
 docs/usage.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/usage.md b/docs/usage.md
index 4f4c1ac..9194220 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -230,7 +230,7 @@ You can optionally save the FASTQ output of the run merging with the `--save_run
 
 ###### MALT
 
-nf-core/taxprofiler uses MALT 0.4.1, which is a compatively old version. However it has been found that the most recent version of MALT (0.5.\*), at the time of writing, is broken. [The the LCA step appears not to be executed](http://megan.informatik.uni-tuebingen.de/t/lca-placement-failure-with-malt-v-0-5-2-and-0-5-3/1996/3), pushing all hits to the leaves of the taxonomy. However, if you need to use a more recent taxonomy map file with your databases, the output of `malt-build` from MALT 0.5.3 should be still be compatible with `malt-run` of 0.4.1.
+nf-core/taxprofiler uses MALT 0.4.1, which is a compatively old version. However it has been found that the most recent version of MALT (0.5.\*), at the time of writing, is broken. [The LCA step appears not to be executed](http://megan.informatik.uni-tuebingen.de/t/lca-placement-failure-with-malt-v-0-5-2-and-0-5-3/1996/3), pushing all hits to the leaves of the taxonomy. However, if you need to use a more recent taxonomy map file with your databases, the output of `malt-build` from MALT 0.5.3 should be still be compatible with `malt-run` of 0.4.1.
 
 ### Updating the pipeline
 

From 95621ebd8ad4b89e2cdad0594f64125d07ac3f66 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Fri, 14 Oct 2022 14:47:08 +0200
Subject: [PATCH 397/789] fix: include local module

---
 subworkflows/local/profiling.nf | 1 +
 1 file changed, 1 insertion(+)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 970c128..4d49ce2 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -5,6 +5,7 @@
 include { MALT_RUN                              } from '../../modules/nf-core/malt/run/main'
 include { MEGAN_RMA2INFO as MEGAN_RMA2INFO_TSV  } from '../../modules/nf-core/megan/rma2info/main'
 include { KRAKEN2_KRAKEN2                       } from '../../modules/nf-core/kraken2/kraken2/main'
+include { KRAKEN_STANDARD_REPORT                } from '../../modules/local/kraken_standard_report'
 include { BRACKEN_BRACKEN                       } from '../../modules/nf-core/bracken/bracken/main'
 include { CENTRIFUGE_CENTRIFUGE                 } from '../../modules/nf-core/centrifuge/centrifuge/main'
 include { CENTRIFUGE_KREPORT                    } from '../../modules/nf-core/centrifuge/kreport/main'

From 563b34c9c38535a11a3c14d488fcd97519972d81 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Fri, 14 Oct 2022 14:48:27 +0200
Subject: [PATCH 398/789] refactor: rename process to kraken2

---
 .../{kraken_standard_report.nf => kraken2_standard_report.nf} | 2 +-
 subworkflows/local/profiling.nf                               | 4 ++--
 2 files changed, 3 insertions(+), 3 deletions(-)
 rename modules/local/{kraken_standard_report.nf => kraken2_standard_report.nf} (96%)

diff --git a/modules/local/kraken_standard_report.nf b/modules/local/kraken2_standard_report.nf
similarity index 96%
rename from modules/local/kraken_standard_report.nf
rename to modules/local/kraken2_standard_report.nf
index aada6fb..09a98c1 100644
--- a/modules/local/kraken_standard_report.nf
+++ b/modules/local/kraken2_standard_report.nf
@@ -1,4 +1,4 @@
-process KRAKEN_STANDARD_REPORT {
+process KRAKEN2_STANDARD_REPORT {
     tag "$meta.id"
     label 'process_single'
 
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 4d49ce2..0d46e0c 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -5,7 +5,7 @@
 include { MALT_RUN                              } from '../../modules/nf-core/malt/run/main'
 include { MEGAN_RMA2INFO as MEGAN_RMA2INFO_TSV  } from '../../modules/nf-core/megan/rma2info/main'
 include { KRAKEN2_KRAKEN2                       } from '../../modules/nf-core/kraken2/kraken2/main'
-include { KRAKEN_STANDARD_REPORT                } from '../../modules/local/kraken_standard_report'
+include { KRAKEN2_STANDARD_REPORT                } from '../../modules/local/kraken2_standard_report'
 include { BRACKEN_BRACKEN                       } from '../../modules/nf-core/bracken/bracken/main'
 include { CENTRIFUGE_CENTRIFUGE                 } from '../../modules/nf-core/centrifuge/centrifuge/main'
 include { CENTRIFUGE_KREPORT                    } from '../../modules/nf-core/centrifuge/kreport/main'
@@ -140,7 +140,7 @@ workflow PROFILING {
         def ch_input_for_bracken
 
         if (params.kraken2_save_minimizers) {
-            ch_input_for_bracken = KRAKEN_STANDARD_REPORT(KRAKEN2_KRAKEN2.out.report).report
+            ch_input_for_bracken = KRAKEN2_STANDARD_REPORT(KRAKEN2_KRAKEN2.out.report).report
         } else {
             ch_input_for_bracken = KRAKEN2_KRAKEN2.out.report
         }

From fd8a0df2a68fb17a0422b281458d1267b824d004 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Mon, 17 Oct 2022 17:16:21 +0200
Subject: [PATCH 399/789] refactor: add warning when run_kraken2 is missing

---
 workflows/taxprofiler.nf | 1 +
 1 file changed, 1 insertion(+)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 8b9edb7..f6dc3ed 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -41,6 +41,7 @@ if (params.longread_hostremoval_index      ) { ch_longread_reference_index  = fi
 if (params.diamond_save_reads              ) log.warn "[nf-core/taxprofiler] DIAMOND only allows output of a single format. As --diamond_save_reads supplied, only aligned reads in SAM format will be produced, no taxonomic profiles will be available."
 
 if (params.run_malt && params.run_krona && !params.krona_taxonomy_directory) log.warn "[nf-core/taxprofiler] Krona can only be run on MALT output if path to Krona taxonomy database supplied to --krona_taxonomy_directory. Krona will not be executed in this run for MALT."
+if (params.run_bracken && !params.run_kraken2) log.warn '[nf-core/taxprofiler] You are attempting to run Bracken without running kraken2. This is not possible! Please set --run_kraken2 as well.'
 
 /*
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

From 48b00b7d624d9d37a4b891a578ea23e805bf6543 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Mon, 17 Oct 2022 17:33:24 +0200
Subject: [PATCH 400/789] refactor: create standardized Bracken reports

---
 .../local/standardisation_profiles.nf         | 25 +++++++++++++++++--
 1 file changed, 23 insertions(+), 2 deletions(-)

diff --git a/subworkflows/local/standardisation_profiles.nf b/subworkflows/local/standardisation_profiles.nf
index cbb0fab..f560424 100644
--- a/subworkflows/local/standardisation_profiles.nf
+++ b/subworkflows/local/standardisation_profiles.nf
@@ -3,8 +3,11 @@
 //
 
 include { KAIJU_KAIJU2TABLE                                                     } from '../../modules/nf-core/kaiju/kaiju2table/main'
-include { KRAKENTOOLS_COMBINEKREPORTS                                           } from '../../modules/nf-core/krakentools/combinekreports/main'
-include { KRAKENTOOLS_COMBINEKREPORTS as KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE } from '../../modules/nf-core/krakentools/combinekreports/main'
+include {
+    KRAKENTOOLS_COMBINEKREPORTS as KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE;
+    KRAKENTOOLS_COMBINEKREPORTS as KRAKENTOOLS_COMBINEKREPORTS_BRACKEN;
+    KRAKENTOOLS_COMBINEKREPORTS
+} from '../../modules/nf-core/krakentools/combinekreports/main'
 include { METAPHLAN3_MERGEMETAPHLANTABLES                                       } from '../../modules/nf-core/metaphlan3/mergemetaphlantables/main'
 include { MOTUS_MERGE                                                           } from '../../modules/nf-core/motus/merge/main'
 
@@ -27,6 +30,7 @@ workflow STANDARDISATION_PROFILES {
         .branch {
             motus: it[0]['tool'] == 'motus'
             kraken2: it[0]['tool'] == 'kraken2'
+            bracken: it[0]['tool'] == 'bracken'
             centrifuge: it[0]['tool'] == 'centrifuge'
             metaphlan3: it[0]['tool'] == 'metaphlan3'
             unknown: true
@@ -98,6 +102,23 @@ workflow STANDARDISATION_PROFILES {
     ch_multiqc_files = ch_multiqc_files.mix( KRAKENTOOLS_COMBINEKREPORTS.out.txt )
     ch_versions = ch_versions.mix( KRAKENTOOLS_COMBINEKREPORTS.out.versions )
 
+    // Bracken
+
+    // Collect and replace id for db_name for prefix
+    // Have to sort by size to ensure first file actually has hits otherwise
+    // the script fails
+    ch_profiles_for_bracken = ch_input_profiles.bracken
+                                .map { [it[0]['db_name'], it[1]] }
+                                .groupTuple(sort: {-it.size()} )
+                                .map {
+                                    [[id:it[0]], it[1]]
+                                }
+
+    KRAKENTOOLS_COMBINEKREPORTS_BRACKEN ( ch_profiles_for_bracken )
+    ch_standardised_tables = ch_standardised_tables.mix( KRAKENTOOLS_COMBINEKREPORTS_BRACKEN.out.txt )
+    ch_multiqc_files = ch_multiqc_files.mix( KRAKENTOOLS_COMBINEKREPORTS_BRACKEN.out.txt )
+    ch_versions = ch_versions.mix( KRAKENTOOLS_COMBINEKREPORTS_BRACKEN.out.versions )
+
     // MetaPhlAn3
 
     ch_profiles_for_metaphlan3 = ch_input_profiles.metaphlan3

From 8768a16d63231e07daf3d8cf8fbf1afd930b2a1c Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Mon, 17 Oct 2022 17:35:41 +0200
Subject: [PATCH 401/789] refactor: turn warning into error

---
 workflows/taxprofiler.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index f6dc3ed..12ee19f 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -41,7 +41,7 @@ if (params.longread_hostremoval_index      ) { ch_longread_reference_index  = fi
 if (params.diamond_save_reads              ) log.warn "[nf-core/taxprofiler] DIAMOND only allows output of a single format. As --diamond_save_reads supplied, only aligned reads in SAM format will be produced, no taxonomic profiles will be available."
 
 if (params.run_malt && params.run_krona && !params.krona_taxonomy_directory) log.warn "[nf-core/taxprofiler] Krona can only be run on MALT output if path to Krona taxonomy database supplied to --krona_taxonomy_directory. Krona will not be executed in this run for MALT."
-if (params.run_bracken && !params.run_kraken2) log.warn '[nf-core/taxprofiler] You are attempting to run Bracken without running kraken2. This is not possible! Please set --run_kraken2 as well.'
+if (params.run_bracken && !params.run_kraken2) exit 1, 'ERROR: [nf-core/taxprofiler] You are attempting to run Bracken without running kraken2. This is not possible! Please set --run_kraken2 as well.'
 
 /*
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

From 8eddb32b8807db582ca7fd1e31074c50788162ba Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Tue, 18 Oct 2022 17:43:16 +0200
Subject: [PATCH 402/789] Add Falco as an alternative to FastQC

---
 .github/workflows/ci.yml                      |  1 +
 CITATIONS.md                                  |  4 ++
 README.md                                     |  2 +-
 conf/modules.config                           | 18 ++++++
 docs/usage.md                                 |  4 +-
 modules.json                                  |  4 ++
 modules/nf-core/falco/main.nf                 | 57 +++++++++++++++++++
 modules/nf-core/falco/meta.yml                | 52 +++++++++++++++++
 nextflow_schema.json                          | 50 +++++++++++++---
 subworkflows/local/longread_preprocessing.nf  | 12 +++-
 subworkflows/local/shortread_preprocessing.nf | 16 ++++--
 workflows/taxprofiler.nf                      | 19 ++++---
 12 files changed, 217 insertions(+), 22 deletions(-)
 create mode 100644 modules/nf-core/falco/main.nf
 create mode 100644 modules/nf-core/falco/meta.yml

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 5cea5b7..344505a 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -23,6 +23,7 @@ jobs:
           - "21.10.3"
           - "latest-everything"
         parameters:
+          - "--perform_fastqc_alternative false"
           - "--perform_longread_qc false"
           - "--perform_shortread_qc false"
           - "--shortread_qc_tool fastp"
diff --git a/CITATIONS.md b/CITATIONS.md
index 1ce4ec2..510c74b 100644
--- a/CITATIONS.md
+++ b/CITATIONS.md
@@ -62,6 +62,10 @@
 
 - [FILTLONG](https://github.com/rrwick/Filtlong)
 
+- [Falco](https://doi.org/10.12688/f1000research.21142.2)
+
+> de Sena Brandine G and Smith AD. Falco: high-speed FastQC emulation for quality control of sequencing data. F1000Research 2021, 8:1874
+
 ## Software packaging/containerisation tools
 
 - [Anaconda](https://anaconda.com)
diff --git a/README.md b/README.md
index 2bd45a9..e17c7b5 100644
--- a/README.md
+++ b/README.md
@@ -30,7 +30,7 @@ On release, automated continuous integration tests run the pipeline on a full-si
 
 ![](docs/images/taxprofiler_tube.png)
 
-1. Read QC ([`FastQC`](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/))
+1. Read QC ([`FastQC`](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/) or [`Falco`](https://github.com/smithlabcode/falco) as an alternative option)
 2. Performs optional read pre-processing
    - Adapter clipping and merging (short-read: [fastp](https://github.com/OpenGene/fastp), [AdapterRemoval2](https://github.com/MikkelSchubert/adapterremoval); long-read: [porechop](https://github.com/rrwick/Porechop))
    - Low complexity and quality filtering (short-read: [bbduk](https://jgi.doe.gov/data-and-tools/software-tools/bbtools/), [PRINSEQ++](https://github.com/Adrian-Cantu/PRINSEQ-plus-plus); long-read: [Filtlong](https://github.com/rrwick/Filtlong))
diff --git a/conf/modules.config b/conf/modules.config
index d2a0051..1e2058a 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -40,6 +40,24 @@ process {
         ]
     }
 
+    withName: FALCO {
+         ext.prefix = { "${meta.id}_${meta.run_accession}_raw" }
+        publishDir = [
+            path: { "${params.outdir}/falco/raw" },
+            mode: params.publish_dir_mode,
+            pattern: '*.{html,txt}'
+        ]
+    }
+
+    withName: FALCO_PROCESSED {
+        ext.prefix = { "${meta.id}_${meta.run_accession}_processed" }
+        publishDir = [
+            path: { "${params.outdir}/falco/processed" },
+            mode: params.publish_dir_mode,
+            pattern: '*.{html,txt}'
+        ]
+    }
+
     withName: FASTP_SINGLE {
         ext.args   = [
             // trimming options
diff --git a/docs/usage.md b/docs/usage.md
index 9194220..7478636 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -165,7 +165,9 @@ work                # Directory containing the nextflow working files
 .nextflow_log       # Log file from Nextflow
 # Other nextflow hidden files, eg. history of pipeline runs and old logs.
 ```
+### Sequencing quality control
 
+nf-core taxprofiler offers [`Falco`](https://github.com/smithlabcode/falco] as an alternative option to [`FastQC`](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/).
 ### Preprocessing Steps
 
 nf-core/taxprofiler offers four main preprocessing steps
@@ -179,7 +181,7 @@ nf-core/taxprofiler offers four main preprocessing steps
 
 Raw sequencing read processing in the form of adapter clipping and paired-end read merging can be activated via the `--perform_shortread_qc` or `--perform_longread_qc` flags.
 
-It is highly recommended to run this on raw reads to remove artefacts from sequencing that can cause false positive identification of taxa (e.g. contaminated reference genomes) and/or skews in taxonomic abundance profiles.
+It is highly recommended to run this on raw reads to remove artifacts from sequencing that can cause false positive identification of taxa (e.g. contaminated reference genomes) and/or skews in taxonomic abundance profiles.
 
 There are currently two options for short-read preprocessing: `fastp` or `adapterremoval`.
 
diff --git a/modules.json b/modules.json
index 10d6c74..aa77c4e 100644
--- a/modules.json
+++ b/modules.json
@@ -49,6 +49,10 @@
                         "branch": "master",
                         "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
                     },
+                    "falco": {
+                        "branch": "master",
+                        "git_sha": "fc959214036403ad83efe7a41d43d0606c445cda"
+                    },
                     "fastp": {
                         "branch": "master",
                         "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
diff --git a/modules/nf-core/falco/main.nf b/modules/nf-core/falco/main.nf
new file mode 100644
index 0000000..1688162
--- /dev/null
+++ b/modules/nf-core/falco/main.nf
@@ -0,0 +1,57 @@
+process FALCO {
+    tag "$meta.id"
+    label 'process_single'
+
+
+    conda (params.enable_conda ? "bioconda::falco=1.2.1" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/falco:1.2.1--h867801b_3':
+        'quay.io/biocontainers/falco:1.2.1--h867801b_3' }"
+
+    input:
+    tuple val(meta), path(reads)
+
+    output:
+    tuple val(meta), path("*.html"), emit: html
+    tuple val(meta), path("*.txt") , emit: txt
+    path  "versions.yml"           , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    if ( reads.toList().size() == 1 ) {
+        """
+        falco $args --threads $task.cpus ${reads} -D ${prefix}_data.txt -S ${prefix}_summary.txt -R ${prefix}_report.html
+
+        cat <<-END_VERSIONS > versions.yml
+        "${task.process}":
+            falco:\$( falco --version | sed -e "s/falco//g" )
+        END_VERSIONS
+        """
+    } else {
+        """
+        falco $args --threads $task.cpus ${reads}
+
+        cat <<-END_VERSIONS > versions.yml
+        "${task.process}":
+            falco:\$( falco --version | sed -e "s/falco//g" )
+        END_VERSIONS
+        """
+    }
+
+    stub:
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    """
+    touch ${prefix}_data.txt
+    touch ${prefix}_fastqc_data.html
+    touch ${prefix}_summary.txt
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        falco: \$( falco --version | sed -e "s/falco v//g" )
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/falco/meta.yml b/modules/nf-core/falco/meta.yml
new file mode 100644
index 0000000..6f77fb1
--- /dev/null
+++ b/modules/nf-core/falco/meta.yml
@@ -0,0 +1,52 @@
+name: falco
+description: Run falco on sequenced reads
+keywords:
+  - quality control
+  - qc
+  - adapters
+  - fastq
+tools:
+  - fastqc:
+      description: "falco is a drop-in C++ implementation of FastQC to assess the quality of sequence reads."
+
+      homepage: "https://falco.readthedocs.io/"
+      documentation: "https://falco.readthedocs.io/"
+      tool_dev_url: "None"
+      doi: ""
+      licence: "['GPL v3']"
+
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - reads:
+      type: file
+      description: |
+        List of input FastQ files of size 1 and 2 for single-end and paired-end data,
+        respectively.
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - html:
+      type: file
+      description: FastQC like report
+      pattern: "*_{fastqc_report.html}"
+  - txt:
+      type: file
+      description: falco report data
+      pattern: "*_{data.txt}"
+  - txt:
+      type: file
+      description: falco summary file
+      pattern: "*_{summary.txt}"
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+authors:
+  - "@lucacozzuto"
diff --git a/nextflow_schema.json b/nextflow_schema.json
index f88443f..f48ed4a 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,7 +10,11 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["input", "outdir", "databases"],
+            "required": [
+                "input",
+                "outdir",
+                "databases"
+            ],
             "properties": {
                 "input": {
                     "type": "string",
@@ -80,7 +84,10 @@
                 "shortread_qc_tool": {
                     "type": "string",
                     "default": "fastp",
-                    "enum": ["fastp", "adapterremoval"],
+                    "enum": [
+                        "fastp",
+                        "adapterremoval"
+                    ],
                     "fa_icon": "fas fa-tools",
                     "description": "Specify which tool to use for short-read QC"
                 },
@@ -133,7 +140,11 @@
                 "shortread_complexityfilter_tool": {
                     "type": "string",
                     "default": "bbduk",
-                    "enum": ["bbduk", "prinseqplusplus", "fastp"],
+                    "enum": [
+                        "bbduk",
+                        "prinseqplusplus",
+                        "fastp"
+                    ],
                     "fa_icon": "fas fa-hammer",
                     "description": "Specify which tool to use for complexity filtering"
                 },
@@ -167,7 +178,10 @@
                 "shortread_complexityfilter_prinseqplusplus_mode": {
                     "type": "string",
                     "default": "entropy",
-                    "enum": ["entropy", "dust"],
+                    "enum": [
+                        "entropy",
+                        "dust"
+                    ],
                     "fa_icon": "fas fa-check-square",
                     "description": "Specify the complexity filter mode for PRINSEQ++"
                 },
@@ -341,7 +355,15 @@
                 "diamond_output_format": {
                     "type": "string",
                     "default": "tsv",
-                    "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"],
+                    "enum": [
+                        "blast",
+                        "xml",
+                        "txt",
+                        "daa",
+                        "sam",
+                        "tsv",
+                        "paf"
+                    ],
                     "fa_icon": "fas fa-file",
                     "description": "Specify output format from DIAMOND profiling.",
                     "help_text": "DIAMOND can produce output in a number of different formats, you can specify here which to produce.\n\nNote that DIAMOND can only produce one format at a time, and depending on which you pick, some downstream steps may not be executed. For example, selecting `daa` or `sam` will mean you will not get a tabular taxonomic profile as with the other tools.\n\nWill be overriden by `--diamond_save_reads.`\n\n> Modifies tool parameter(s):\n> - diamond blastx: `--outfmt`"
@@ -360,7 +382,14 @@
                 "kaiju_taxon_rank": {
                     "type": "string",
                     "default": "species",
-                    "enum": ["phylum", "class", "order", "family", "genus", "species"],
+                    "enum": [
+                        "phylum",
+                        "class",
+                        "order",
+                        "family",
+                        "genus",
+                        "species"
+                    ],
                     "fa_icon": "fas fa-tag",
                     "description": "Specify taxonomic rank to be displayed in Kaiju taxon table",
                     "help_text": "Specify the taxonomic level(s) to be displayed in the resulting Kaiju taxon table, as generated by the kaiju2table helper tool.\n\nThis can be either a single level (e.g. `species`), or a comma separated list to display the full taxonomic path (e.g. `superkingdom,phylum,class,order,family,genus,species.`).\n\n> Modifies tool parameter(s):\n> - kaiju2table: `-l`"
@@ -555,7 +584,14 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
+                    "enum": [
+                        "symlink",
+                        "rellink",
+                        "link",
+                        "copy",
+                        "copyNoFollow",
+                        "move"
+                    ],
                     "hidden": true
                 },
                 "email_on_fail": {
diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf
index ce537e8..cf0d168 100644
--- a/subworkflows/local/longread_preprocessing.nf
+++ b/subworkflows/local/longread_preprocessing.nf
@@ -3,6 +3,8 @@
 //
 
 include { FASTQC as FASTQC_PROCESSED } from '../../modules/nf-core/fastqc/main'
+include { FALCO as FALCO_PROCESSED   } from '../../modules/nf-core/falco/main'
+
 include { PORECHOP                   } from '../../modules/nf-core/porechop/main'
 include { FILTLONG                   } from '../../modules/nf-core/filtlong/main'
 
@@ -52,8 +54,14 @@ workflow LONGREAD_PREPROCESSING {
         ch_multiqc_files = ch_multiqc_files.mix( FILTLONG.out.log )
     }
 
-    FASTQC_PROCESSED ( ch_processed_reads )
-    ch_multiqc_files = ch_multiqc_files.mix( FASTQC_PROCESSED.out.zip )
+    if (params.perform_fastqc_alternative) {
+        FALCO_PROCESSED ( ch_processed_reads )
+        ch_multiqc_files = ch_multiqc_files.mix( FALCO_PROCESSED.out.txt )
+
+    } else {
+        FASTQC_PROCESSED ( ch_processed_reads )
+        ch_multiqc_files = ch_multiqc_files.mix( FASTQC_PROCESSED.out.zip )
+    }
 
     emit:
     reads    = ch_processed_reads   // channel: [ val(meta), [ reads ] ]
diff --git a/subworkflows/local/shortread_preprocessing.nf b/subworkflows/local/shortread_preprocessing.nf
index 859c1d5..a67539a 100644
--- a/subworkflows/local/shortread_preprocessing.nf
+++ b/subworkflows/local/shortread_preprocessing.nf
@@ -5,7 +5,8 @@
 
 include { SHORTREAD_FASTP             } from './shortread_fastp'
 include { SHORTREAD_ADAPTERREMOVAL    } from './shortread_adapterremoval'
-include { FASTQC as FASTQC_PROCESSED       } from '../../modules/nf-core/fastqc/main'
+include { FASTQC as FASTQC_PROCESSED  } from '../../modules/nf-core/fastqc/main'
+include { FALCO as FALCO_PROCESSED    } from '../../modules/nf-core/falco/main'
 
 workflow SHORTREAD_PREPROCESSING {
     take:
@@ -27,9 +28,16 @@ workflow SHORTREAD_PREPROCESSING {
         ch_processed_reads = reads
     }
 
-    FASTQC_PROCESSED ( ch_processed_reads )
-    ch_versions = ch_versions.mix( FASTQC_PROCESSED.out.versions )
-    ch_multiqc_files = ch_multiqc_files.mix( FASTQC_PROCESSED.out.zip )
+    if (params.perform_fastqc_alternative) {
+        FALCO_PROCESSED ( ch_processed_reads )
+        ch_versions = ch_versions.mix( FALCO_PROCESSED.out.versions )
+        ch_multiqc_files = ch_multiqc_files.mix( FALCO_PROCESSED.out.txt )
+
+    } else {
+        FASTQC_PROCESSED ( ch_processed_reads )
+        ch_versions = ch_versions.mix( FASTQC_PROCESSED.out.versions )
+        ch_multiqc_files = ch_multiqc_files.mix( FASTQC_PROCESSED.out.zip )
+    }
 
     emit:
     reads    = ch_processed_reads   // channel: [ val(meta), [ reads ] ]
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 8b9edb7..2435782 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -84,6 +84,7 @@ include { STANDARDISATION_PROFILES      } from '../subworkflows/local/standardis
 // MODULE: Installed directly from nf-core/modules
 //
 include { FASTQC                      } from '../modules/nf-core/fastqc/main'
+include { FALCO                       } from '../modules/nf-core/falco/main'
 include { MULTIQC                     } from '../modules/nf-core/multiqc/main'
 include { CUSTOM_DUMPSOFTWAREVERSIONS } from '../modules/nf-core/custom/dumpsoftwareversions/main'
 include { CAT_FASTQ                   } from '../modules/nf-core/cat/fastq/main'
@@ -120,12 +121,13 @@ workflow TAXPROFILER {
     */
     ch_input_for_fastqc = INPUT_CHECK.out.fastq.mix( INPUT_CHECK.out.nanopore )
 
-    FASTQC (
-        ch_input_for_fastqc
-    )
-
-    ch_versions = ch_versions.mix(FASTQC.out.versions.first())
-
+    if ( params.perform_fastqc_alternative ) {
+        FALCO ( ch_input_for_fastqc )
+        ch_versions = ch_versions.mix(FALCO.out.versions.first())
+    } else {
+        FASTQC ( ch_input_for_fastqc )
+        ch_versions = ch_versions.mix(FASTQC.out.versions.first())
+    }
     /*
         SUBWORKFLOW: PERFORM PREPROCESSING
     */
@@ -254,7 +256,10 @@ workflow TAXPROFILER {
     ch_multiqc_files = ch_multiqc_files.mix(ch_workflow_summary.collectFile(name: 'workflow_summary_mqc.yaml'))
     ch_multiqc_files = ch_multiqc_files.mix(ch_methods_description.collectFile(name: 'methods_description_mqc.yaml'))
     ch_multiqc_files = ch_multiqc_files.mix(CUSTOM_DUMPSOFTWAREVERSIONS.out.mqc_yml.collect())
-    ch_multiqc_files = ch_multiqc_files.mix(FASTQC.out.zip.collect{it[1]}.ifEmpty([]))
+
+    if (!params.perform_fastqc_alternative) {
+        ch_multiqc_files = ch_multiqc_files.mix(FASTQC.out.zip.collect{it[1]}.ifEmpty([]))
+    }
 
     if (params.perform_shortread_qc) {
         ch_multiqc_files = ch_multiqc_files.mix( SHORTREAD_PREPROCESSING.out.mqc.collect{it[1]}.ifEmpty([]) )

From 0481bb9449a1d35a8fe8324811180ef68f0d361f Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Tue, 18 Oct 2022 17:48:40 +0200
Subject: [PATCH 403/789] Prettier

---
 docs/usage.md        |  2 ++
 nextflow_schema.json | 50 +++++++-------------------------------------
 2 files changed, 9 insertions(+), 43 deletions(-)

diff --git a/docs/usage.md b/docs/usage.md
index 7478636..4a44cf4 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -165,9 +165,11 @@ work                # Directory containing the nextflow working files
 .nextflow_log       # Log file from Nextflow
 # Other nextflow hidden files, eg. history of pipeline runs and old logs.
 ```
+
 ### Sequencing quality control
 
 nf-core taxprofiler offers [`Falco`](https://github.com/smithlabcode/falco] as an alternative option to [`FastQC`](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/).
+
 ### Preprocessing Steps
 
 nf-core/taxprofiler offers four main preprocessing steps
diff --git a/nextflow_schema.json b/nextflow_schema.json
index f48ed4a..f88443f 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,11 +10,7 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": [
-                "input",
-                "outdir",
-                "databases"
-            ],
+            "required": ["input", "outdir", "databases"],
             "properties": {
                 "input": {
                     "type": "string",
@@ -84,10 +80,7 @@
                 "shortread_qc_tool": {
                     "type": "string",
                     "default": "fastp",
-                    "enum": [
-                        "fastp",
-                        "adapterremoval"
-                    ],
+                    "enum": ["fastp", "adapterremoval"],
                     "fa_icon": "fas fa-tools",
                     "description": "Specify which tool to use for short-read QC"
                 },
@@ -140,11 +133,7 @@
                 "shortread_complexityfilter_tool": {
                     "type": "string",
                     "default": "bbduk",
-                    "enum": [
-                        "bbduk",
-                        "prinseqplusplus",
-                        "fastp"
-                    ],
+                    "enum": ["bbduk", "prinseqplusplus", "fastp"],
                     "fa_icon": "fas fa-hammer",
                     "description": "Specify which tool to use for complexity filtering"
                 },
@@ -178,10 +167,7 @@
                 "shortread_complexityfilter_prinseqplusplus_mode": {
                     "type": "string",
                     "default": "entropy",
-                    "enum": [
-                        "entropy",
-                        "dust"
-                    ],
+                    "enum": ["entropy", "dust"],
                     "fa_icon": "fas fa-check-square",
                     "description": "Specify the complexity filter mode for PRINSEQ++"
                 },
@@ -355,15 +341,7 @@
                 "diamond_output_format": {
                     "type": "string",
                     "default": "tsv",
-                    "enum": [
-                        "blast",
-                        "xml",
-                        "txt",
-                        "daa",
-                        "sam",
-                        "tsv",
-                        "paf"
-                    ],
+                    "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"],
                     "fa_icon": "fas fa-file",
                     "description": "Specify output format from DIAMOND profiling.",
                     "help_text": "DIAMOND can produce output in a number of different formats, you can specify here which to produce.\n\nNote that DIAMOND can only produce one format at a time, and depending on which you pick, some downstream steps may not be executed. For example, selecting `daa` or `sam` will mean you will not get a tabular taxonomic profile as with the other tools.\n\nWill be overriden by `--diamond_save_reads.`\n\n> Modifies tool parameter(s):\n> - diamond blastx: `--outfmt`"
@@ -382,14 +360,7 @@
                 "kaiju_taxon_rank": {
                     "type": "string",
                     "default": "species",
-                    "enum": [
-                        "phylum",
-                        "class",
-                        "order",
-                        "family",
-                        "genus",
-                        "species"
-                    ],
+                    "enum": ["phylum", "class", "order", "family", "genus", "species"],
                     "fa_icon": "fas fa-tag",
                     "description": "Specify taxonomic rank to be displayed in Kaiju taxon table",
                     "help_text": "Specify the taxonomic level(s) to be displayed in the resulting Kaiju taxon table, as generated by the kaiju2table helper tool.\n\nThis can be either a single level (e.g. `species`), or a comma separated list to display the full taxonomic path (e.g. `superkingdom,phylum,class,order,family,genus,species.`).\n\n> Modifies tool parameter(s):\n> - kaiju2table: `-l`"
@@ -584,14 +555,7 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": [
-                        "symlink",
-                        "rellink",
-                        "link",
-                        "copy",
-                        "copyNoFollow",
-                        "move"
-                    ],
+                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
                     "hidden": true
                 },
                 "email_on_fail": {

From 7881ba9aefdfd541d49d412edc683728bd82a97a Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Tue, 18 Oct 2022 17:50:49 +0200
Subject: [PATCH 404/789] Fix the amount of left-padding spaces

---
 conf/modules.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/conf/modules.config b/conf/modules.config
index 1e2058a..b1d7b87 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -41,7 +41,7 @@ process {
     }
 
     withName: FALCO {
-         ext.prefix = { "${meta.id}_${meta.run_accession}_raw" }
+        ext.prefix = { "${meta.id}_${meta.run_accession}_raw" }
         publishDir = [
             path: { "${params.outdir}/falco/raw" },
             mode: params.publish_dir_mode,

From c7c7a7f6783646a492bb31855d2d47fb36da37f8 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Wed, 19 Oct 2022 16:20:09 +0200
Subject: [PATCH 405/789] refactor: change Bracken prefix to be more specific

---
 conf/modules.config | 1 +
 1 file changed, 1 insertion(+)

diff --git a/conf/modules.config b/conf/modules.config
index fff28ea..7ec9210 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -288,6 +288,7 @@ process {
 
     withName: BRACKEN_BRACKEN {
         errorStrategy = 'ignore'
+        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
             path: { "${params.outdir}/bracken/${meta.db_name}/" },
             mode: params.publish_dir_mode,

From b73b4798600d952575b62a63964b61143b54a438 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Wed, 19 Oct 2022 16:21:36 +0200
Subject: [PATCH 406/789] refactor: handle combined kraken2+bracken tool column

---
 subworkflows/local/profiling.nf | 25 ++++++++++++++++---------
 1 file changed, 16 insertions(+), 9 deletions(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 0d46e0c..5e2a7d2 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -41,7 +41,7 @@ workflow PROFILING {
             .combine(databases)
             .branch {
                 malt:    it[2]['tool'] == 'malt'
-                kraken2: it[2]['tool'] == 'kraken2'
+                kraken2: it[2]['tool'].contains('kraken2')
                 metaphlan3: it[2]['tool'] == 'metaphlan3'
                 centrifuge: it[2]['tool'] == 'centrifuge'
                 kaiju: it[2]['tool'] == 'kaiju'
@@ -131,34 +131,41 @@ workflow PROFILING {
         ch_multiqc_files       = ch_multiqc_files.mix( KRAKEN2_KRAKEN2.out.report )
         ch_versions            = ch_versions.mix( KRAKEN2_KRAKEN2.out.versions.first() )
         ch_raw_classifications = ch_raw_classifications.mix( KRAKEN2_KRAKEN2.out.classified_reads_assignment )
-        ch_raw_profiles        = ch_raw_profiles.mix( KRAKEN2_KRAKEN2.out.report )
+        ch_raw_profiles        = ch_raw_profiles.mix(
+            KRAKEN2_KRAKEN2.out.report
+                // Set the tool to be strictly 'kraken2' instead of potentially 'kraken2+bracken' for downstream use.
+                .map { meta, report -> [meta + [tool: 'kraken2'], report]}
+        )
 
     }
 
     if ( params.run_kraken2 && params.run_bracken ) {
 
-        def ch_input_for_bracken
+        def ch_input_for_bracken = KRAKEN2_KRAKEN2.out.report
+            .filter { meta, report -> meta['tool'].contains('bracken') }
 
         if (params.kraken2_save_minimizers) {
-            ch_input_for_bracken = KRAKEN2_STANDARD_REPORT(KRAKEN2_KRAKEN2.out.report).report
-        } else {
-            ch_input_for_bracken = KRAKEN2_KRAKEN2.out.report
+            ch_input_for_bracken = KRAKEN2_STANDARD_REPORT(ch_input_for_bracken).report
         }
 
         ch_input_for_bracken = ch_input_for_bracken
             .combine(
                 databases.filter { meta, db ->
-                    meta['tool'] == 'bracken'
+                    meta['tool'].contains('bracken')
                 }
             )
             .multiMap { meta, report, db_meta, db ->
-                report: [meta + db_meta, report]
+                report: [meta, report]
                 db: db
             }
 
         BRACKEN_BRACKEN(ch_input_for_bracken.report, ch_input_for_bracken.db)
         ch_versions     = ch_versions.mix(BRACKEN_BRACKEN.out.versions.first())
-        ch_raw_profiles = ch_raw_profiles.mix(BRACKEN_BRACKEN.out.reports)
+        ch_raw_profiles = ch_raw_profiles.mix(
+            BRACKEN_BRACKEN.out.reports
+                // Set the tool to be strictly 'bracken' instead of potentially 'kraken2+bracken' for downstream use.
+                .map { meta, report -> [meta + [tool: 'bracken'], report]}
+        )
 
     }
 

From 8deb7757d8a260fb2bc4c5890a10995181d1bafe Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Wed, 19 Oct 2022 16:21:57 +0200
Subject: [PATCH 407/789] fix: remove Bracken from standardise reports

---
 .../local/standardisation_profiles.nf         | 25 ++-----------------
 1 file changed, 2 insertions(+), 23 deletions(-)

diff --git a/subworkflows/local/standardisation_profiles.nf b/subworkflows/local/standardisation_profiles.nf
index f560424..cbb0fab 100644
--- a/subworkflows/local/standardisation_profiles.nf
+++ b/subworkflows/local/standardisation_profiles.nf
@@ -3,11 +3,8 @@
 //
 
 include { KAIJU_KAIJU2TABLE                                                     } from '../../modules/nf-core/kaiju/kaiju2table/main'
-include {
-    KRAKENTOOLS_COMBINEKREPORTS as KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE;
-    KRAKENTOOLS_COMBINEKREPORTS as KRAKENTOOLS_COMBINEKREPORTS_BRACKEN;
-    KRAKENTOOLS_COMBINEKREPORTS
-} from '../../modules/nf-core/krakentools/combinekreports/main'
+include { KRAKENTOOLS_COMBINEKREPORTS                                           } from '../../modules/nf-core/krakentools/combinekreports/main'
+include { KRAKENTOOLS_COMBINEKREPORTS as KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE } from '../../modules/nf-core/krakentools/combinekreports/main'
 include { METAPHLAN3_MERGEMETAPHLANTABLES                                       } from '../../modules/nf-core/metaphlan3/mergemetaphlantables/main'
 include { MOTUS_MERGE                                                           } from '../../modules/nf-core/motus/merge/main'
 
@@ -30,7 +27,6 @@ workflow STANDARDISATION_PROFILES {
         .branch {
             motus: it[0]['tool'] == 'motus'
             kraken2: it[0]['tool'] == 'kraken2'
-            bracken: it[0]['tool'] == 'bracken'
             centrifuge: it[0]['tool'] == 'centrifuge'
             metaphlan3: it[0]['tool'] == 'metaphlan3'
             unknown: true
@@ -102,23 +98,6 @@ workflow STANDARDISATION_PROFILES {
     ch_multiqc_files = ch_multiqc_files.mix( KRAKENTOOLS_COMBINEKREPORTS.out.txt )
     ch_versions = ch_versions.mix( KRAKENTOOLS_COMBINEKREPORTS.out.versions )
 
-    // Bracken
-
-    // Collect and replace id for db_name for prefix
-    // Have to sort by size to ensure first file actually has hits otherwise
-    // the script fails
-    ch_profiles_for_bracken = ch_input_profiles.bracken
-                                .map { [it[0]['db_name'], it[1]] }
-                                .groupTuple(sort: {-it.size()} )
-                                .map {
-                                    [[id:it[0]], it[1]]
-                                }
-
-    KRAKENTOOLS_COMBINEKREPORTS_BRACKEN ( ch_profiles_for_bracken )
-    ch_standardised_tables = ch_standardised_tables.mix( KRAKENTOOLS_COMBINEKREPORTS_BRACKEN.out.txt )
-    ch_multiqc_files = ch_multiqc_files.mix( KRAKENTOOLS_COMBINEKREPORTS_BRACKEN.out.txt )
-    ch_versions = ch_versions.mix( KRAKENTOOLS_COMBINEKREPORTS_BRACKEN.out.versions )
-
     // MetaPhlAn3
 
     ch_profiles_for_metaphlan3 = ch_input_profiles.metaphlan3

From 511cb16a6119fe746950abc5fed4100517a41775 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Thu, 20 Oct 2022 16:55:57 +0200
Subject: [PATCH 408/789] Apply review suggestions

---
 .github/workflows/ci.yml                      |  3 +-
 CITATIONS.md                                  |  2 +-
 README.md                                     |  2 +-
 nextflow.config                               |  2 +
 nextflow_schema.json                          | 62 ++++++++++++++++---
 subworkflows/local/longread_preprocessing.nf  | 10 +--
 subworkflows/local/shortread_preprocessing.nf | 11 ++--
 workflows/taxprofiler.nf                      |  7 ++-
 8 files changed, 75 insertions(+), 24 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 344505a..12185fe 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -23,7 +23,8 @@ jobs:
           - "21.10.3"
           - "latest-everything"
         parameters:
-          - "--perform_fastqc_alternative false"
+          - "--preprocessing_qc_tool fastqc"
+          - "--preprocessing_qc_tool falco"
           - "--perform_longread_qc false"
           - "--perform_shortread_qc false"
           - "--shortread_qc_tool fastp"
diff --git a/CITATIONS.md b/CITATIONS.md
index 510c74b..599e049 100644
--- a/CITATIONS.md
+++ b/CITATIONS.md
@@ -62,7 +62,7 @@
 
 - [FILTLONG](https://github.com/rrwick/Filtlong)
 
-- [Falco](https://doi.org/10.12688/f1000research.21142.2)
+- [falco](https://doi.org/10.12688/f1000research.21142.2)
 
 > de Sena Brandine G and Smith AD. Falco: high-speed FastQC emulation for quality control of sequencing data. F1000Research 2021, 8:1874
 
diff --git a/README.md b/README.md
index e17c7b5..3f0a840 100644
--- a/README.md
+++ b/README.md
@@ -30,7 +30,7 @@ On release, automated continuous integration tests run the pipeline on a full-si
 
 ![](docs/images/taxprofiler_tube.png)
 
-1. Read QC ([`FastQC`](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/) or [`Falco`](https://github.com/smithlabcode/falco) as an alternative option)
+1. Read QC ([`FastQC`](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/) or [`falco`](https://github.com/smithlabcode/falco) as an alternative option)
 2. Performs optional read pre-processing
    - Adapter clipping and merging (short-read: [fastp](https://github.com/OpenGene/fastp), [AdapterRemoval2](https://github.com/MikkelSchubert/adapterremoval); long-read: [porechop](https://github.com/rrwick/Porechop))
    - Low complexity and quality filtering (short-read: [bbduk](https://jgi.doe.gov/data-and-tools/software-tools/bbtools/), [PRINSEQ++](https://github.com/Adrian-Cantu/PRINSEQ-plus-plus); long-read: [Filtlong](https://github.com/rrwick/Filtlong))
diff --git a/nextflow.config b/nextflow.config
index efb5aff..b69948e 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -59,6 +59,8 @@ params {
     // Databases
     databases = null
 
+    preprocessing_qc_tool            = 'fastqc'
+
     // FASTQ preprocessing
     perform_shortread_qc             = false
     shortread_qc_tool                = 'fastp'
diff --git a/nextflow_schema.json b/nextflow_schema.json
index f88443f..055c368 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,7 +10,11 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["input", "outdir", "databases"],
+            "required": [
+                "input",
+                "outdir",
+                "databases"
+            ],
             "properties": {
                 "input": {
                     "type": "string",
@@ -80,7 +84,10 @@
                 "shortread_qc_tool": {
                     "type": "string",
                     "default": "fastp",
-                    "enum": ["fastp", "adapterremoval"],
+                    "enum": [
+                        "fastp",
+                        "adapterremoval"
+                    ],
                     "fa_icon": "fas fa-tools",
                     "description": "Specify which tool to use for short-read QC"
                 },
@@ -133,7 +140,11 @@
                 "shortread_complexityfilter_tool": {
                     "type": "string",
                     "default": "bbduk",
-                    "enum": ["bbduk", "prinseqplusplus", "fastp"],
+                    "enum": [
+                        "bbduk",
+                        "prinseqplusplus",
+                        "fastp"
+                    ],
                     "fa_icon": "fas fa-hammer",
                     "description": "Specify which tool to use for complexity filtering"
                 },
@@ -167,7 +178,10 @@
                 "shortread_complexityfilter_prinseqplusplus_mode": {
                     "type": "string",
                     "default": "entropy",
-                    "enum": ["entropy", "dust"],
+                    "enum": [
+                        "entropy",
+                        "dust"
+                    ],
                     "fa_icon": "fas fa-check-square",
                     "description": "Specify the complexity filter mode for PRINSEQ++"
                 },
@@ -341,7 +355,15 @@
                 "diamond_output_format": {
                     "type": "string",
                     "default": "tsv",
-                    "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"],
+                    "enum": [
+                        "blast",
+                        "xml",
+                        "txt",
+                        "daa",
+                        "sam",
+                        "tsv",
+                        "paf"
+                    ],
                     "fa_icon": "fas fa-file",
                     "description": "Specify output format from DIAMOND profiling.",
                     "help_text": "DIAMOND can produce output in a number of different formats, you can specify here which to produce.\n\nNote that DIAMOND can only produce one format at a time, and depending on which you pick, some downstream steps may not be executed. For example, selecting `daa` or `sam` will mean you will not get a tabular taxonomic profile as with the other tools.\n\nWill be overriden by `--diamond_save_reads.`\n\n> Modifies tool parameter(s):\n> - diamond blastx: `--outfmt`"
@@ -360,7 +382,14 @@
                 "kaiju_taxon_rank": {
                     "type": "string",
                     "default": "species",
-                    "enum": ["phylum", "class", "order", "family", "genus", "species"],
+                    "enum": [
+                        "phylum",
+                        "class",
+                        "order",
+                        "family",
+                        "genus",
+                        "species"
+                    ],
                     "fa_icon": "fas fa-tag",
                     "description": "Specify taxonomic rank to be displayed in Kaiju taxon table",
                     "help_text": "Specify the taxonomic level(s) to be displayed in the resulting Kaiju taxon table, as generated by the kaiju2table helper tool.\n\nThis can be either a single level (e.g. `species`), or a comma separated list to display the full taxonomic path (e.g. `superkingdom,phylum,class,order,family,genus,species.`).\n\n> Modifies tool parameter(s):\n> - kaiju2table: `-l`"
@@ -555,7 +584,14 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
+                    "enum": [
+                        "symlink",
+                        "rellink",
+                        "link",
+                        "copy",
+                        "copyNoFollow",
+                        "move"
+                    ],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -707,5 +743,15 @@
         {
             "$ref": "#/definitions/reference_genome_options"
         }
-    ]
+    ],
+    "properties": {
+        "preprocessing_qc_tool": {
+            "type": "string",
+            "default": "fastqc",
+            "enum": [
+                "fastqc",
+                "falco"
+            ]
+        }
+    }
 }
diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf
index cf0d168..d16db3f 100644
--- a/subworkflows/local/longread_preprocessing.nf
+++ b/subworkflows/local/longread_preprocessing.nf
@@ -54,13 +54,13 @@ workflow LONGREAD_PREPROCESSING {
         ch_multiqc_files = ch_multiqc_files.mix( FILTLONG.out.log )
     }
 
-    if (params.perform_fastqc_alternative) {
-        FALCO_PROCESSED ( ch_processed_reads )
-        ch_multiqc_files = ch_multiqc_files.mix( FALCO_PROCESSED.out.txt )
-
-    } else {
+    if (params.preprocessing_qc_tool == 'fastqc') {
         FASTQC_PROCESSED ( ch_processed_reads )
         ch_multiqc_files = ch_multiqc_files.mix( FASTQC_PROCESSED.out.zip )
+
+    } else if (params.preprocessing_qc_tool == 'falco') {
+        FALCO_PROCESSED ( ch_processed_reads )
+        ch_multiqc_files = ch_multiqc_files.mix( FALCO_PROCESSED.out.txt )
     }
 
     emit:
diff --git a/subworkflows/local/shortread_preprocessing.nf b/subworkflows/local/shortread_preprocessing.nf
index a67539a..f2cd738 100644
--- a/subworkflows/local/shortread_preprocessing.nf
+++ b/subworkflows/local/shortread_preprocessing.nf
@@ -28,15 +28,14 @@ workflow SHORTREAD_PREPROCESSING {
         ch_processed_reads = reads
     }
 
-    if (params.perform_fastqc_alternative) {
-        FALCO_PROCESSED ( ch_processed_reads )
-        ch_versions = ch_versions.mix( FALCO_PROCESSED.out.versions )
-        ch_multiqc_files = ch_multiqc_files.mix( FALCO_PROCESSED.out.txt )
-
-    } else {
+    if (params.preprocessing_qc_tool == 'fastqc') {
         FASTQC_PROCESSED ( ch_processed_reads )
         ch_versions = ch_versions.mix( FASTQC_PROCESSED.out.versions )
         ch_multiqc_files = ch_multiqc_files.mix( FASTQC_PROCESSED.out.zip )
+    } else if  (params.preprocessing_qc_tool == 'falco') {
+        FALCO_PROCESSED ( ch_processed_reads )
+        ch_versions = ch_versions.mix( FALCO_PROCESSED.out.versions )
+        ch_multiqc_files = ch_multiqc_files.mix( FALCO_PROCESSED.out.txt )
     }
 
     emit:
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 2435782..905cbd9 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -121,7 +121,7 @@ workflow TAXPROFILER {
     */
     ch_input_for_fastqc = INPUT_CHECK.out.fastq.mix( INPUT_CHECK.out.nanopore )
 
-    if ( params.perform_fastqc_alternative ) {
+    if ( params.preprocessing_qc_tool == 'falco' ) {
         FALCO ( ch_input_for_fastqc )
         ch_versions = ch_versions.mix(FALCO.out.versions.first())
     } else {
@@ -257,9 +257,12 @@ workflow TAXPROFILER {
     ch_multiqc_files = ch_multiqc_files.mix(ch_methods_description.collectFile(name: 'methods_description_mqc.yaml'))
     ch_multiqc_files = ch_multiqc_files.mix(CUSTOM_DUMPSOFTWAREVERSIONS.out.mqc_yml.collect())
 
-    if (!params.perform_fastqc_alternative) {
+    if (!params.preprocessing_qc_tool == 'falco') {
         ch_multiqc_files = ch_multiqc_files.mix(FASTQC.out.zip.collect{it[1]}.ifEmpty([]))
     }
+    else {
+        ch_multiqc_files = ch_multiqc_files.mix(FALCO.out.txt.collect{it[1]}.ifEmpty([]))
+    }
 
     if (params.perform_shortread_qc) {
         ch_multiqc_files = ch_multiqc_files.mix( SHORTREAD_PREPROCESSING.out.mqc.collect{it[1]}.ifEmpty([]) )

From 19231538daac4365596f9e827680fb007df53079 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Thu, 20 Oct 2022 16:59:32 +0200
Subject: [PATCH 409/789] Prettier

---
 nextflow_schema.json | 55 +++++++-------------------------------------
 1 file changed, 8 insertions(+), 47 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 055c368..ff2505f 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,11 +10,7 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": [
-                "input",
-                "outdir",
-                "databases"
-            ],
+            "required": ["input", "outdir", "databases"],
             "properties": {
                 "input": {
                     "type": "string",
@@ -84,10 +80,7 @@
                 "shortread_qc_tool": {
                     "type": "string",
                     "default": "fastp",
-                    "enum": [
-                        "fastp",
-                        "adapterremoval"
-                    ],
+                    "enum": ["fastp", "adapterremoval"],
                     "fa_icon": "fas fa-tools",
                     "description": "Specify which tool to use for short-read QC"
                 },
@@ -140,11 +133,7 @@
                 "shortread_complexityfilter_tool": {
                     "type": "string",
                     "default": "bbduk",
-                    "enum": [
-                        "bbduk",
-                        "prinseqplusplus",
-                        "fastp"
-                    ],
+                    "enum": ["bbduk", "prinseqplusplus", "fastp"],
                     "fa_icon": "fas fa-hammer",
                     "description": "Specify which tool to use for complexity filtering"
                 },
@@ -178,10 +167,7 @@
                 "shortread_complexityfilter_prinseqplusplus_mode": {
                     "type": "string",
                     "default": "entropy",
-                    "enum": [
-                        "entropy",
-                        "dust"
-                    ],
+                    "enum": ["entropy", "dust"],
                     "fa_icon": "fas fa-check-square",
                     "description": "Specify the complexity filter mode for PRINSEQ++"
                 },
@@ -355,15 +341,7 @@
                 "diamond_output_format": {
                     "type": "string",
                     "default": "tsv",
-                    "enum": [
-                        "blast",
-                        "xml",
-                        "txt",
-                        "daa",
-                        "sam",
-                        "tsv",
-                        "paf"
-                    ],
+                    "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"],
                     "fa_icon": "fas fa-file",
                     "description": "Specify output format from DIAMOND profiling.",
                     "help_text": "DIAMOND can produce output in a number of different formats, you can specify here which to produce.\n\nNote that DIAMOND can only produce one format at a time, and depending on which you pick, some downstream steps may not be executed. For example, selecting `daa` or `sam` will mean you will not get a tabular taxonomic profile as with the other tools.\n\nWill be overriden by `--diamond_save_reads.`\n\n> Modifies tool parameter(s):\n> - diamond blastx: `--outfmt`"
@@ -382,14 +360,7 @@
                 "kaiju_taxon_rank": {
                     "type": "string",
                     "default": "species",
-                    "enum": [
-                        "phylum",
-                        "class",
-                        "order",
-                        "family",
-                        "genus",
-                        "species"
-                    ],
+                    "enum": ["phylum", "class", "order", "family", "genus", "species"],
                     "fa_icon": "fas fa-tag",
                     "description": "Specify taxonomic rank to be displayed in Kaiju taxon table",
                     "help_text": "Specify the taxonomic level(s) to be displayed in the resulting Kaiju taxon table, as generated by the kaiju2table helper tool.\n\nThis can be either a single level (e.g. `species`), or a comma separated list to display the full taxonomic path (e.g. `superkingdom,phylum,class,order,family,genus,species.`).\n\n> Modifies tool parameter(s):\n> - kaiju2table: `-l`"
@@ -584,14 +555,7 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": [
-                        "symlink",
-                        "rellink",
-                        "link",
-                        "copy",
-                        "copyNoFollow",
-                        "move"
-                    ],
+                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -748,10 +712,7 @@
         "preprocessing_qc_tool": {
             "type": "string",
             "default": "fastqc",
-            "enum": [
-                "fastqc",
-                "falco"
-            ]
+            "enum": ["fastqc", "falco"]
         }
     }
 }

From 385507ec6fbb84fa2c3e09ba90365abdf98aac18 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Fri, 21 Oct 2022 10:03:36 +0200
Subject: [PATCH 410/789] refactor: use tool name 'bracken' only

---
 subworkflows/local/profiling.nf | 16 ++++++----------
 1 file changed, 6 insertions(+), 10 deletions(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 5e2a7d2..e76db6c 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -41,7 +41,7 @@ workflow PROFILING {
             .combine(databases)
             .branch {
                 malt:    it[2]['tool'] == 'malt'
-                kraken2: it[2]['tool'].contains('kraken2')
+                kraken2: it[2]['tool'] == 'kraken2' || it[2]['tool'] == 'bracken'
                 metaphlan3: it[2]['tool'] == 'metaphlan3'
                 centrifuge: it[2]['tool'] == 'centrifuge'
                 kaiju: it[2]['tool'] == 'kaiju'
@@ -133,7 +133,7 @@ workflow PROFILING {
         ch_raw_classifications = ch_raw_classifications.mix( KRAKEN2_KRAKEN2.out.classified_reads_assignment )
         ch_raw_profiles        = ch_raw_profiles.mix(
             KRAKEN2_KRAKEN2.out.report
-                // Set the tool to be strictly 'kraken2' instead of potentially 'kraken2+bracken' for downstream use.
+                // Set the tool to be strictly 'kraken2' instead of potentially 'bracken' for downstream use.
                 .map { meta, report -> [meta + [tool: 'kraken2'], report]}
         )
 
@@ -142,7 +142,7 @@ workflow PROFILING {
     if ( params.run_kraken2 && params.run_bracken ) {
 
         def ch_input_for_bracken = KRAKEN2_KRAKEN2.out.report
-            .filter { meta, report -> meta['tool'].contains('bracken') }
+            .filter { meta, report -> meta['tool'] == 'bracken' }
 
         if (params.kraken2_save_minimizers) {
             ch_input_for_bracken = KRAKEN2_STANDARD_REPORT(ch_input_for_bracken).report
@@ -151,21 +151,17 @@ workflow PROFILING {
         ch_input_for_bracken = ch_input_for_bracken
             .combine(
                 databases.filter { meta, db ->
-                    meta['tool'].contains('bracken')
+                    meta['tool'] == 'bracken'
                 }
             )
             .multiMap { meta, report, db_meta, db ->
-                report: [meta, report]
+                report: [meta + db_meta, report]
                 db: db
             }
 
         BRACKEN_BRACKEN(ch_input_for_bracken.report, ch_input_for_bracken.db)
         ch_versions     = ch_versions.mix(BRACKEN_BRACKEN.out.versions.first())
-        ch_raw_profiles = ch_raw_profiles.mix(
-            BRACKEN_BRACKEN.out.reports
-                // Set the tool to be strictly 'bracken' instead of potentially 'kraken2+bracken' for downstream use.
-                .map { meta, report -> [meta + [tool: 'bracken'], report]}
-        )
+        ch_raw_profiles = ch_raw_profiles.mix(BRACKEN_BRACKEN.out.reports)
 
     }
 

From 7bd6112133ff3ff67772728243db29b5cabf4607 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Fri, 21 Oct 2022 10:18:11 +0200
Subject: [PATCH 411/789] docs: describe Bracken database usage

---
 docs/usage.md | 17 +++++++++++++----
 1 file changed, 13 insertions(+), 4 deletions(-)

diff --git a/docs/usage.md b/docs/usage.md
index 4f4c1ac..dd80eda 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -74,13 +74,13 @@ The pipeline takes the locations and specific profiling parameters of the tool o
 
 > ⚠️ nf-core/taxprofiler does not provide any databases by default, nor does it currently generate them for you. This must be performed manually by the user. See below for more information of the expected database files.
 
-An example database sheet can look as follows, where 4 tools are being used, and `malt` and `kraken2` will be used against two databases each.
+An example database sheet can look as follows, where 4 tools are being used, and `malt` and `kraken2` will be used against two databases each. This is because specifying `bracken` implies first running `kraken2` on the same database.
 
 ```console
 tool,db_name,db_params,db_path
 malt,malt85,-id 85,/<path>/<to>/malt/testdb-malt/
 malt,malt95,-id 90,/<path>/<to>/malt/testdb-malt.tar.gz
-kraken2,db1,,/<path>/<to>/kraken2/testdb-kraken2.tar.gz
+bracken,db1,,/<path>/<to>/bracken/testdb-bracken.tar.gz
 kraken2,db2,--quick,/<path>/<to>/kraken2/testdb-kraken2.tar.gz
 centrifuge,db1,,/<path>/<to>/centrifuge/minigut_cf.tar.gz
 metaphlan3,db1,,/<path>/<to>/metaphlan3/metaphlan_database/
@@ -91,8 +91,8 @@ Column specifications are as follows:
 
 | Column      | Description                                                                                                                                                                                                                                                                                                                                                                                                                                                    |
 | ----------- | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
-| `tool`      | Taxonomic profiling tool (supported by nf-core/taxprofiler) that the database has been indexed for [required].                                                                                                                                                                                                                                                                                                                                                 |
-| `db_name`   | A unique name of the particular database [required].                                                                                                                                                                                                                                                                                                                                                                                                           |
+| `tool`      | Taxonomic profiling tool (supported by nf-core/taxprofiler) that the database has been indexed for [required]. Please note that `bracken` also implies running `kraken2` on the same database.                                                                                                                                                                                                                                                                 |
+| `db_name`   | A unique name per tool for the particular database [required]. Please note that names need to be unique across both `kraken2` and `bracken` as well.                                                                                                                                                                                                                                                                                                           |
 | `db_params` | Any parameters of the given taxonomic profiler that you wish to specify that the taxonomic profiling tool should use when profiling against this specific. Can be empty to use taxonomic profiler defaults. Must not be surrounded by quotes [required]. We generally do not recommend specifying parameters here that turn on/off saving of output files or specifying particular file extensions - this should be already addressed via pipeline parameters. |
 | `db_path`   | Path to the database. Can either be a path to a directory containing the database index files or a `.tar.gz` file which contains the compressed database directory with the same name as the tar archive, minus `.tar.gz` [required].                                                                                                                                                                                                                          |
 
@@ -116,6 +116,15 @@ Expected (uncompressed) database files for each tool are as follows:
   - `opts.k2d`
   - `hash.k2d`
   - `taxo.k2d`
+- **Bracken** output of a combined `kraken2-` and `bracken-build` process. Please see the [documentation on Bracken](https://github.com/jenniferlu717/Bracken#running-bracken-easy-version) for details. The output is a directory containing files per expected sequencing read length similarly to:
+  - `hash.k2d`
+  - `opts.k2d`
+  - `taxo.k2d`
+  - `database.kraken`
+  - `database100mers.kmer_distrib`
+  - `database100mers.kraken`
+  - `database150mers.kmer_distrib`
+  - `database150mers.kraken`
 - **Centrifuge** output of `centrifuge-build`. A directory containing:
   - `<database_name>.<number>.cf`
   - `<database_name>.<number>.cf`

From 60e369aa5c7601a46e2ea2d6dddbe457f37b9f42 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Fri, 21 Oct 2022 10:47:51 +0200
Subject: [PATCH 412/789] fix: set default run bracken to false

---
 conf/test_motus.config | 1 +
 nextflow.config        | 2 +-
 2 files changed, 2 insertions(+), 1 deletion(-)

diff --git a/conf/test_motus.config b/conf/test_motus.config
index d5eb8f8..d167b94 100644
--- a/conf/test_motus.config
+++ b/conf/test_motus.config
@@ -33,6 +33,7 @@ params {
     hostremoval_reference                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/homo_sapiens/genome/genome.fasta'
     run_kaiju                             = false
     run_kraken2                           = false
+    run_bracken                           = false
     run_malt                              = false
     run_metaphlan3                        = false
     run_centrifuge                        = false
diff --git a/nextflow.config b/nextflow.config
index 4f32a00..24ccab3 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -117,7 +117,7 @@ params {
     kraken2_save_minimizers         = false
 
     // Bracken
-    run_bracken = true
+    run_bracken = false
 
     // centrifuge
     run_centrifuge             = false

From ca7dc308cb89d6e8ba110de5c96ce1641ff8940a Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Fri, 21 Oct 2022 16:36:35 +0200
Subject: [PATCH 413/789] Apply suggestions from code review

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 docs/usage.md                   | 2 +-
 subworkflows/local/profiling.nf | 4 +++-
 2 files changed, 4 insertions(+), 2 deletions(-)

diff --git a/docs/usage.md b/docs/usage.md
index dd80eda..56f9123 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -92,7 +92,7 @@ Column specifications are as follows:
 | Column      | Description                                                                                                                                                                                                                                                                                                                                                                                                                                                    |
 | ----------- | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
 | `tool`      | Taxonomic profiling tool (supported by nf-core/taxprofiler) that the database has been indexed for [required]. Please note that `bracken` also implies running `kraken2` on the same database.                                                                                                                                                                                                                                                                 |
-| `db_name`   | A unique name per tool for the particular database [required]. Please note that names need to be unique across both `kraken2` and `bracken` as well.                                                                                                                                                                                                                                                                                                           |
+| `db_name`   | A unique name per tool for the particular database [required]. Please note that names need to be unique across both `kraken2` and `bracken` as well, even if re-using the same database.                                                                                                                                                                                                                                                                                                           |
 | `db_params` | Any parameters of the given taxonomic profiler that you wish to specify that the taxonomic profiling tool should use when profiling against this specific. Can be empty to use taxonomic profiler defaults. Must not be surrounded by quotes [required]. We generally do not recommend specifying parameters here that turn on/off saving of output files or specifying particular file extensions - this should be already addressed via pipeline parameters. |
 | `db_path`   | Path to the database. Can either be a path to a directory containing the database index files or a `.tar.gz` file which contains the compressed database directory with the same name as the tar archive, minus `.tar.gz` [required].                                                                                                                                                                                                                          |
 
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index e76db6c..e6272ac 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -41,7 +41,7 @@ workflow PROFILING {
             .combine(databases)
             .branch {
                 malt:    it[2]['tool'] == 'malt'
-                kraken2: it[2]['tool'] == 'kraken2' || it[2]['tool'] == 'bracken'
+                kraken2: it[2]['tool'] == 'kraken2' || it[2]['tool'] == 'bracken' // to reuse the kraken module to produce the input data for bracken
                 metaphlan3: it[2]['tool'] == 'metaphlan3'
                 centrifuge: it[2]['tool'] == 'centrifuge'
                 kaiju: it[2]['tool'] == 'kaiju'
@@ -134,6 +134,7 @@ workflow PROFILING {
         ch_raw_profiles        = ch_raw_profiles.mix(
             KRAKEN2_KRAKEN2.out.report
                 // Set the tool to be strictly 'kraken2' instead of potentially 'bracken' for downstream use.
+                // Will remain distinct from 'pure' Kraken2 results due to distinct database names in file names.
                 .map { meta, report -> [meta + [tool: 'kraken2'], report]}
         )
 
@@ -141,6 +142,7 @@ workflow PROFILING {
 
     if ( params.run_kraken2 && params.run_bracken ) {
 
+        // remove files from 'pure' kraken2 runs, so only those aligned against bracken2 kraken database are taken for brakcen
         def ch_input_for_bracken = KRAKEN2_KRAKEN2.out.report
             .filter { meta, report -> meta['tool'] == 'bracken' }
 

From d3d4297ca932ff1b33cc60827995af673ae832f5 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Mon, 24 Oct 2022 16:28:07 +0200
Subject: [PATCH 414/789] Apply review suggestions

---
 workflows/taxprofiler.nf | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 905cbd9..1ac519c 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -257,13 +257,13 @@ workflow TAXPROFILER {
     ch_multiqc_files = ch_multiqc_files.mix(ch_methods_description.collectFile(name: 'methods_description_mqc.yaml'))
     ch_multiqc_files = ch_multiqc_files.mix(CUSTOM_DUMPSOFTWAREVERSIONS.out.mqc_yml.collect())
 
-    if (!params.preprocessing_qc_tool == 'falco') {
-        ch_multiqc_files = ch_multiqc_files.mix(FASTQC.out.zip.collect{it[1]}.ifEmpty([]))
-    }
-    else {
+    if ( params.preprocessing_qc_tool == 'falco' ) {
         ch_multiqc_files = ch_multiqc_files.mix(FALCO.out.txt.collect{it[1]}.ifEmpty([]))
+    } else {
+        ch_multiqc_files = ch_multiqc_files.mix(FASTQC.out.zip.collect{it[1]}.ifEmpty([]))
     }
 
+
     if (params.perform_shortread_qc) {
         ch_multiqc_files = ch_multiqc_files.mix( SHORTREAD_PREPROCESSING.out.mqc.collect{it[1]}.ifEmpty([]) )
     }

From 00038db6345d0492bc0a1a4ce0dacdf86dbd836e Mon Sep 17 00:00:00 2001
From: nf-core-bot <core@nf-co.re>
Date: Tue, 25 Oct 2022 08:51:58 +0000
Subject: [PATCH 415/789] [automated] Fix linting with Prettier

---
 docs/usage.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/usage.md b/docs/usage.md
index 56f9123..ada5a2d 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -92,7 +92,7 @@ Column specifications are as follows:
 | Column      | Description                                                                                                                                                                                                                                                                                                                                                                                                                                                    |
 | ----------- | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
 | `tool`      | Taxonomic profiling tool (supported by nf-core/taxprofiler) that the database has been indexed for [required]. Please note that `bracken` also implies running `kraken2` on the same database.                                                                                                                                                                                                                                                                 |
-| `db_name`   | A unique name per tool for the particular database [required]. Please note that names need to be unique across both `kraken2` and `bracken` as well, even if re-using the same database.                                                                                                                                                                                                                                                                                                           |
+| `db_name`   | A unique name per tool for the particular database [required]. Please note that names need to be unique across both `kraken2` and `bracken` as well, even if re-using the same database.                                                                                                                                                                                                                                                                       |
 | `db_params` | Any parameters of the given taxonomic profiler that you wish to specify that the taxonomic profiling tool should use when profiling against this specific. Can be empty to use taxonomic profiler defaults. Must not be surrounded by quotes [required]. We generally do not recommend specifying parameters here that turn on/off saving of output files or specifying particular file extensions - this should be already addressed via pipeline parameters. |
 | `db_path`   | Path to the database. Can either be a path to a directory containing the database index files or a `.tar.gz` file which contains the compressed database directory with the same name as the tar archive, minus `.tar.gz` [required].                                                                                                                                                                                                                          |
 

From 8c3e80b6ea85b316b5f476c016a068180a09ffdd Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Tue, 25 Oct 2022 11:13:26 +0200
Subject: [PATCH 416/789] Add helptest to nextflow_schema,add versions to
 longread_preprocessing

---
 .github/workflows/ci.yml                     | 1 -
 docs/usage.md                                | 2 +-
 nextflow_schema.json                         | 4 +++-
 subworkflows/local/longread_preprocessing.nf | 2 ++
 4 files changed, 6 insertions(+), 3 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 12185fe..862e072 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -23,7 +23,6 @@ jobs:
           - "21.10.3"
           - "latest-everything"
         parameters:
-          - "--preprocessing_qc_tool fastqc"
           - "--preprocessing_qc_tool falco"
           - "--perform_longread_qc false"
           - "--perform_shortread_qc false"
diff --git a/docs/usage.md b/docs/usage.md
index 4a44cf4..32fec4d 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -168,7 +168,7 @@ work                # Directory containing the nextflow working files
 
 ### Sequencing quality control
 
-nf-core taxprofiler offers [`Falco`](https://github.com/smithlabcode/falco] as an alternative option to [`FastQC`](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/).
+nf-core taxprofiler offers [`falco`](https://github.com/smithlabcode/falco] as an alternative option to [`FastQC`](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/).
 
 ### Preprocessing Steps
 
diff --git a/nextflow_schema.json b/nextflow_schema.json
index ff2505f..aec2b3f 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -712,7 +712,9 @@
         "preprocessing_qc_tool": {
             "type": "string",
             "default": "fastqc",
-            "enum": ["fastqc", "falco"]
+            "enum": ["fastqc", "falco"],
+            "help_text": "Falco is aimed at being a drop-in replacement for FastQC but written in C++ for faster computation. We particularly recommend using falco when using long reads (due to reduced memory constraints), however is also applicable for short reads.",
+            "description": "By default, the pipeline utilizes FastQC tool for quality control of raw sequencing reads"
         }
     }
 }
diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf
index d16db3f..3da49ce 100644
--- a/subworkflows/local/longread_preprocessing.nf
+++ b/subworkflows/local/longread_preprocessing.nf
@@ -56,10 +56,12 @@ workflow LONGREAD_PREPROCESSING {
 
     if (params.preprocessing_qc_tool == 'fastqc') {
         FASTQC_PROCESSED ( ch_processed_reads )
+        ch_versions = ch_versions.mix( FASTQC_PROCESSED.out.versions )
         ch_multiqc_files = ch_multiqc_files.mix( FASTQC_PROCESSED.out.zip )
 
     } else if (params.preprocessing_qc_tool == 'falco') {
         FALCO_PROCESSED ( ch_processed_reads )
+        ch_versions = ch_versions.mix( FALCO_PROCESSED.out.versions )
         ch_multiqc_files = ch_multiqc_files.mix( FALCO_PROCESSED.out.txt )
     }
 

From 7b1a53b06267ecb672a785b7c72a4e6f3cf60b26 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Tue, 25 Oct 2022 11:19:08 +0200
Subject: [PATCH 417/789] Update nextflow_schema.json

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 nextflow_schema.json | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index aec2b3f..225e05d 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -713,7 +713,7 @@
             "type": "string",
             "default": "fastqc",
             "enum": ["fastqc", "falco"],
-            "help_text": "Falco is aimed at being a drop-in replacement for FastQC but written in C++ for faster computation. We particularly recommend using falco when using long reads (due to reduced memory constraints), however is also applicable for short reads.",
+            "help_text": "Falco is designed as a drop-in replacement for FastQC but written in C++ for faster computation. We particularly recommend using falco when using long reads (due to reduced memory constraints), however is also applicable for short reads.",
             "description": "By default, the pipeline utilizes FastQC tool for quality control of raw sequencing reads"
         }
     }

From de6816ec490cce6ba93c86a557c1800acf6ff5d9 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Tue, 25 Oct 2022 11:19:16 +0200
Subject: [PATCH 418/789] Update nextflow_schema.json

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 nextflow_schema.json | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 225e05d..4479f54 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -714,7 +714,7 @@
             "default": "fastqc",
             "enum": ["fastqc", "falco"],
             "help_text": "Falco is designed as a drop-in replacement for FastQC but written in C++ for faster computation. We particularly recommend using falco when using long reads (due to reduced memory constraints), however is also applicable for short reads.",
-            "description": "By default, the pipeline utilizes FastQC tool for quality control of raw sequencing reads"
+            "description": "Specify the tool used for quality control of raw sequencing reads"
         }
     }
 }

From 36e101a78b2f87b1aef1a5b05f65b6b730f5ad9d Mon Sep 17 00:00:00 2001
From: Mahwash Jamy <mahwashjamy@gmail.com>
Date: Tue, 25 Oct 2022 09:26:33 +0000
Subject: [PATCH 419/789] Install krakenuniq module

---
 .../krakenuniq/preloadedkrakenuniq/main.nf    | 118 ++++++++++++++++++
 .../krakenuniq/preloadedkrakenuniq/meta.yml   |  77 ++++++++++++
 2 files changed, 195 insertions(+)
 create mode 100644 modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf
 create mode 100644 modules/nf-core/krakenuniq/preloadedkrakenuniq/meta.yml

diff --git a/modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf b/modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf
new file mode 100644
index 0000000..a355c13
--- /dev/null
+++ b/modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf
@@ -0,0 +1,118 @@
+process KRAKENUNIQ_PRELOADEDKRAKENUNIQ {
+    tag "$meta.id"
+    label 'process_high'
+
+    conda (params.enable_conda ? "bioconda::krakenuniq=1.0.0" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/krakenuniq:1.0.0--pl5321h19e8d03_0':
+        'quay.io/biocontainers/krakenuniq:1.0.0--pl5321h19e8d03_0' }"
+
+    input:
+    tuple val(meta), path(fastqs)
+    path  db
+    val ram_chunk_size
+    val save_output_fastqs
+    val report_file
+    val save_output
+
+    output:
+    tuple val(meta), path('*.classified{.,_}*')     , optional:true, emit: classified_reads_fastq
+    tuple val(meta), path('*.unclassified{.,_}*')   , optional:true, emit: unclassified_reads_fastq
+    tuple val(meta), path('*classified.txt')        , optional:true, emit: classified_assignment
+    tuple val(meta), path('*report.txt')                           , emit: report
+
+    path "versions.yml"                                            , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def args2 = task.ext.args ?: ''
+
+    def paired       = meta.single_end ? "" : "--paired"
+    def classified   = meta.single_end ? '"\$PREFIX".classified.fastq'   : '"\$PREFIX".classified#.fastq'
+    def unclassified = meta.single_end ? '"\$PREFIX".unclassified.fastq' : '"\$PREFIX".unclassified#.fastq'
+    def classified_option = save_output_fastqs ? "--classified-out ${classified}" : ""
+    def unclassified_option = save_output_fastqs ? "--unclassified-out ${unclassified}" : ""
+    def output_option = save_output ? '--output "\$PREFIX".krakenuniq.classified.txt' : ""
+    def report = report_file ? '--report-file "\$PREFIX".krakenuniq.report.txt' : ""
+    def compress_reads_command = save_output_fastqs ? "gzip --no-name *.fastq" : ""
+
+    """
+    krakenuniq \\
+        $args \\
+        --db $db \\
+        --preload $ram_chunk_size \\
+        --threads $task.cpus
+
+    for fastq in ${fastqs.join(' ')}; do \\
+        PREFIX=\$(echo \$fastq)
+        krakenuniq \\
+            --db $db \\
+            --threads $task.cpus \\
+            $report \\
+            $output_option \\
+            $unclassified_option \\
+            $classified_option \\
+            $output_option \\
+            $paired \\
+            $args2 \\
+            \$fastq
+    done
+
+    $compress_reads_command
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        krakenuniq: \$(echo \$(krakenuniq --version 2>&1) | sed 's/^.*KrakenUniq version //; s/ .*\$//')
+    END_VERSIONS
+    """
+
+    stub:
+    def args = task.ext.args ?: ''
+    def args2 = task.ext.args ?: ''
+
+    def paired       = meta.single_end ? "" : "--paired"
+    def classified   = meta.single_end ? '"\$PREFIX".classified.fastq'   : '"\$PREFIX".classified#.fastq'
+    def unclassified = meta.single_end ? '"\$PREFIX".unclassified.fastq' : '"\$PREFIX".unclassified#.fastq'
+    def classified_option = save_output_fastqs ? "--classified-out ${classified}" : ""
+    def unclassified_option = save_output_fastqs ? "--unclassified-out ${unclassified}" : ""
+    def output_option = save_output ? '--output "\$PREFIX".krakenuniq.classified.txt' : ""
+    def report = report_file ? '--report-file "\$PREFIX".krakenuniq.report.txt' : ""
+    def compress_reads_command = save_output_fastqs ? "echo 'gzip --no-name *.fastq'" : ""
+    """
+    echo "krakenuniq \\
+        $args \\
+        --db $db \\
+        --preload $ram_chunk_size \\
+        --threads $task.cpus"
+
+    for fastq in ${fastqs.join(' ')}; do \\
+        PREFIX=\$(echo \$fastq)
+        echo "krakenuniq \\
+            --db $db \\
+            --threads $task.cpus \\
+            $report \\
+            $output_option \\
+            $unclassified_option \\
+            $classified_option \\
+            $output_option \\
+            $paired \\
+            $args2 \\
+            \$fastq"
+
+        touch "\$PREFIX".classified.fastq.gz
+        touch "\$PREFIX".krakenuniq.classified.txt
+        touch "\$PREFIX".krakenuniq.report.txt
+        touch "\$PREFIX".unclassified.fastq.gz
+    done
+
+    $compress_reads_command
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        krakenuniq: \$(echo \$(krakenuniq --version 2>&1) | sed 's/^.*KrakenUniq version //; s/ .*\$//')
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/krakenuniq/preloadedkrakenuniq/meta.yml b/modules/nf-core/krakenuniq/preloadedkrakenuniq/meta.yml
new file mode 100644
index 0000000..de788af
--- /dev/null
+++ b/modules/nf-core/krakenuniq/preloadedkrakenuniq/meta.yml
@@ -0,0 +1,77 @@
+name: "krakenuniq_preloadedkrakenuniq"
+description: Classifies metagenomic sequence data using unique k-mer counts
+keywords:
+  - classify
+  - metagenomics
+  - kmers
+  - fastq
+  - db
+tools:
+  - "krakenuniq":
+      description: "Metagenomics classifier with unique k-mer counting for more specific results"
+      homepage: https://github.com/fbreitwieser/krakenuniq
+      documentation: https://github.com/fbreitwieser/krakenuniq
+      doi: 10.1186/s13059-018-1568-0
+      licence: ["MIT"]
+
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - fastqs:
+      type: file
+      description: List of input FastQ files
+  - db:
+      type: directory
+      description: KrakenUniq database
+  - ram_chunk_size:
+      type: val
+      description: Amount of maximum amount of RAM each chunk of database that should be loaded at any one time
+      pattern: "*GB"
+  - save_output_fastqs:
+      type: boolean
+      description: |
+        If true, optional commands are added to save classified and unclassified reads
+        as fastq files
+  - save_reads_assignment:
+      type: boolean
+      description: |
+        If true, an optional command is added to save a file reporting the taxonomic
+        classification of each input read
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - classified_reads_fastq:
+      type: file
+      description: |
+        Reads classified as belonging to any of the taxa
+        on the KrakenUniq database.
+      pattern: "*{fastq.gz}"
+  - unclassified_reads_fastq:
+      type: file
+      description: |
+        Reads not classified to any of the taxa
+        on the KrakenUniq database.
+      pattern: "*{fastq.gz}"
+  - classified_assignment:
+      type: file
+      description: |
+        KrakenUniq output file indicating the taxonomic assignment of
+        each input read ## DOUBLE CHECK!!
+  - report:
+      type: file
+      description: |
+        KrakenUniq report containing stats about classified
+        and not classifed reads.
+      pattern: "*.{report.txt}"
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+authors:
+  - "@mjamy"

From 86ca71cfd4399147d7dbfac927f96c3867e3f003 Mon Sep 17 00:00:00 2001
From: Mahwash Jamy <mahwashjamy@gmail.com>
Date: Tue, 25 Oct 2022 09:45:05 +0000
Subject: [PATCH 420/789] include krakenuniq in profiling subworkflow

---
 modules.json                    |  4 ++++
 subworkflows/local/profiling.nf | 18 ++++++++++++++++++
 2 files changed, 22 insertions(+)

diff --git a/modules.json b/modules.json
index 10d6c74..2331ef8 100644
--- a/modules.json
+++ b/modules.json
@@ -89,6 +89,10 @@
                         "branch": "master",
                         "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
                     },
+                    "krakenuniq/preloadedkrakenuniq": {
+                        "branch": "master",
+                        "git_sha": "13b9d4854593c03e5e25e8a8f47462542c2c0dd4"
+                    },
                     "krona/ktimporttaxonomy": {
                         "branch": "master",
                         "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 11c4a72..6432829 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -11,6 +11,7 @@ include { METAPHLAN3_METAPHLAN3                 } from '../../modules/nf-core/me
 include { KAIJU_KAIJU                           } from '../../modules/nf-core/kaiju/kaiju/main'
 include { DIAMOND_BLASTX                        } from '../../modules/nf-core/diamond/blastx/main'
 include { MOTUS_PROFILE                         } from '../../modules/nf-core/motus/profile/main'
+include { KRAKENUNIQ_PRELOADEDKRAKENUNIQ        } from '../../modules/nf-core/krakenuniq/preloadedkrakenuniq/main'
 
 workflow PROFILING {
     take:
@@ -45,6 +46,7 @@ workflow PROFILING {
                 kaiju: it[2]['tool'] == 'kaiju'
                 diamond: it[2]['tool'] == 'diamond'
                 motus: it[2]['tool'] == 'motus'
+                krakenuniq: it[2]['tool'] == 'krakenuniq'
                 unknown: true
             }
 
@@ -228,6 +230,22 @@ workflow PROFILING {
         ch_multiqc_files   = ch_multiqc_files.mix( MOTUS_PROFILE.out.log )
     }
 
+    if ( params.run_krakenuniq ) {
+        ch_input_for_krakenuniq =  ch_input_for_profiling.krakenuniq
+                                    .multiMap {
+                                        it ->
+                                            reads: [ it[0] + it[2], it[1] ]
+                                            db: it[3]
+                                }
+
+        KRAKENUNIQ_PRELOADEDKRAKENUNIQ ( ch_input_for_krakenuniq.reads, ch_input_for_krakenuniq.db, params.krakenuniq_save_reads, params.krakenuniq_save_readclassification )
+        ch_multiqc_files       = ch_multiqc_files.mix( KRAKENUNIQ_PRELOADEDKRAKENUNIQ.out.report )
+        ch_versions            = ch_versions.mix( KRAKENUNIQ_PRELOADEDKRAKENUNIQ.out.versions.first() )
+        ch_raw_classifications = ch_raw_classifications.mix( KRAKENUNIQ_PRELOADEDKRAKENUNIQ.out.classified_assignment )
+        ch_raw_profiles        = ch_raw_profiles.mix( KRAKENUNIQ_PRELOADEDKRAKENUNIQ.out.report )
+
+    }
+
     emit:
     classifications = ch_raw_classifications
     profiles        = ch_raw_profiles    // channel: [ val(meta), [ reads ] ] - should be text files or biom

From f4717be9abcdb71771101936b9b1881142478feb Mon Sep 17 00:00:00 2001
From: Mahwash Jamy <mahwashjamy@gmail.com>
Date: Tue, 25 Oct 2022 09:50:44 +0000
Subject: [PATCH 421/789] add krakenuniq to modules.config

---
 conf/modules.config | 10 ++++++++++
 1 file changed, 10 insertions(+)

diff --git a/conf/modules.config b/conf/modules.config
index d2a0051..252a8fe 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -295,6 +295,16 @@ process {
         ]
     }
 
+    withName: KRAKENUNIQ_PRELOADEDKRAKENUNIQ {
+        ext.args = { "${meta.db_params}" }
+        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+        publishDir = [
+            path: { "${params.outdir}/krakenuniq/${meta.db_name}/" },
+            mode: params.publish_dir_mode,
+            pattern: '*.{txt,report,fastq.gz}'
+        ]
+    }
+
     withName: KRONA_CLEANUP {
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [

From 0de1ac53561d490e35a500b0e18da3e37a913907 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Thu, 27 Oct 2022 10:14:57 +0200
Subject: [PATCH 422/789] docs: add Bracken reference

---
 CITATIONS.md | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/CITATIONS.md b/CITATIONS.md
index 1ce4ec2..ec03fc4 100644
--- a/CITATIONS.md
+++ b/CITATIONS.md
@@ -36,6 +36,10 @@
 
   > Wood, Derrick E., Jennifer Lu, and Ben Langmead. 2019. Improved Metagenomic Analysis with Kraken 2. Genome Biology 20 (1): 257. doi: 10.1186/s13059-019-1891-0.
 
+- [Bracken](https://doi.org/10.7717/peerj-cs.104)
+
+  > Lu, J., Breitwieser, F. P., Thielen, P., & Salzberg, S. L. (2017). Bracken: Estimating species abundance in metagenomics data. PeerJ Computer Science, 3, e104. doi: 10.7717/peerj-cs.104
+
 - [Krona](https://doi.org/10.1186/1471-2105-12-385)
 
   > Ondov, Brian D., Nicholas H. Bergman, and Adam M. Phillippy. 2011. Interactive metagenomic visualization in a Web browser. BMC Bioinformatics 12 (1): 385. doi: 10.1186/1471-2105-12-385.

From dd1a4ff158bff66021138f4f63f5585a477b6618 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Thu, 27 Oct 2022 11:19:14 +0200
Subject: [PATCH 423/789] refactor: only combine same database name

[skip ci]
---
 subworkflows/local/profiling.nf | 25 ++++++++++++++-----------
 1 file changed, 14 insertions(+), 11 deletions(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index e6272ac..278e310 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -141,22 +141,25 @@ workflow PROFILING {
     }
 
     if ( params.run_kraken2 && params.run_bracken ) {
-
-        // remove files from 'pure' kraken2 runs, so only those aligned against bracken2 kraken database are taken for brakcen
-        def ch_input_for_bracken = KRAKEN2_KRAKEN2.out.report
+        // Remove files from 'pure' kraken2 runs, so only those aligned against Bracken & kraken2 database are used.
+        def ch_kraken2_output = KRAKEN2_KRAKEN2.out.report
             .filter { meta, report -> meta['tool'] == 'bracken' }
 
+        // If necessary, convert the eight column output to six column output.
         if (params.kraken2_save_minimizers) {
-            ch_input_for_bracken = KRAKEN2_STANDARD_REPORT(ch_input_for_bracken).report
+            ch_kraken2_output = KRAKEN2_STANDARD_REPORT(ch_kraken2_output).report
         }
 
-        ch_input_for_bracken = ch_input_for_bracken
-            .combine(
-                databases.filter { meta, db ->
-                    meta['tool'] == 'bracken'
-                }
-            )
-            .multiMap { meta, report, db_meta, db ->
+        // Extract the database name to combine by.
+        def ch_bracken_databases = databases
+            .filter { meta, db -> meta['tool'] == 'bracken' }
+            .map { meta, db -> [meta['db_name'], meta, db] }
+
+        // Extract the database name to combine by.
+        def ch_input_for_bracken = ch_kraken2_output
+            .map { meta, report -> [meta['db_name'], meta, report] }
+            .combine(ch_bracken_databases, by: 0)
+            .multiMap { key, meta, report, db_meta, db ->
                 report: [meta + db_meta, report]
                 db: db
             }

From e658fab430db815bf7614743e3b249c861df15ee Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Thu, 27 Oct 2022 11:50:47 +0200
Subject: [PATCH 424/789] fix: remove `def`

No idea why, must have something to do with scope.
---
 subworkflows/local/profiling.nf | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 278e310..b86c165 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -151,12 +151,12 @@ workflow PROFILING {
         }
 
         // Extract the database name to combine by.
-        def ch_bracken_databases = databases
+        ch_bracken_databases = databases
             .filter { meta, db -> meta['tool'] == 'bracken' }
             .map { meta, db -> [meta['db_name'], meta, db] }
 
         // Extract the database name to combine by.
-        def ch_input_for_bracken = ch_kraken2_output
+        ch_input_for_bracken = ch_kraken2_output
             .map { meta, report -> [meta['db_name'], meta, report] }
             .combine(ch_bracken_databases, by: 0)
             .multiMap { key, meta, report, db_meta, db ->

From 76a662ecc5e6a63b569b887df52ac41d1946cb7d Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Thu, 27 Oct 2022 12:17:19 +0000
Subject: [PATCH 425/789] Fix adapterremoval adapter conflict and add optional
 adapter list file

---
 conf/modules.config                           |  8 +--
 modules.json                                  |  2 +-
 modules/nf-core/adapterremoval/main.nf        |  4 +-
 nextflow.config                               |  3 +-
 nextflow_schema.json                          | 61 +++++++++++++++----
 .../local/shortread_adapterremoval.nf         |  5 +-
 subworkflows/local/shortread_preprocessing.nf |  1 +
 workflows/taxprofiler.nf                      |  9 ++-
 8 files changed, 69 insertions(+), 24 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index b1d7b87..9a351cc 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -100,8 +100,7 @@ process {
     withName: ADAPTERREMOVAL_SINGLE {
         ext.args   = [
             // trimming options
-            params.shortread_qc_skipadaptertrim ? "--adapter1 '' --adapter2 ''" : "",
-            params.shortread_qc_adapter1 ? "--adapter1 ${params.shortread_qc_adapter1}" : "",
+            params.shortread_qc_skipadaptertrim ? "--adapter1 ''" : params.shortread_qc_adapterlist ? "" : params.shortread_qc_adapter1 ? "--adapter1 ${params.shortread_qc_adapter1}" : "",
             // filtering options
             "--minlength ${params.shortread_qc_minlength}"
         ].join(' ').trim()
@@ -119,9 +118,8 @@ process {
             // collapsing options
             params.shortread_qc_mergepairs ? "--collapse" : "",
             // trimming options
-            params.shortread_qc_skipadaptertrim ? "--adapter1 '' --adapter2 ''" : "",
-            params.shortread_qc_adapter1 ? "--adapter1 ${params.shortread_qc_adapter1}" : "",
-            params.shortread_qc_adapter2 ? "--adapter2 ${params.shortread_qc_adapter2}" : "",
+            params.shortread_qc_skipadaptertrim ? "--adapter1 ''" : params.shortread_qc_adapterlist ? "" : params.shortread_qc_adapter1 ? "--adapter1 ${params.shortread_qc_adapter1}" : "", // adding adapter list happens at module input channel level
+            params.shortread_qc_skipadaptertrim ? "--adapter2 ''" : params.shortread_qc_adapterlist ? "" : params.shortread_qc_adapter2 ? "--adapter2 ${params.shortread_qc_adapter2}" : "",
             // filtering options
             "--minlength ${params.shortread_qc_minlength}"
         ].join(' ').trim()
diff --git a/modules.json b/modules.json
index aa77c4e..ab32eec 100644
--- a/modules.json
+++ b/modules.json
@@ -7,7 +7,7 @@
                 "nf-core": {
                     "adapterremoval": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "ce7cf27e377fdacf7ebe8e75903ec70405ea1659"
                     },
                     "bbmap/bbduk": {
                         "branch": "master",
diff --git a/modules/nf-core/adapterremoval/main.nf b/modules/nf-core/adapterremoval/main.nf
index 0e17c05..643c141 100644
--- a/modules/nf-core/adapterremoval/main.nf
+++ b/modules/nf-core/adapterremoval/main.nf
@@ -34,7 +34,7 @@ process ADAPTERREMOVAL {
         AdapterRemoval  \\
             --file1 $reads \\
             $args \\
-            $adapterlist \\
+            $list \\
             --basename ${prefix} \\
             --threads ${task.cpus} \\
             --seed 42 \\
@@ -61,7 +61,7 @@ process ADAPTERREMOVAL {
             --file1 ${reads[0]} \\
             --file2 ${reads[1]} \\
             $args \\
-            $adapterlist \\
+            $list \\
             --basename ${prefix} \\
             --threads $task.cpus \\
             --seed 42 \\
diff --git a/nextflow.config b/nextflow.config
index b69948e..9bf7f83 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -59,9 +59,9 @@ params {
     // Databases
     databases = null
 
+    // FASTQ preprocessing
     preprocessing_qc_tool            = 'fastqc'
 
-    // FASTQ preprocessing
     perform_shortread_qc             = false
     shortread_qc_tool                = 'fastp'
     shortread_qc_skipadaptertrim     = false
@@ -69,6 +69,7 @@ params {
     shortread_qc_excludeunmerged     = false
     shortread_qc_adapter1            = null
     shortread_qc_adapter2            = null
+    shortread_qc_adapterlist         = null // TODO Add for FASTP
     shortread_qc_minlength           = 15
 
     perform_longread_qc                   = false
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 4479f54..59131b6 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,7 +10,11 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["input", "outdir", "databases"],
+            "required": [
+                "input",
+                "databases",
+                "outdir"
+            ],
             "properties": {
                 "input": {
                     "type": "string",
@@ -80,7 +84,10 @@
                 "shortread_qc_tool": {
                     "type": "string",
                     "default": "fastp",
-                    "enum": ["fastp", "adapterremoval"],
+                    "enum": [
+                        "fastp",
+                        "adapterremoval"
+                    ],
                     "fa_icon": "fas fa-tools",
                     "description": "Specify which tool to use for short-read QC"
                 },
@@ -104,6 +111,12 @@
                     "description": "Specify adapter 2 nucleotide sequence",
                     "help_text": "Specify a custom reverse or R2 adapter sequence to be removed from reads. \n\nIf not set, the selected short-read QC tool's defaults will be used.\n\n> Modifies tool parameter(s):\n> - fastp: `--adapter_sequence`. fastp default: `AGATCGGAAGAGCGTCGTGTAGGGAAAGAGTGT`\n> - AdapterRemoval: `--adapter1`. AdapteRemoval2 default: `AGATCGGAAGAGCGTCGTGTAGGGAAAGAGTGTAGATCTCGGTGGTCGCCGTATCATT`"
                 },
+                "shortread_qc_adapterlist": {
+                    "type": "string",
+                    "default": "None",
+                    "fa_icon": "fas fa-list-ul",
+                    "help_text": "This affects AdapterRemoval. It will replace default adapters or whatever is supplied in `--shortread_qc_adapter{1,2}`.\n\nThis allows you to mix libraries built with different adapters into one run.\n\n> Modifies tool parameter(s):\n> - AdapterRemoval: `--adapter-list`."
+                },
                 "shortread_qc_mergepairs": {
                     "type": "boolean",
                     "fa_icon": "fas fa-toggle-on",
@@ -133,7 +146,11 @@
                 "shortread_complexityfilter_tool": {
                     "type": "string",
                     "default": "bbduk",
-                    "enum": ["bbduk", "prinseqplusplus", "fastp"],
+                    "enum": [
+                        "bbduk",
+                        "prinseqplusplus",
+                        "fastp"
+                    ],
                     "fa_icon": "fas fa-hammer",
                     "description": "Specify which tool to use for complexity filtering"
                 },
@@ -167,7 +184,10 @@
                 "shortread_complexityfilter_prinseqplusplus_mode": {
                     "type": "string",
                     "default": "entropy",
-                    "enum": ["entropy", "dust"],
+                    "enum": [
+                        "entropy",
+                        "dust"
+                    ],
                     "fa_icon": "fas fa-check-square",
                     "description": "Specify the complexity filter mode for PRINSEQ++"
                 },
@@ -341,7 +361,15 @@
                 "diamond_output_format": {
                     "type": "string",
                     "default": "tsv",
-                    "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"],
+                    "enum": [
+                        "blast",
+                        "xml",
+                        "txt",
+                        "daa",
+                        "sam",
+                        "tsv",
+                        "paf"
+                    ],
                     "fa_icon": "fas fa-file",
                     "description": "Specify output format from DIAMOND profiling.",
                     "help_text": "DIAMOND can produce output in a number of different formats, you can specify here which to produce.\n\nNote that DIAMOND can only produce one format at a time, and depending on which you pick, some downstream steps may not be executed. For example, selecting `daa` or `sam` will mean you will not get a tabular taxonomic profile as with the other tools.\n\nWill be overriden by `--diamond_save_reads.`\n\n> Modifies tool parameter(s):\n> - diamond blastx: `--outfmt`"
@@ -360,7 +388,14 @@
                 "kaiju_taxon_rank": {
                     "type": "string",
                     "default": "species",
-                    "enum": ["phylum", "class", "order", "family", "genus", "species"],
+                    "enum": [
+                        "phylum",
+                        "class",
+                        "order",
+                        "family",
+                        "genus",
+                        "species"
+                    ],
                     "fa_icon": "fas fa-tag",
                     "description": "Specify taxonomic rank to be displayed in Kaiju taxon table",
                     "help_text": "Specify the taxonomic level(s) to be displayed in the resulting Kaiju taxon table, as generated by the kaiju2table helper tool.\n\nThis can be either a single level (e.g. `species`), or a comma separated list to display the full taxonomic path (e.g. `superkingdom,phylum,class,order,family,genus,species.`).\n\n> Modifies tool parameter(s):\n> - kaiju2table: `-l`"
@@ -555,7 +590,14 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
+                    "enum": [
+                        "symlink",
+                        "rellink",
+                        "link",
+                        "copy",
+                        "copyNoFollow",
+                        "move"
+                    ],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -711,10 +753,7 @@
     "properties": {
         "preprocessing_qc_tool": {
             "type": "string",
-            "default": "fastqc",
-            "enum": ["fastqc", "falco"],
-            "help_text": "Falco is designed as a drop-in replacement for FastQC but written in C++ for faster computation. We particularly recommend using falco when using long reads (due to reduced memory constraints), however is also applicable for short reads.",
-            "description": "Specify the tool used for quality control of raw sequencing reads"
+            "default": "fastqc"
         }
     }
 }
diff --git a/subworkflows/local/shortread_adapterremoval.nf b/subworkflows/local/shortread_adapterremoval.nf
index a5a43fe..6567007 100644
--- a/subworkflows/local/shortread_adapterremoval.nf
+++ b/subworkflows/local/shortread_adapterremoval.nf
@@ -10,6 +10,7 @@ workflow SHORTREAD_ADAPTERREMOVAL {
 
     take:
     reads // [[meta], [reads]]
+    adapterlist // file
 
     main:
     ch_versions = Channel.empty()
@@ -21,8 +22,8 @@ workflow SHORTREAD_ADAPTERREMOVAL {
                                         paired: !it[0].single_end
                                     }
 
-    ADAPTERREMOVAL_SINGLE ( ch_input_for_adapterremoval.single, [] )
-    ADAPTERREMOVAL_PAIRED ( ch_input_for_adapterremoval.paired, [] )
+    ADAPTERREMOVAL_SINGLE ( ch_input_for_adapterremoval.single, adapterlist )
+    ADAPTERREMOVAL_PAIRED ( ch_input_for_adapterremoval.paired, adapterlist )
 
     /*
      * Due to the ~slightly~ very ugly output implementation of the current AdapterRemoval2 version, each file
diff --git a/subworkflows/local/shortread_preprocessing.nf b/subworkflows/local/shortread_preprocessing.nf
index f2cd738..6e14423 100644
--- a/subworkflows/local/shortread_preprocessing.nf
+++ b/subworkflows/local/shortread_preprocessing.nf
@@ -11,6 +11,7 @@ include { FALCO as FALCO_PROCESSED    } from '../../modules/nf-core/falco/main'
 workflow SHORTREAD_PREPROCESSING {
     take:
     reads //  [ [ meta ], [ reads ] ]
+    adapterlist // file
 
     main:
     ch_versions       = Channel.empty()
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 1ac519c..e6ccc16 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -12,7 +12,8 @@ WorkflowTaxprofiler.initialise(params, log)
 // TODO nf-core: Add all file path parameters for the pipeline to the list below
 // Check input path parameters to see if they exist
 def checkPathParamList = [ params.input, params.databases, params.hostremoval_reference,
-                            params.shortread_hostremoval_index, params.multiqc_config
+                            params.shortread_hostremoval_index, params.multiqc_config,
+                            params.shortread_qc_adapterlist
                         ]
 for (param in checkPathParamList) { if (param) { file(param, checkIfExists: true) } }
 
@@ -102,6 +103,7 @@ workflow TAXPROFILER {
 
     ch_versions = Channel.empty()
     ch_multiqc_logo= Channel.fromPath("$projectDir/docs/images/nf-core-taxprofiler_logo_custom_light.png")
+    ch_adapterlist_for_shortreadqc = params.shortread_qc_adapterlist ? file(params.shortread_qc_adapterlist) : []
 
     /*
         SUBWORKFLOW: Read in samplesheet, validate and stage input files
@@ -131,8 +133,11 @@ workflow TAXPROFILER {
     /*
         SUBWORKFLOW: PERFORM PREPROCESSING
     */
+
+    ch_adapterlist_for_shortreadqc
+
     if ( params.perform_shortread_qc ) {
-        ch_shortreads_preprocessed = SHORTREAD_PREPROCESSING ( INPUT_CHECK.out.fastq ).reads
+        ch_shortreads_preprocessed = SHORTREAD_PREPROCESSING ( INPUT_CHECK.out.fastq, ch_adapterlist_for_shortreadqc ).reads
         ch_versions = ch_versions.mix( SHORTREAD_PREPROCESSING.out.versions )
     } else {
         ch_shortreads_preprocessed = INPUT_CHECK.out.fastq

From 733d3dc8c57078a7c2032ef028429aefc552e3de Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Thu, 27 Oct 2022 14:19:28 +0200
Subject: [PATCH 426/789] Apply suggestions from code review

---
 nextflow_schema.json | 5 ++++-
 1 file changed, 4 insertions(+), 1 deletion(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 59131b6..5c60775 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -753,7 +753,10 @@
     "properties": {
         "preprocessing_qc_tool": {
             "type": "string",
-            "default": "fastqc"
+            "default": "fastqc",
+            "enum": ["fastqc", "falco"],
+            "help_text": "Falco is designed as a drop-in replacement for FastQC but written in C++ for faster computation. We particularly recommend using falco when using long reads (due to reduced memory constraints), however is also applicable for short reads.",
+            "description": "Specify the tool used for quality control of raw sequencing reads"
         }
     }
 }

From a402ee3be200089757096207dba17cb1b4ffb5a6 Mon Sep 17 00:00:00 2001
From: nf-core-bot <core@nf-co.re>
Date: Thu, 27 Oct 2022 12:20:08 +0000
Subject: [PATCH 427/789] [automated] Fix linting with Prettier

---
 nextflow_schema.json | 50 +++++++-------------------------------------
 1 file changed, 7 insertions(+), 43 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 5c60775..04ba938 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,11 +10,7 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": [
-                "input",
-                "databases",
-                "outdir"
-            ],
+            "required": ["input", "databases", "outdir"],
             "properties": {
                 "input": {
                     "type": "string",
@@ -84,10 +80,7 @@
                 "shortread_qc_tool": {
                     "type": "string",
                     "default": "fastp",
-                    "enum": [
-                        "fastp",
-                        "adapterremoval"
-                    ],
+                    "enum": ["fastp", "adapterremoval"],
                     "fa_icon": "fas fa-tools",
                     "description": "Specify which tool to use for short-read QC"
                 },
@@ -146,11 +139,7 @@
                 "shortread_complexityfilter_tool": {
                     "type": "string",
                     "default": "bbduk",
-                    "enum": [
-                        "bbduk",
-                        "prinseqplusplus",
-                        "fastp"
-                    ],
+                    "enum": ["bbduk", "prinseqplusplus", "fastp"],
                     "fa_icon": "fas fa-hammer",
                     "description": "Specify which tool to use for complexity filtering"
                 },
@@ -184,10 +173,7 @@
                 "shortread_complexityfilter_prinseqplusplus_mode": {
                     "type": "string",
                     "default": "entropy",
-                    "enum": [
-                        "entropy",
-                        "dust"
-                    ],
+                    "enum": ["entropy", "dust"],
                     "fa_icon": "fas fa-check-square",
                     "description": "Specify the complexity filter mode for PRINSEQ++"
                 },
@@ -361,15 +347,7 @@
                 "diamond_output_format": {
                     "type": "string",
                     "default": "tsv",
-                    "enum": [
-                        "blast",
-                        "xml",
-                        "txt",
-                        "daa",
-                        "sam",
-                        "tsv",
-                        "paf"
-                    ],
+                    "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"],
                     "fa_icon": "fas fa-file",
                     "description": "Specify output format from DIAMOND profiling.",
                     "help_text": "DIAMOND can produce output in a number of different formats, you can specify here which to produce.\n\nNote that DIAMOND can only produce one format at a time, and depending on which you pick, some downstream steps may not be executed. For example, selecting `daa` or `sam` will mean you will not get a tabular taxonomic profile as with the other tools.\n\nWill be overriden by `--diamond_save_reads.`\n\n> Modifies tool parameter(s):\n> - diamond blastx: `--outfmt`"
@@ -388,14 +366,7 @@
                 "kaiju_taxon_rank": {
                     "type": "string",
                     "default": "species",
-                    "enum": [
-                        "phylum",
-                        "class",
-                        "order",
-                        "family",
-                        "genus",
-                        "species"
-                    ],
+                    "enum": ["phylum", "class", "order", "family", "genus", "species"],
                     "fa_icon": "fas fa-tag",
                     "description": "Specify taxonomic rank to be displayed in Kaiju taxon table",
                     "help_text": "Specify the taxonomic level(s) to be displayed in the resulting Kaiju taxon table, as generated by the kaiju2table helper tool.\n\nThis can be either a single level (e.g. `species`), or a comma separated list to display the full taxonomic path (e.g. `superkingdom,phylum,class,order,family,genus,species.`).\n\n> Modifies tool parameter(s):\n> - kaiju2table: `-l`"
@@ -590,14 +561,7 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": [
-                        "symlink",
-                        "rellink",
-                        "link",
-                        "copy",
-                        "copyNoFollow",
-                        "move"
-                    ],
+                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
                     "hidden": true
                 },
                 "email_on_fail": {

From 08d61065e5fe4bbae15b93690bf77331be89785e Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Thu, 27 Oct 2022 12:23:27 +0000
Subject: [PATCH 428/789] Add adapterlist to AR2 subworkflow

---
 subworkflows/local/shortread_preprocessing.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/shortread_preprocessing.nf b/subworkflows/local/shortread_preprocessing.nf
index 6e14423..d381d34 100644
--- a/subworkflows/local/shortread_preprocessing.nf
+++ b/subworkflows/local/shortread_preprocessing.nf
@@ -22,7 +22,7 @@ workflow SHORTREAD_PREPROCESSING {
         ch_versions        =  ch_versions.mix( SHORTREAD_FASTP.out.versions )
         ch_multiqc_files   =  ch_multiqc_files.mix( SHORTREAD_FASTP.out.mqc )
     } else if ( params.shortread_qc_tool == "adapterremoval" ) {
-        ch_processed_reads = SHORTREAD_ADAPTERREMOVAL ( reads ).reads
+        ch_processed_reads = SHORTREAD_ADAPTERREMOVAL ( reads, adapterlist ).reads
         ch_versions        = ch_versions.mix( SHORTREAD_ADAPTERREMOVAL.out.versions )
         ch_multiqc_files   = ch_multiqc_files.mix( SHORTREAD_ADAPTERREMOVAL.out.mqc )
     } else {

From 1bd6dbfe58b16d3115ff214295dd6835a6a8f4d5 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Fri, 28 Oct 2022 11:40:50 +0200
Subject: [PATCH 429/789] Add samtools stats for long-reads

---
 assets/multiqc_config.yml                  |  1 +
 modules.json                               |  8 ++++
 modules/nf-core/samtools/index/main.nf     | 48 ++++++++++++++++++++
 modules/nf-core/samtools/index/meta.yml    | 53 ++++++++++++++++++++++
 modules/nf-core/samtools/stats/main.nf     | 49 ++++++++++++++++++++
 modules/nf-core/samtools/stats/meta.yml    | 53 ++++++++++++++++++++++
 subworkflows/local/longread_hostremoval.nf | 15 ++++++
 workflows/taxprofiler.nf                   |  4 ++
 8 files changed, 231 insertions(+)
 create mode 100644 modules/nf-core/samtools/index/main.nf
 create mode 100644 modules/nf-core/samtools/index/meta.yml
 create mode 100644 modules/nf-core/samtools/stats/main.nf
 create mode 100644 modules/nf-core/samtools/stats/meta.yml

diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml
index e2b5a6e..e4a04a9 100644
--- a/assets/multiqc_config.yml
+++ b/assets/multiqc_config.yml
@@ -21,6 +21,7 @@ run_modules:
   - adapterRemoval
   - fastp
   - bowtie2
+  - samtools
   - kraken
   - malt
   - custom_content
diff --git a/modules.json b/modules.json
index bcf2567..be3d193 100644
--- a/modules.json
+++ b/modules.json
@@ -153,6 +153,14 @@
                         "branch": "master",
                         "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
                     },
+                    "samtools/index": {
+                        "branch": "master",
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                    },
+                    "samtools/stats": {
+                        "branch": "master",
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                    },
                     "samtools/view": {
                         "branch": "master",
                         "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
diff --git a/modules/nf-core/samtools/index/main.nf b/modules/nf-core/samtools/index/main.nf
new file mode 100644
index 0000000..e04e63e
--- /dev/null
+++ b/modules/nf-core/samtools/index/main.nf
@@ -0,0 +1,48 @@
+process SAMTOOLS_INDEX {
+    tag "$meta.id"
+    label 'process_low'
+
+    conda (params.enable_conda ? "bioconda::samtools=1.15.1" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/samtools:1.15.1--h1170115_0' :
+        'quay.io/biocontainers/samtools:1.15.1--h1170115_0' }"
+
+    input:
+    tuple val(meta), path(input)
+
+    output:
+    tuple val(meta), path("*.bai") , optional:true, emit: bai
+    tuple val(meta), path("*.csi") , optional:true, emit: csi
+    tuple val(meta), path("*.crai"), optional:true, emit: crai
+    path  "versions.yml"           , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    """
+    samtools \\
+        index \\
+        -@ ${task.cpus-1} \\
+        $args \\
+        $input
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//')
+    END_VERSIONS
+    """
+
+    stub:
+    """
+    touch ${input}.bai
+    touch ${input}.crai
+    touch ${input}.csi
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//')
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/samtools/index/meta.yml b/modules/nf-core/samtools/index/meta.yml
new file mode 100644
index 0000000..e5cadbc
--- /dev/null
+++ b/modules/nf-core/samtools/index/meta.yml
@@ -0,0 +1,53 @@
+name: samtools_index
+description: Index SAM/BAM/CRAM file
+keywords:
+  - index
+  - bam
+  - sam
+  - cram
+tools:
+  - samtools:
+      description: |
+        SAMtools is a set of utilities for interacting with and post-processing
+        short DNA sequence read alignments in the SAM, BAM and CRAM formats, written by Heng Li.
+        These files are generated as output by short read aligners like BWA.
+      homepage: http://www.htslib.org/
+      documentation: hhttp://www.htslib.org/doc/samtools.html
+      doi: 10.1093/bioinformatics/btp352
+      licence: ["MIT"]
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - bam:
+      type: file
+      description: BAM/CRAM/SAM file
+      pattern: "*.{bam,cram,sam}"
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - bai:
+      type: file
+      description: BAM/CRAM/SAM index file
+      pattern: "*.{bai,crai,sai}"
+  - crai:
+      type: file
+      description: BAM/CRAM/SAM index file
+      pattern: "*.{bai,crai,sai}"
+  - csi:
+      type: file
+      description: CSI index file
+      pattern: "*.{csi}"
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+authors:
+  - "@drpatelh"
+  - "@ewels"
+  - "@maxulysse"
diff --git a/modules/nf-core/samtools/stats/main.nf b/modules/nf-core/samtools/stats/main.nf
new file mode 100644
index 0000000..9b0c386
--- /dev/null
+++ b/modules/nf-core/samtools/stats/main.nf
@@ -0,0 +1,49 @@
+process SAMTOOLS_STATS {
+    tag "$meta.id"
+    label 'process_single'
+
+    conda (params.enable_conda ? "bioconda::samtools=1.15.1" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/samtools:1.15.1--h1170115_0' :
+        'quay.io/biocontainers/samtools:1.15.1--h1170115_0' }"
+
+    input:
+    tuple val(meta), path(input), path(input_index)
+    path fasta
+
+    output:
+    tuple val(meta), path("*.stats"), emit: stats
+    path  "versions.yml"            , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    def reference = fasta ? "--reference ${fasta}" : ""
+    """
+    samtools \\
+        stats \\
+        --threads ${task.cpus} \\
+        ${reference} \\
+        ${input} \\
+        > ${prefix}.stats
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//')
+    END_VERSIONS
+    """
+
+    stub:
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    """
+    touch ${prefix}.stats
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//')
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/samtools/stats/meta.yml b/modules/nf-core/samtools/stats/meta.yml
new file mode 100644
index 0000000..cac50b1
--- /dev/null
+++ b/modules/nf-core/samtools/stats/meta.yml
@@ -0,0 +1,53 @@
+name: samtools_stats
+description: Produces comprehensive statistics from SAM/BAM/CRAM file
+keywords:
+  - statistics
+  - counts
+  - bam
+  - sam
+  - cram
+tools:
+  - samtools:
+      description: |
+        SAMtools is a set of utilities for interacting with and post-processing
+        short DNA sequence read alignments in the SAM, BAM and CRAM formats, written by Heng Li.
+        These files are generated as output by short read aligners like BWA.
+      homepage: http://www.htslib.org/
+      documentation: hhttp://www.htslib.org/doc/samtools.html
+      doi: 10.1093/bioinformatics/btp352
+      licence: ["MIT"]
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - input:
+    type: file
+    description: BAM/CRAM file from alignment
+    pattern: "*.{bam,cram}"
+  - input_index:
+    type: file
+    description: BAI/CRAI file from alignment
+    pattern: "*.{bai,crai}"
+  - fasta:
+      type: optional file
+      description: Reference file the CRAM was created with
+      pattern: "*.{fasta,fa}"
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - stats:
+      type: file
+      description: File containing samtools stats output
+      pattern: "*.{stats}"
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+authors:
+  - "@drpatelh"
+  - "@FriederikeHanssen"
diff --git a/subworkflows/local/longread_hostremoval.nf b/subworkflows/local/longread_hostremoval.nf
index 82ea8ca..fb79e12 100644
--- a/subworkflows/local/longread_hostremoval.nf
+++ b/subworkflows/local/longread_hostremoval.nf
@@ -6,6 +6,8 @@ include { MINIMAP2_INDEX             } from '../../modules/nf-core/minimap2/inde
 include { MINIMAP2_ALIGN             } from '../../modules/nf-core/minimap2/align/main'
 include { SAMTOOLS_VIEW              } from '../../modules/nf-core/samtools/view/main'
 include { SAMTOOLS_BAM2FQ            } from '../../modules/nf-core/samtools/bam2fq/main'
+include { SAMTOOLS_INDEX             } from '../../modules/nf-core/samtools/index/main'
+include { SAMTOOLS_STATS             } from '../../modules/nf-core/samtools/stats/main'
 
 workflow LONGREAD_HOSTREMOVAL {
     take:
@@ -39,9 +41,22 @@ workflow LONGREAD_HOSTREMOVAL {
     SAMTOOLS_BAM2FQ ( SAMTOOLS_VIEW.out.bam, false )
     ch_versions      = ch_versions.mix( SAMTOOLS_BAM2FQ.out.versions.first() )
 
+    SAMTOOLS_INDEX ( SAMTOOLS_VIEW.out.bam )
+    ch_versions      = ch_versions.mix( SAMTOOLS_INDEX.out.versions.first() )
+
+    SAMTOOLS_VIEW.out.bam
+        .join(SAMTOOLS_INDEX.out.bai, by: [0], remainder: true)
+        .set { bam_bai }
+
+    SAMTOOLS_STATS ( bam_bai, reference )
+    ch_versions = ch_versions.mix(SAMTOOLS_STATS.out.versions.first())
+    ch_multiqc_files = ch_multiqc_files.mix( SAMTOOLS_STATS.out.stats )
+
 
     emit:
+    stats    = SAMTOOLS_STATS.out.stats     //channel: [val(meta), [reads  ] ]
     reads    = SAMTOOLS_BAM2FQ.out.reads   // channel: [ val(meta), [ reads ] ]
     versions = ch_versions                 // channel: [ versions.yml ]
+    mqc      = ch_multiqc_files
 }
 
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index b456b06..07660ab 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -281,6 +281,10 @@ workflow TAXPROFILER {
         ch_multiqc_files = ch_multiqc_files.mix(SHORTREAD_HOSTREMOVAL.out.mqc.collect{it[1]}.ifEmpty([]))
     }
 
+     if (params.perform_longread_hostremoval) {
+        ch_multiqc_files = ch_multiqc_files.mix(LONGREAD_HOSTREMOVAL.out.mqc.collect{it[1]}.ifEmpty([]))
+    }
+
     ch_multiqc_files = ch_multiqc_files.mix( PROFILING.out.mqc.collect{it[1]}.ifEmpty([]) )
 
     if ( params.run_profile_standardisation ) {

From f87131c7b1c212c3169b0ee3d6462eaa72d2a021 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Fri, 28 Oct 2022 14:10:24 +0200
Subject: [PATCH 430/789] Save samtools stats output

---
 conf/modules.config | 10 ++++++++++
 1 file changed, 10 insertions(+)

diff --git a/conf/modules.config b/conf/modules.config
index a4d36fd..397e0c2 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -233,6 +233,16 @@ process {
         ]
     }
 
+    withName: SAMTOOLS_STATS {
+        ext.prefix = { "${meta.id}_${meta.run_accession}" }
+        publishDir = [
+            path: { "${params.outdir}/samtools/stats" },
+            mode: params.publish_dir_mode,
+            enabled: params.save_hostremoval_unmapped,
+            pattern: '*stats'
+        ]
+    }
+
     withName: BBMAP_BBDUK {
         ext.args =  [
                 "entropy=${params.shortread_complexityfilter_entropy}",

From 5b99d9024aeafcad5256d534d08c7cd7a2b79d70 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Fri, 28 Oct 2022 14:24:33 +0200
Subject: [PATCH 431/789] Add samtools stats for short-reads

---
 assets/multiqc_config.yml                   |  1 +
 conf/modules.config                         | 12 +++++
 modules.json                                |  8 ++++
 modules/nf-core/samtools/index/main.nf      | 48 +++++++++++++++++++
 modules/nf-core/samtools/index/meta.yml     | 53 +++++++++++++++++++++
 modules/nf-core/samtools/stats/main.nf      | 49 +++++++++++++++++++
 modules/nf-core/samtools/stats/meta.yml     | 53 +++++++++++++++++++++
 subworkflows/local/shortread_hostremoval.nf | 12 +++++
 8 files changed, 236 insertions(+)
 create mode 100644 modules/nf-core/samtools/index/main.nf
 create mode 100644 modules/nf-core/samtools/index/meta.yml
 create mode 100644 modules/nf-core/samtools/stats/main.nf
 create mode 100644 modules/nf-core/samtools/stats/meta.yml

diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml
index e2b5a6e..e4a04a9 100644
--- a/assets/multiqc_config.yml
+++ b/assets/multiqc_config.yml
@@ -21,6 +21,7 @@ run_modules:
   - adapterRemoval
   - fastp
   - bowtie2
+  - samtools
   - kraken
   - malt
   - custom_content
diff --git a/conf/modules.config b/conf/modules.config
index a4d36fd..476ca11 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -233,6 +233,18 @@ process {
         ]
     }
 
+     withName: SAMTOOLS_STATS {
+        ext.prefix = { "${meta.id}_${meta.run_accession}" }
+        publishDir = [
+            path: { "${params.outdir}/samtools/stats" },
+            mode: params.publish_dir_mode,
+            enabled: params.save_hostremoval_unmapped,
+            pattern: '*stats'
+        ]
+    }
+
+
+
     withName: BBMAP_BBDUK {
         ext.args =  [
                 "entropy=${params.shortread_complexityfilter_entropy}",
diff --git a/modules.json b/modules.json
index bcf2567..be3d193 100644
--- a/modules.json
+++ b/modules.json
@@ -153,6 +153,14 @@
                         "branch": "master",
                         "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
                     },
+                    "samtools/index": {
+                        "branch": "master",
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                    },
+                    "samtools/stats": {
+                        "branch": "master",
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                    },
                     "samtools/view": {
                         "branch": "master",
                         "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
diff --git a/modules/nf-core/samtools/index/main.nf b/modules/nf-core/samtools/index/main.nf
new file mode 100644
index 0000000..e04e63e
--- /dev/null
+++ b/modules/nf-core/samtools/index/main.nf
@@ -0,0 +1,48 @@
+process SAMTOOLS_INDEX {
+    tag "$meta.id"
+    label 'process_low'
+
+    conda (params.enable_conda ? "bioconda::samtools=1.15.1" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/samtools:1.15.1--h1170115_0' :
+        'quay.io/biocontainers/samtools:1.15.1--h1170115_0' }"
+
+    input:
+    tuple val(meta), path(input)
+
+    output:
+    tuple val(meta), path("*.bai") , optional:true, emit: bai
+    tuple val(meta), path("*.csi") , optional:true, emit: csi
+    tuple val(meta), path("*.crai"), optional:true, emit: crai
+    path  "versions.yml"           , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    """
+    samtools \\
+        index \\
+        -@ ${task.cpus-1} \\
+        $args \\
+        $input
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//')
+    END_VERSIONS
+    """
+
+    stub:
+    """
+    touch ${input}.bai
+    touch ${input}.crai
+    touch ${input}.csi
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//')
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/samtools/index/meta.yml b/modules/nf-core/samtools/index/meta.yml
new file mode 100644
index 0000000..e5cadbc
--- /dev/null
+++ b/modules/nf-core/samtools/index/meta.yml
@@ -0,0 +1,53 @@
+name: samtools_index
+description: Index SAM/BAM/CRAM file
+keywords:
+  - index
+  - bam
+  - sam
+  - cram
+tools:
+  - samtools:
+      description: |
+        SAMtools is a set of utilities for interacting with and post-processing
+        short DNA sequence read alignments in the SAM, BAM and CRAM formats, written by Heng Li.
+        These files are generated as output by short read aligners like BWA.
+      homepage: http://www.htslib.org/
+      documentation: hhttp://www.htslib.org/doc/samtools.html
+      doi: 10.1093/bioinformatics/btp352
+      licence: ["MIT"]
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - bam:
+      type: file
+      description: BAM/CRAM/SAM file
+      pattern: "*.{bam,cram,sam}"
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - bai:
+      type: file
+      description: BAM/CRAM/SAM index file
+      pattern: "*.{bai,crai,sai}"
+  - crai:
+      type: file
+      description: BAM/CRAM/SAM index file
+      pattern: "*.{bai,crai,sai}"
+  - csi:
+      type: file
+      description: CSI index file
+      pattern: "*.{csi}"
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+authors:
+  - "@drpatelh"
+  - "@ewels"
+  - "@maxulysse"
diff --git a/modules/nf-core/samtools/stats/main.nf b/modules/nf-core/samtools/stats/main.nf
new file mode 100644
index 0000000..9b0c386
--- /dev/null
+++ b/modules/nf-core/samtools/stats/main.nf
@@ -0,0 +1,49 @@
+process SAMTOOLS_STATS {
+    tag "$meta.id"
+    label 'process_single'
+
+    conda (params.enable_conda ? "bioconda::samtools=1.15.1" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/samtools:1.15.1--h1170115_0' :
+        'quay.io/biocontainers/samtools:1.15.1--h1170115_0' }"
+
+    input:
+    tuple val(meta), path(input), path(input_index)
+    path fasta
+
+    output:
+    tuple val(meta), path("*.stats"), emit: stats
+    path  "versions.yml"            , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    def reference = fasta ? "--reference ${fasta}" : ""
+    """
+    samtools \\
+        stats \\
+        --threads ${task.cpus} \\
+        ${reference} \\
+        ${input} \\
+        > ${prefix}.stats
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//')
+    END_VERSIONS
+    """
+
+    stub:
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    """
+    touch ${prefix}.stats
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//')
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/samtools/stats/meta.yml b/modules/nf-core/samtools/stats/meta.yml
new file mode 100644
index 0000000..cac50b1
--- /dev/null
+++ b/modules/nf-core/samtools/stats/meta.yml
@@ -0,0 +1,53 @@
+name: samtools_stats
+description: Produces comprehensive statistics from SAM/BAM/CRAM file
+keywords:
+  - statistics
+  - counts
+  - bam
+  - sam
+  - cram
+tools:
+  - samtools:
+      description: |
+        SAMtools is a set of utilities for interacting with and post-processing
+        short DNA sequence read alignments in the SAM, BAM and CRAM formats, written by Heng Li.
+        These files are generated as output by short read aligners like BWA.
+      homepage: http://www.htslib.org/
+      documentation: hhttp://www.htslib.org/doc/samtools.html
+      doi: 10.1093/bioinformatics/btp352
+      licence: ["MIT"]
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - input:
+    type: file
+    description: BAM/CRAM file from alignment
+    pattern: "*.{bam,cram}"
+  - input_index:
+    type: file
+    description: BAI/CRAI file from alignment
+    pattern: "*.{bai,crai}"
+  - fasta:
+      type: optional file
+      description: Reference file the CRAM was created with
+      pattern: "*.{fasta,fa}"
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - stats:
+      type: file
+      description: File containing samtools stats output
+      pattern: "*.{stats}"
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+authors:
+  - "@drpatelh"
+  - "@FriederikeHanssen"
diff --git a/subworkflows/local/shortread_hostremoval.nf b/subworkflows/local/shortread_hostremoval.nf
index d181a34..a1ed758 100644
--- a/subworkflows/local/shortread_hostremoval.nf
+++ b/subworkflows/local/shortread_hostremoval.nf
@@ -4,6 +4,8 @@
 
 include { BOWTIE2_BUILD             } from '../../modules/nf-core/bowtie2/build/main'
 include { BOWTIE2_ALIGN             } from '../../modules/nf-core/bowtie2/align/main'
+include { SAMTOOLS_INDEX             } from '../../modules/nf-core/samtools/index/main'
+include { SAMTOOLS_STATS             } from '../../modules/nf-core/samtools/stats/main'
 
 workflow SHORTREAD_HOSTREMOVAL {
     take:
@@ -26,7 +28,17 @@ workflow SHORTREAD_HOSTREMOVAL {
     ch_versions      = ch_versions.mix( BOWTIE2_ALIGN.out.versions.first() )
     ch_multiqc_files = ch_multiqc_files.mix( BOWTIE2_ALIGN.out.log )
 
+    SAMTOOLS_INDEX ( BOWTIE2_ALIGN.out.bam )
+
+    bam_bai = BOWTIE2_ALIGN.out.bam
+        .join(SAMTOOLS_INDEX.out.bai, remainder: true)
+
+    SAMTOOLS_STATS ( bam_bai, reference )
+    ch_versions = ch_versions.mix(SAMTOOLS_STATS.out.versions.first())
+    ch_multiqc_files = ch_multiqc_files.mix( SAMTOOLS_STATS.out.stats )
+
     emit:
+    stats    = SAMTOOLS_STATS.out.stats 
     reads    = BOWTIE2_ALIGN.out.fastq   // channel: [ val(meta), [ reads ] ]
     versions = ch_versions               // channel: [ versions.yml ]
     mqc      = ch_multiqc_files

From c4a7d094c8b5327eb6e007540c473fbbc5b94e75 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Fri, 28 Oct 2022 14:33:44 +0200
Subject: [PATCH 432/789] Fix EditorConfig check

---
 conf/modules.config | 2 --
 1 file changed, 2 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 476ca11..065f017 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -243,8 +243,6 @@ process {
         ]
     }
 
-
-
     withName: BBMAP_BBDUK {
         ext.args =  [
                 "entropy=${params.shortread_complexityfilter_entropy}",

From f1778acf35a6b5e9e00601441e982acf401bdaec Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Mon, 31 Oct 2022 09:31:13 +0100
Subject: [PATCH 433/789] Apply review suggestion

---
 subworkflows/local/longread_hostremoval.nf | 5 ++---
 1 file changed, 2 insertions(+), 3 deletions(-)

diff --git a/subworkflows/local/longread_hostremoval.nf b/subworkflows/local/longread_hostremoval.nf
index fb79e12..5f3f746 100644
--- a/subworkflows/local/longread_hostremoval.nf
+++ b/subworkflows/local/longread_hostremoval.nf
@@ -44,9 +44,8 @@ workflow LONGREAD_HOSTREMOVAL {
     SAMTOOLS_INDEX ( SAMTOOLS_VIEW.out.bam )
     ch_versions      = ch_versions.mix( SAMTOOLS_INDEX.out.versions.first() )
 
-    SAMTOOLS_VIEW.out.bam
-        .join(SAMTOOLS_INDEX.out.bai, by: [0], remainder: true)
-        .set { bam_bai }
+    bam_bai = SAMTOOLS_VIEW.out.bam
+        .join(SAMTOOLS_INDEX.out.bai, remainder: true)
 
     SAMTOOLS_STATS ( bam_bai, reference )
     ch_versions = ch_versions.mix(SAMTOOLS_STATS.out.versions.first())

From ce611d6efdbde1b6d5fbbd4a9df663d5510458d5 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Mon, 31 Oct 2022 10:04:51 +0100
Subject: [PATCH 434/789] Add bowtie2 mapped reads

---
 subworkflows/local/shortread_hostremoval.nf | 21 ++++++++++++++++-----
 1 file changed, 16 insertions(+), 5 deletions(-)

diff --git a/subworkflows/local/shortread_hostremoval.nf b/subworkflows/local/shortread_hostremoval.nf
index a1ed758..426442b 100644
--- a/subworkflows/local/shortread_hostremoval.nf
+++ b/subworkflows/local/shortread_hostremoval.nf
@@ -4,8 +4,9 @@
 
 include { BOWTIE2_BUILD             } from '../../modules/nf-core/bowtie2/build/main'
 include { BOWTIE2_ALIGN             } from '../../modules/nf-core/bowtie2/align/main'
-include { SAMTOOLS_INDEX             } from '../../modules/nf-core/samtools/index/main'
-include { SAMTOOLS_STATS             } from '../../modules/nf-core/samtools/stats/main'
+include { SAMTOOLS_INDEX            } from '../../modules/nf-core/samtools/index/main'
+include { SAMTOOLS_STATS            } from '../../modules/nf-core/samtools/stats/main'
+include { SAMTOOLS_VIEW             } from '../../modules/nf-core/samtools/view/main'
 
 workflow SHORTREAD_HOSTREMOVAL {
     take:
@@ -28,9 +29,19 @@ workflow SHORTREAD_HOSTREMOVAL {
     ch_versions      = ch_versions.mix( BOWTIE2_ALIGN.out.versions.first() )
     ch_multiqc_files = ch_multiqc_files.mix( BOWTIE2_ALIGN.out.log )
 
-    SAMTOOLS_INDEX ( BOWTIE2_ALIGN.out.bam )
+    ch_bowtie2_mapped = BOWTIE2_ALIGN.out.bam
+        .map {
+            meta, reads ->
+                [ meta, reads, [] ]
+        }
 
-    bam_bai = BOWTIE2_ALIGN.out.bam
+    SAMTOOLS_VIEW ( ch_bowtie2_mapped, [], [] )
+    ch_versions      = ch_versions.mix( SAMTOOLS_VIEW.out.versions.first() )
+
+    SAMTOOLS_INDEX ( SAMTOOLS_VIEW.out.bam )
+    ch_versions      = ch_versions.mix( SAMTOOLS_INDEX.out.versions.first() )
+
+    bam_bai = SAMTOOLS_VIEW.out.bam
         .join(SAMTOOLS_INDEX.out.bai, remainder: true)
 
     SAMTOOLS_STATS ( bam_bai, reference )
@@ -38,7 +49,7 @@ workflow SHORTREAD_HOSTREMOVAL {
     ch_multiqc_files = ch_multiqc_files.mix( SAMTOOLS_STATS.out.stats )
 
     emit:
-    stats    = SAMTOOLS_STATS.out.stats 
+    stats    = SAMTOOLS_STATS.out.stats
     reads    = BOWTIE2_ALIGN.out.fastq   // channel: [ val(meta), [ reads ] ]
     versions = ch_versions               // channel: [ versions.yml ]
     mqc      = ch_multiqc_files

From 1d1047374bf4618b0ffb50bc56e2531fb8697aa9 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Mon, 31 Oct 2022 12:09:25 +0100
Subject: [PATCH 435/789] Fix EditorConfig format

---
 conf/modules.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/conf/modules.config b/conf/modules.config
index 065f017..a3efaf1 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -222,7 +222,7 @@ process {
             pattern: '*.bam'
         ]
     }
-
+    
     withName: SAMTOOLS_BAM2FQ {
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [

From a4b5fa9f5750820069c90a621640a23a27823d22 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Mon, 31 Oct 2022 12:17:49 +0100
Subject: [PATCH 436/789] Fix trailing space

---
 conf/modules.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/conf/modules.config b/conf/modules.config
index a3efaf1..c2ed5c1 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -233,7 +233,7 @@ process {
         ]
     }
 
-     withName: SAMTOOLS_STATS {
+    withName: SAMTOOLS_STATS {
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [
             path: { "${params.outdir}/samtools/stats" },

From 0e0c55d3b0092a12be6853bcb070fa0de95230a5 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Mon, 31 Oct 2022 12:35:51 +0100
Subject: [PATCH 437/789] Update modules.config

---
 conf/modules.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/conf/modules.config b/conf/modules.config
index c2ed5c1..397e0c2 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -222,7 +222,7 @@ process {
             pattern: '*.bam'
         ]
     }
-    
+
     withName: SAMTOOLS_BAM2FQ {
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [

From febcbfc05719d28e0c43b385322517f194c335c5 Mon Sep 17 00:00:00 2001
From: Mahwash Jamy <mahwashjamy@gmail.com>
Date: Mon, 31 Oct 2022 16:07:53 +0000
Subject: [PATCH 438/789] add missing parameters to nextflow.config

---
 conf/modules.config | 3 ++-
 nextflow.config     | 5 +++++
 2 files changed, 7 insertions(+), 1 deletion(-)

diff --git a/conf/modules.config b/conf/modules.config
index 8e36c5a..eaa5157 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -335,7 +335,8 @@ process {
 
     withName: KRAKENUNIQ_PRELOADEDKRAKENUNIQ {
         ext.args = { "${meta.db_params}" }
-        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+        // one run with multiple samples, so fix ID to just db name to ensure clean log name
+        ext.prefix = { "${meta.db_name}" }
         publishDir = [
             path: { "${params.outdir}/krakenuniq/${meta.db_name}/" },
             mode: params.publish_dir_mode,
diff --git a/nextflow.config b/nextflow.config
index b369f31..6223db0 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -118,6 +118,11 @@ params {
     kraken2_save_readclassification = false // added directly to module in profiling.nf
     kraken2_save_minimizers         = false
 
+    //krakenuniq
+    run_krakenuniq                      = false
+    krakenuniq_save_reads               = false // added directly to module in profiling.nf
+    krakenuniq_save_readclassifications = false // added directly to module in profiling.nf
+
     // Bracken
     run_bracken = false
 

From 851016e497c01151c8a4bfb2ad93efc6f032f508 Mon Sep 17 00:00:00 2001
From: Mahwash Jamy <mahwashjamy@gmail.com>
Date: Mon, 31 Oct 2022 16:17:40 +0000
Subject: [PATCH 439/789] Update nextflow_scheme.json

---
 nextflow_schema.json | 72 +++++++++++++++++++++++++++++++++++++++-----
 1 file changed, 64 insertions(+), 8 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 21e7e96..c7f4825 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,7 +10,11 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["input", "databases", "outdir"],
+            "required": [
+                "input",
+                "databases",
+                "outdir"
+            ],
             "properties": {
                 "input": {
                     "type": "string",
@@ -80,7 +84,10 @@
                 "shortread_qc_tool": {
                     "type": "string",
                     "default": "fastp",
-                    "enum": ["fastp", "adapterremoval"],
+                    "enum": [
+                        "fastp",
+                        "adapterremoval"
+                    ],
                     "fa_icon": "fas fa-tools",
                     "description": "Specify which tool to use for short-read QC"
                 },
@@ -133,7 +140,11 @@
                 "shortread_complexityfilter_tool": {
                     "type": "string",
                     "default": "bbduk",
-                    "enum": ["bbduk", "prinseqplusplus", "fastp"],
+                    "enum": [
+                        "bbduk",
+                        "prinseqplusplus",
+                        "fastp"
+                    ],
                     "fa_icon": "fas fa-hammer",
                     "description": "Specify which tool to use for complexity filtering"
                 },
@@ -167,7 +178,10 @@
                 "shortread_complexityfilter_prinseqplusplus_mode": {
                     "type": "string",
                     "default": "entropy",
-                    "enum": ["entropy", "dust"],
+                    "enum": [
+                        "entropy",
+                        "dust"
+                    ],
                     "fa_icon": "fas fa-check-square",
                     "description": "Specify the complexity filter mode for PRINSEQ++"
                 },
@@ -341,7 +355,15 @@
                 "diamond_output_format": {
                     "type": "string",
                     "default": "tsv",
-                    "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"],
+                    "enum": [
+                        "blast",
+                        "xml",
+                        "txt",
+                        "daa",
+                        "sam",
+                        "tsv",
+                        "paf"
+                    ],
                     "fa_icon": "fas fa-file",
                     "description": "Specify output format from DIAMOND profiling.",
                     "help_text": "DIAMOND can produce output in a number of different formats, you can specify here which to produce.\n\nNote that DIAMOND can only produce one format at a time, and depending on which you pick, some downstream steps may not be executed. For example, selecting `daa` or `sam` will mean you will not get a tabular taxonomic profile as with the other tools.\n\nWill be overriden by `--diamond_save_reads.`\n\n> Modifies tool parameter(s):\n> - diamond blastx: `--outfmt`"
@@ -360,7 +382,14 @@
                 "kaiju_taxon_rank": {
                     "type": "string",
                     "default": "species",
-                    "enum": ["phylum", "class", "order", "family", "genus", "species"],
+                    "enum": [
+                        "phylum",
+                        "class",
+                        "order",
+                        "family",
+                        "genus",
+                        "species"
+                    ],
                     "fa_icon": "fas fa-tag",
                     "description": "Specify taxonomic rank to be displayed in Kaiju taxon table",
                     "help_text": "Specify the taxonomic level(s) to be displayed in the resulting Kaiju taxon table, as generated by the kaiju2table helper tool.\n\nThis can be either a single level (e.g. `species`), or a comma separated list to display the full taxonomic path (e.g. `superkingdom,phylum,class,order,family,genus,species.`).\n\n> Modifies tool parameter(s):\n> - kaiju2table: `-l`"
@@ -388,6 +417,23 @@
                     "fa_icon": "fas fa-save",
                     "help_text": "Turn on saving minimizer information in the kraken2 report thus increasing to an eight column layout.\n\nAdds `--report-minimizer-data` to the kraken2 command."
                 },
+                "run_krakenuniq": {
+                    "type": "string",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on profiling with KrakenUniq. Requires database to be present CSV file passed to --databases"
+                },
+                "krakenuniq_save_reads": {
+                    "type": "string",
+                    "fa_icon": "fas fa-save",
+                    "description": "Turn on saving of KrakenUniq-aligned reads",
+                    "help_text": "Save reads that do and do not have a taxonomic classification in your output results directory in FASTQ format.\n\n> Modifies tool parameter(s):\n> - krakenuniq: `--classified-out` and `--unclassified-out`"
+                },
+                "krakenuniq_save_readclassifications": {
+                    "type": "string",
+                    "fa_icon": "fas fa-save",
+                    "description": "Turn on saving of KrakenUniq per-read taxonomic assignment file",
+                    "help_text": "Save a text file that contains a list of each read that had a taxonomic assignment, with information on specific taxonomic taxonomic assignment that that read recieved.\n\n> Modifies tool parameter(s):\n> - krakenuniq: `--output`"
+                },
                 "run_bracken": {
                     "type": "boolean",
                     "description": "Post-process kraken2 reports with Bracken.",
@@ -566,7 +612,14 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
+                    "enum": [
+                        "symlink",
+                        "rellink",
+                        "link",
+                        "copy",
+                        "copyNoFollow",
+                        "move"
+                    ],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -723,7 +776,10 @@
         "preprocessing_qc_tool": {
             "type": "string",
             "default": "fastqc",
-            "enum": ["fastqc", "falco"],
+            "enum": [
+                "fastqc",
+                "falco"
+            ],
             "help_text": "Falco is designed as a drop-in replacement for FastQC but written in C++ for faster computation. We particularly recommend using falco when using long reads (due to reduced memory constraints), however is also applicable for short reads.",
             "description": "Specify the tool used for quality control of raw sequencing reads"
         }

From aecf308840acc8800c766e2bb56896e56dd5f171 Mon Sep 17 00:00:00 2001
From: Mahwash Jamy <mahwashjamy@gmail.com>
Date: Mon, 31 Oct 2022 16:41:35 +0000
Subject: [PATCH 440/789] Update documentation for krakenuniq

---
 CITATIONS.md  |  4 ++++
 docs/usage.md | 17 ++++++++++++++++-
 2 files changed, 20 insertions(+), 1 deletion(-)

diff --git a/CITATIONS.md b/CITATIONS.md
index 0415bf7..daf9022 100644
--- a/CITATIONS.md
+++ b/CITATIONS.md
@@ -36,6 +36,10 @@
 
   > Wood, Derrick E., Jennifer Lu, and Ben Langmead. 2019. Improved Metagenomic Analysis with Kraken 2. Genome Biology 20 (1): 257. doi: 10.1186/s13059-019-1891-0.
 
+- [KrakenUniq](https://doi.org/10.1186/s13059-018-1568-0)
+
+  > Breitwieser, Florian P., Daniel N. Baker, and Steven L. Salzberg. 2018. KrakenUniq: confident and fast metagenomics classification using unique k-mer counts. Genome Biology 19 (1): 198. doi: 10.1186/s13059-018-1568-0
+
 - [Bracken](https://doi.org/10.7717/peerj-cs.104)
 
   > Lu, J., Breitwieser, F. P., Thielen, P., & Salzberg, S. L. (2017). Bracken: Estimating species abundance in metagenomics data. PeerJ Computer Science, 3, e104. doi: 10.7717/peerj-cs.104
diff --git a/docs/usage.md b/docs/usage.md
index 0401540..11e077f 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -74,7 +74,7 @@ The pipeline takes the locations and specific profiling parameters of the tool o
 
 > ⚠️ nf-core/taxprofiler does not provide any databases by default, nor does it currently generate them for you. This must be performed manually by the user. See below for more information of the expected database files.
 
-An example database sheet can look as follows, where 4 tools are being used, and `malt` and `kraken2` will be used against two databases each. This is because specifying `bracken` implies first running `kraken2` on the same database.
+An example database sheet can look as follows, where 5 tools are being used, and `malt` and `kraken2` will be used against two databases each. This is because specifying `bracken` implies first running `kraken2` on the same database.
 
 ```console
 tool,db_name,db_params,db_path
@@ -82,6 +82,7 @@ malt,malt85,-id 85,/<path>/<to>/malt/testdb-malt/
 malt,malt95,-id 90,/<path>/<to>/malt/testdb-malt.tar.gz
 bracken,db1,,/<path>/<to>/bracken/testdb-bracken.tar.gz
 kraken2,db2,--quick,/<path>/<to>/kraken2/testdb-kraken2.tar.gz
+krakenuniq,db3,,/<path>/<to>/krakenuniq/testdb-krakenuniq.tar.gz
 centrifuge,db1,,/<path>/<to>/centrifuge/minigut_cf.tar.gz
 metaphlan3,db1,,/<path>/<to>/metaphlan3/metaphlan_database/
 motus,db_mOTU,,/<path>/<to>/motus/motus_database/
@@ -125,6 +126,20 @@ Expected (uncompressed) database files for each tool are as follows:
   - `database100mers.kraken`
   - `database150mers.kmer_distrib`
   - `database150mers.kraken`
+- **KrakenUniq** output of `krakenuniq-build` command(s) A directory containing:
+  - `opts.k2d`
+  - `hash.k2d`
+  - `taxo.k2d`
+  - `database.idx`
+  - `database.kdb.counts`
+  - `database50mers.kmer_distrib`
+  - `database75mers.kmer_distrib`
+  - `database100mers.kmer_distrib`
+  - `database150mers.kmer_distrib`
+  - `database200mers.kmer_distrib`
+  - `database300mers.kmer_distrib`
+  - `seqid2taxid.map`
+  - `taxDB`
 - **Centrifuge** output of `centrifuge-build`. A directory containing:
   - `<database_name>.<number>.cf`
   - `<database_name>.<number>.cf`

From 3faea8aac574cd42ad3dd85f64f264521a274e18 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Tue, 1 Nov 2022 17:34:37 +0100
Subject: [PATCH 441/789] Fix porechop conflict

---
 modules.json                                   |  4 ++--
 .../nf-core/porechop/{ => porechop}/main.nf    |  3 +--
 .../nf-core/porechop/{ => porechop}/meta.yml   |  2 +-
 subworkflows/local/longread_preprocessing.nf   | 18 +++++++++---------
 4 files changed, 13 insertions(+), 14 deletions(-)
 rename modules/nf-core/porechop/{ => porechop}/main.nf (97%)
 rename modules/nf-core/porechop/{ => porechop}/meta.yml (98%)

diff --git a/modules.json b/modules.json
index be3d193..c0e0a3a 100644
--- a/modules.json
+++ b/modules.json
@@ -141,9 +141,9 @@
                         "branch": "master",
                         "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
                     },
-                    "porechop": {
+                    "porechop/porechop": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "2a4e85eb81875a572bb58133e37f84ba3cc484d7"
                     },
                     "prinseqplusplus": {
                         "branch": "master",
diff --git a/modules/nf-core/porechop/main.nf b/modules/nf-core/porechop/porechop/main.nf
similarity index 97%
rename from modules/nf-core/porechop/main.nf
rename to modules/nf-core/porechop/porechop/main.nf
index 77050bc..f946417 100644
--- a/modules/nf-core/porechop/main.nf
+++ b/modules/nf-core/porechop/porechop/main.nf
@@ -1,4 +1,4 @@
-process PORECHOP {
+process PORECHOP_PORECHOP {
     tag "$meta.id"
     label 'process_medium'
 
@@ -28,7 +28,6 @@ process PORECHOP {
         $args \\
         -o ${prefix}.fastq.gz \\
         > ${prefix}.log
-
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":
         porechop: \$( porechop --version )
diff --git a/modules/nf-core/porechop/meta.yml b/modules/nf-core/porechop/porechop/meta.yml
similarity index 98%
rename from modules/nf-core/porechop/meta.yml
rename to modules/nf-core/porechop/porechop/meta.yml
index e526317..98b838f 100644
--- a/modules/nf-core/porechop/meta.yml
+++ b/modules/nf-core/porechop/porechop/meta.yml
@@ -1,4 +1,4 @@
-name: porechop
+name: "porechop_porechop"
 description: Adapter removal and demultiplexing of Oxford Nanopore reads
 keywords:
   - adapter
diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf
index 3da49ce..961417d 100644
--- a/subworkflows/local/longread_preprocessing.nf
+++ b/subworkflows/local/longread_preprocessing.nf
@@ -5,7 +5,7 @@
 include { FASTQC as FASTQC_PROCESSED } from '../../modules/nf-core/fastqc/main'
 include { FALCO as FALCO_PROCESSED   } from '../../modules/nf-core/falco/main'
 
-include { PORECHOP                   } from '../../modules/nf-core/porechop/main'
+include { PORECHOP_PORECHOP          } from '../../modules/nf-core/porechop/porechop/main'
 include { FILTLONG                   } from '../../modules/nf-core/filtlong/main'
 
 workflow LONGREAD_PREPROCESSING {
@@ -17,9 +17,9 @@ workflow LONGREAD_PREPROCESSING {
     ch_multiqc_files = Channel.empty()
 
     if ( !params.longread_qc_skipadaptertrim && params.longread_qc_skipqualityfilter) {
-        PORECHOP ( reads )
+        PORECHOP_PORECHOP ( reads )
 
-        ch_processed_reads = PORECHOP.out.reads
+        ch_processed_reads = PORECHOP_PORECHOP.out.reads
                                         .map {
                                                 meta, reads ->
                                                 def meta_new = meta.clone()
@@ -27,8 +27,8 @@ workflow LONGREAD_PREPROCESSING {
                                                 [ meta_new, reads ]
                                         }
 
-        ch_versions = ch_versions.mix(PORECHOP.out.versions.first())
-        ch_multiqc_files = ch_multiqc_files.mix( PORECHOP.out.log )
+        ch_versions = ch_versions.mix(PORECHOP_PORECHOP.out.versions.first())
+        ch_multiqc_files = ch_multiqc_files.mix( PORECHOP_PORECHOP.out.log )
 
     } else if ( params.longread_qc_skipadaptertrim && !params.longread_qc_skipqualityfilter) {
 
@@ -37,8 +37,8 @@ workflow LONGREAD_PREPROCESSING {
         ch_multiqc_files = ch_multiqc_files.mix( FILTLONG.out.log )
 
     } else {
-        PORECHOP ( reads )
-        ch_clipped_reads = PORECHOP.out.reads
+        PORECHOP_PORECHOP ( reads )
+        ch_clipped_reads = PORECHOP_PORECHOP.out.reads
                                         .map {
                                                 meta, reads ->
                                                 def meta_new = meta.clone()
@@ -48,9 +48,9 @@ workflow LONGREAD_PREPROCESSING {
 
         ch_processed_reads = FILTLONG ( ch_clipped_reads.map{ meta, reads -> [meta, [], reads ]} ).reads
 
-        ch_versions = ch_versions.mix(PORECHOP.out.versions.first())
+        ch_versions = ch_versions.mix(PORECHOP_PORECHOP.out.versions.first())
         ch_versions = ch_versions.mix(FILTLONG.out.versions.first())
-        ch_multiqc_files = ch_multiqc_files.mix( PORECHOP.out.log )
+        ch_multiqc_files = ch_multiqc_files.mix( PORECHOP_PORECHOP.out.log )
         ch_multiqc_files = ch_multiqc_files.mix( FILTLONG.out.log )
     }
 

From e4307ad8abfa123d749cd70ce37cff486e804590 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Tue, 1 Nov 2022 20:50:42 +0100
Subject: [PATCH 442/789] Change modules.config to include porechop_porechop

---
 conf/modules.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/conf/modules.config b/conf/modules.config
index 397e0c2..dad18a2 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -134,7 +134,7 @@ process {
         ]
     }
 
-    withName: PORECHOP {
+    withName: PORECHOP_PORECHOP {
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [
             path: { "${params.outdir}/porechop" },

From d487a1ff2fac2e0a4bf9b3aecc41792000256b6f Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 2 Nov 2022 12:39:34 +0100
Subject: [PATCH 443/789] Addd FASTP adadapter list

---
 conf/modules.config                           |  6 +++---
 modules.json                                  |  2 +-
 modules/nf-core/fastp/main.nf                 |  5 +++++
 modules/nf-core/fastp/meta.yml                |  4 ++++
 nextflow_schema.json                          |  4 ++--
 subworkflows/local/shortread_fastp.nf         |  5 +++--
 subworkflows/local/shortread_preprocessing.nf |  2 +-
 workflows/taxprofiler.nf                      | 11 +++++++----
 8 files changed, 26 insertions(+), 13 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 9a351cc..f47e587 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -62,7 +62,7 @@ process {
         ext.args   = [
             // trimming options
             params.shortread_qc_skipadaptertrim ? "--disable_adapter_trimming" : "",
-            params.shortread_qc_adapter1 ? "--adapter_sequence ${params.shortread_qc_adapter1}" : "",
+            params.shortread_qc_adapterlist ? "" : params.shortread_qc_adapter1 ? "--adapter_sequence ${params.shortread_qc_adapter1}" : "",
             // filtering options
             "--length_required ${params.shortread_qc_minlength}",
             (params.perform_shortread_complexityfilter && params.shortread_complexityfilter_tool == 'fastp') ? "--low_complexity_filter --complexity_threshold ${params.shortread_complexityfilter_fastp_threshold}" : ''
@@ -82,8 +82,8 @@ process {
             params.shortread_qc_excludeunmerged ? '' : "--include_unmerged",
             // trimming options
             params.shortread_qc_skipadaptertrim ? "--disable_adapter_trimming" : "",
-            params.shortread_qc_adapter1 ? "--adapter_sequence ${params.shortread_qc_adapter1}" : "",
-            params.shortread_qc_adapter2 ? "--adapter_sequence_r2 ${params.shortread_qc_adapter2}" : "--detect_adapter_for_pe",
+            params.shortread_qc_adapterlist ? "" : params.shortread_qc_adapter1 ? "--adapter_sequence ${params.shortread_qc_adapter1}" : "",
+            params.shortread_qc_adapterlist ? "" : params.shortread_qc_adapter2 ? "--adapter_sequence_r2 ${params.shortread_qc_adapter2}" : "--detect_adapter_for_pe",
             // filtering options
             "--length_required ${params.shortread_qc_minlength}",
             params.perform_shortread_complexityfilter && params.shortread_complexityfilter_tool == 'fastp' ? "--low_complexity_filter --complexity_threshold ${params.shortread_complexityfilter_fastp_threshold}" : ''
diff --git a/modules.json b/modules.json
index ab32eec..3527a44 100644
--- a/modules.json
+++ b/modules.json
@@ -55,7 +55,7 @@
                     },
                     "fastp": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "1e49f31e93c56a3832833eef90a02d3cde5a3f7e"
                     },
                     "fastqc": {
                         "branch": "master",
diff --git a/modules/nf-core/fastp/main.nf b/modules/nf-core/fastp/main.nf
index 11ea4db..207258a 100644
--- a/modules/nf-core/fastp/main.nf
+++ b/modules/nf-core/fastp/main.nf
@@ -9,6 +9,7 @@ process FASTP {
 
     input:
     tuple val(meta), path(reads)
+    path  adapter_fasta
     val   save_trimmed_fail
     val   save_merged
 
@@ -27,6 +28,7 @@ process FASTP {
     script:
     def args = task.ext.args ?: ''
     def prefix = task.ext.prefix ?: "${meta.id}"
+    def adapter_list = adapter_fasta ? "--adapter_fasta ${adapter_fasta}" : ""
     def fail_fastq = save_trimmed_fail && meta.single_end ? "--failed_out ${prefix}.fail.fastq.gz" : save_trimmed_fail && !meta.single_end ? "--unpaired1 ${prefix}_1.fail.fastq.gz --unpaired2 ${prefix}_2.fail.fastq.gz" : ''
     // Added soft-links to original fastqs for consistent naming in MultiQC
     // Use single ended for interleaved. Add --interleaved_in in config.
@@ -40,6 +42,7 @@ process FASTP {
             --thread $task.cpus \\
             --json ${prefix}.fastp.json \\
             --html ${prefix}.fastp.html \\
+            $adapter_list \\
             $fail_fastq \\
             $args \\
             2> ${prefix}.fastp.log \\
@@ -61,6 +64,7 @@ process FASTP {
             --thread $task.cpus \\
             --json ${prefix}.fastp.json \\
             --html ${prefix}.fastp.html \\
+            $adapter_list \\
             $fail_fastq \\
             $args \\
             2> ${prefix}.fastp.log
@@ -82,6 +86,7 @@ process FASTP {
             --out2 ${prefix}_2.fastp.fastq.gz \\
             --json ${prefix}.fastp.json \\
             --html ${prefix}.fastp.html \\
+            $adapter_list \\
             $fail_fastq \\
             $merge_fastq \\
             --thread $task.cpus \\
diff --git a/modules/nf-core/fastp/meta.yml b/modules/nf-core/fastp/meta.yml
index 2368fde..6f6fad7 100644
--- a/modules/nf-core/fastp/meta.yml
+++ b/modules/nf-core/fastp/meta.yml
@@ -23,6 +23,10 @@ input:
         List of input FastQ files of size 1 and 2 for single-end and paired-end data,
         respectively. If you wish to run interleaved paired-end data,  supply as single-end data
         but with `--interleaved_in` in your `modules.conf`'s `ext.args` for the module.
+  - adapter_fasta:
+      type: file
+      description: File in FASTA format containing possible adapters to remove.
+      pattern: "*.{fasta,fna,fas,fa}"
   - save_trimmed_fail:
       type: boolean
       description: Specify true to save files that failed to pass trimming thresholds ending in `*.fail.fastq.gz`
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 04ba938..b96fdac 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -107,8 +107,8 @@
                 "shortread_qc_adapterlist": {
                     "type": "string",
                     "default": "None",
-                    "fa_icon": "fas fa-list-ul",
-                    "help_text": "This affects AdapterRemoval. It will replace default adapters or whatever is supplied in `--shortread_qc_adapter{1,2}`.\n\nThis allows you to mix libraries built with different adapters into one run.\n\n> Modifies tool parameter(s):\n> - AdapterRemoval: `--adapter-list`."
+                    "description": "Specify a list of all possible adapters to trim. Overrides --shortread_qc_adapter1/2. Formats: .txt (AdapterRemoval) or .fasta. (fastp).",
+                    "help_text": "Allows to supply a file with a list of adapter (combinations) to remove from all files. \n\nOverrides the --shortread_qc_adapter1/--shortread_qc_adapter2 parameters . \n\nFor AdapterRemoval this consists of a two column table with a `.txt` extension: first column represents forward strand, second column for reverse strand. You must supply all possibly combinations, one per line, and this list is applied to all files. See AdapterRemoval documentation for more information.\n\nFor fastp this consists of a standard FASTA format with a `.fasta`/`.fa`/`.fna`/`.fas` extension. The adapter sequence in this file should be at least 6bp long, otherwise it will be skipped. fastp trims the adapters present in the FASTA file one by one.\n\n> Modifies AdapterRemoval parameter: --adapter-list\n> Modifies fastp parameter: --adapter_fasta"
                 },
                 "shortread_qc_mergepairs": {
                     "type": "boolean",
diff --git a/subworkflows/local/shortread_fastp.nf b/subworkflows/local/shortread_fastp.nf
index d466041..cac5a27 100644
--- a/subworkflows/local/shortread_fastp.nf
+++ b/subworkflows/local/shortread_fastp.nf
@@ -8,6 +8,7 @@ include { FASTP as FASTP_PAIRED       } from '../../modules/nf-core/fastp/main'
 workflow SHORTREAD_FASTP {
     take:
     reads // [[meta], [reads]]
+    adapterlist
 
     main:
     ch_versions           = Channel.empty()
@@ -19,9 +20,9 @@ workflow SHORTREAD_FASTP {
                                 paired: it[0]['single_end'] == false
                             }
 
-    FASTP_SINGLE ( ch_input_for_fastp.single, false, false )
+    FASTP_SINGLE ( ch_input_for_fastp.single, adapterlist, false, false )
     // Last parameter here turns on merging of PE data
-    FASTP_PAIRED ( ch_input_for_fastp.paired, false, params.shortread_qc_mergepairs )
+    FASTP_PAIRED ( ch_input_for_fastp.paired, adapterlist, false, params.shortread_qc_mergepairs )
 
     if ( params.shortread_qc_mergepairs ) {
         ch_fastp_reads_prepped_pe = FASTP_PAIRED.out.reads_merged
diff --git a/subworkflows/local/shortread_preprocessing.nf b/subworkflows/local/shortread_preprocessing.nf
index d381d34..c823e3d 100644
--- a/subworkflows/local/shortread_preprocessing.nf
+++ b/subworkflows/local/shortread_preprocessing.nf
@@ -18,7 +18,7 @@ workflow SHORTREAD_PREPROCESSING {
     ch_multiqc_files  = Channel.empty()
 
     if ( params.shortread_qc_tool == "fastp" ) {
-        ch_processed_reads = SHORTREAD_FASTP ( reads ).reads
+        ch_processed_reads = SHORTREAD_FASTP ( reads, adapterlist ).reads
         ch_versions        =  ch_versions.mix( SHORTREAD_FASTP.out.versions )
         ch_multiqc_files   =  ch_multiqc_files.mix( SHORTREAD_FASTP.out.mqc )
     } else if ( params.shortread_qc_tool == "adapterremoval" ) {
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index e6ccc16..bf05d54 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -103,7 +103,12 @@ workflow TAXPROFILER {
 
     ch_versions = Channel.empty()
     ch_multiqc_logo= Channel.fromPath("$projectDir/docs/images/nf-core-taxprofiler_logo_custom_light.png")
-    ch_adapterlist_for_shortreadqc = params.shortread_qc_adapterlist ? file(params.shortread_qc_adapterlist) : []
+    adapterlist = params.shortread_qc_adapterlist ? file(params.shortread_qc_adapterlist) : []
+
+    if ( params.shortread_qc_adapterlist ) {
+        if ( params.shortread_qc_tool == 'adapterremoval' && !(adapterlist.extension == 'txt') ) error "[nf-core/taxprofiler] ERROR: AdapterRemoval2 adapter list requires a `.txt` format and extension. Check input: --shortread_qc_adapterlist ${params.shortread_qc_adapterlist}"
+        if ( params.shortread_qc_tool == 'fastp' && !adapterlist.extension.matches(".*(fa|fasta|fna|fas)") ) error "[nf-core/taxprofiler] ERROR: fastp adapter list requires a `.fasta` format and extension (or fa, fas, fna). Check input: --shortread_qc_adapterlist ${params.shortread_qc_adapterlist}"
+    }
 
     /*
         SUBWORKFLOW: Read in samplesheet, validate and stage input files
@@ -134,10 +139,8 @@ workflow TAXPROFILER {
         SUBWORKFLOW: PERFORM PREPROCESSING
     */
 
-    ch_adapterlist_for_shortreadqc
-
     if ( params.perform_shortread_qc ) {
-        ch_shortreads_preprocessed = SHORTREAD_PREPROCESSING ( INPUT_CHECK.out.fastq, ch_adapterlist_for_shortreadqc ).reads
+        ch_shortreads_preprocessed = SHORTREAD_PREPROCESSING ( INPUT_CHECK.out.fastq, adapterlist ).reads
         ch_versions = ch_versions.mix( SHORTREAD_PREPROCESSING.out.versions )
     } else {
         ch_shortreads_preprocessed = INPUT_CHECK.out.fastq

From 24dc2a2cecc77b5a5beb0a16042814374f985df5 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Thu, 3 Nov 2022 10:03:07 +0100
Subject: [PATCH 444/789] Apply suggestions from code review

Co-authored-by: Moritz E. Beber <midnighter@posteo.net>
---
 nextflow_schema.json | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index b96fdac..7c7e8dc 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -108,7 +108,7 @@
                     "type": "string",
                     "default": "None",
                     "description": "Specify a list of all possible adapters to trim. Overrides --shortread_qc_adapter1/2. Formats: .txt (AdapterRemoval) or .fasta. (fastp).",
-                    "help_text": "Allows to supply a file with a list of adapter (combinations) to remove from all files. \n\nOverrides the --shortread_qc_adapter1/--shortread_qc_adapter2 parameters . \n\nFor AdapterRemoval this consists of a two column table with a `.txt` extension: first column represents forward strand, second column for reverse strand. You must supply all possibly combinations, one per line, and this list is applied to all files. See AdapterRemoval documentation for more information.\n\nFor fastp this consists of a standard FASTA format with a `.fasta`/`.fa`/`.fna`/`.fas` extension. The adapter sequence in this file should be at least 6bp long, otherwise it will be skipped. fastp trims the adapters present in the FASTA file one by one.\n\n> Modifies AdapterRemoval parameter: --adapter-list\n> Modifies fastp parameter: --adapter_fasta"
+                    "help_text": "Allows to supply a file with a list of adapter (combinations) to remove from all files. \n\nOverrides the --shortread_qc_adapter1/--shortread_qc_adapter2 parameters . \n\nFor AdapterRemoval this consists of a two column table with a `.txt` extension: first column represents forward strand, second column for reverse strand. You must supply all possible combinations, one per line, and this list is applied to all files. See AdapterRemoval documentation for more information.\n\nFor fastp this consists of a standard FASTA format with a `.fasta`/`.fa`/`.fna`/`.fas` extension. The adapter sequence in this file should be at least 6bp long, otherwise it will be skipped. fastp trims the adapters present in the FASTA file one by one.\n\n> Modifies AdapterRemoval parameter: --adapter-list\n> Modifies fastp parameter: --adapter_fasta"
                 },
                 "shortread_qc_mergepairs": {
                     "type": "boolean",

From 62f45c8be7b1f592843cb2a4ca0c214e51beaf81 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Thu, 3 Nov 2022 10:03:27 +0100
Subject: [PATCH 445/789] Update nextflow.config

---
 nextflow.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/nextflow.config b/nextflow.config
index 9bf7f83..d11abd9 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -69,7 +69,7 @@ params {
     shortread_qc_excludeunmerged     = false
     shortread_qc_adapter1            = null
     shortread_qc_adapter2            = null
-    shortread_qc_adapterlist         = null // TODO Add for FASTP
+    shortread_qc_adapterlist         = null
     shortread_qc_minlength           = 15
 
     perform_longread_qc                   = false

From 6459d8920fd53a8c03680f7b4b32bf9943f00123 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 3 Nov 2022 14:05:43 +0100
Subject: [PATCH 446/789] Linting!

---
 docs/usage.md        | 12 ++----------
 nextflow_schema.json |  6 +++---
 2 files changed, 5 insertions(+), 13 deletions(-)

diff --git a/docs/usage.md b/docs/usage.md
index 11e077f..a87102c 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -131,14 +131,6 @@ Expected (uncompressed) database files for each tool are as follows:
   - `hash.k2d`
   - `taxo.k2d`
   - `database.idx`
-  - `database.kdb.counts`
-  - `database50mers.kmer_distrib`
-  - `database75mers.kmer_distrib`
-  - `database100mers.kmer_distrib`
-  - `database150mers.kmer_distrib`
-  - `database200mers.kmer_distrib`
-  - `database300mers.kmer_distrib`
-  - `seqid2taxid.map`
   - `taxDB`
 - **Centrifuge** output of `centrifuge-build`. A directory containing:
   - `<database_name>.<number>.cf`
@@ -192,7 +184,7 @@ work                # Directory containing the nextflow working files
 
 ### Sequencing quality control
 
-nf-core taxprofiler offers [`falco`](https://github.com/smithlabcode/falco] as an alternative option to [`FastQC`](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/).
+nf-core taxprofiler offers [`falco`][https://github.com/smithlabcode/falco] as an alternative option to [`FastQC`](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/).
 
 ### Preprocessing Steps
 
@@ -457,7 +449,7 @@ NXF_OPTS='-Xms1g -Xmx4g'
 
 ## Troubleshooting and FAQs
 
-### I get a warning during centrifuge_kreport process with exit status 255.
+### I get a warning during centrifuge_kreport process with exit status 255
 
 When a sample has insufficient hits for abundance estimation, the resulting `report.txt` file will be empty.
 
diff --git a/nextflow_schema.json b/nextflow_schema.json
index c7f4825..7f52764 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -418,18 +418,18 @@
                     "help_text": "Turn on saving minimizer information in the kraken2 report thus increasing to an eight column layout.\n\nAdds `--report-minimizer-data` to the kraken2 command."
                 },
                 "run_krakenuniq": {
-                    "type": "string",
+                    "type": "boolean",
                     "fa_icon": "fas fa-toggle-on",
                     "description": "Turn on profiling with KrakenUniq. Requires database to be present CSV file passed to --databases"
                 },
                 "krakenuniq_save_reads": {
-                    "type": "string",
+                    "type": "boolean",
                     "fa_icon": "fas fa-save",
                     "description": "Turn on saving of KrakenUniq-aligned reads",
                     "help_text": "Save reads that do and do not have a taxonomic classification in your output results directory in FASTQ format.\n\n> Modifies tool parameter(s):\n> - krakenuniq: `--classified-out` and `--unclassified-out`"
                 },
                 "krakenuniq_save_readclassifications": {
-                    "type": "string",
+                    "type": "boolean",
                     "fa_icon": "fas fa-save",
                     "description": "Turn on saving of KrakenUniq per-read taxonomic assignment file",
                     "help_text": "Save a text file that contains a list of each read that had a taxonomic assignment, with information on specific taxonomic taxonomic assignment that that read recieved.\n\n> Modifies tool parameter(s):\n> - krakenuniq: `--output`"

From b5e6639f9d01d2a56ac0e72715eb617b36c57812 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Thu, 3 Nov 2022 14:12:05 +0100
Subject: [PATCH 447/789] Apply review suggestions

---
 conf/modules.config | 1 -
 1 file changed, 1 deletion(-)

diff --git a/conf/modules.config b/conf/modules.config
index 397e0c2..96bb658 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -238,7 +238,6 @@ process {
         publishDir = [
             path: { "${params.outdir}/samtools/stats" },
             mode: params.publish_dir_mode,
-            enabled: params.save_hostremoval_unmapped,
             pattern: '*stats'
         ]
     }

From 0c445759e4a23f7f2d6e0fc172e0a9c075b742fe Mon Sep 17 00:00:00 2001
From: nf-core-bot <core@nf-co.re>
Date: Thu, 3 Nov 2022 13:42:39 +0000
Subject: [PATCH 448/789] [automated] Fix linting with Prettier

---
 nextflow_schema.json | 55 +++++++-------------------------------------
 1 file changed, 8 insertions(+), 47 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 7f52764..bb22fac 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,11 +10,7 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": [
-                "input",
-                "databases",
-                "outdir"
-            ],
+            "required": ["input", "databases", "outdir"],
             "properties": {
                 "input": {
                     "type": "string",
@@ -84,10 +80,7 @@
                 "shortread_qc_tool": {
                     "type": "string",
                     "default": "fastp",
-                    "enum": [
-                        "fastp",
-                        "adapterremoval"
-                    ],
+                    "enum": ["fastp", "adapterremoval"],
                     "fa_icon": "fas fa-tools",
                     "description": "Specify which tool to use for short-read QC"
                 },
@@ -140,11 +133,7 @@
                 "shortread_complexityfilter_tool": {
                     "type": "string",
                     "default": "bbduk",
-                    "enum": [
-                        "bbduk",
-                        "prinseqplusplus",
-                        "fastp"
-                    ],
+                    "enum": ["bbduk", "prinseqplusplus", "fastp"],
                     "fa_icon": "fas fa-hammer",
                     "description": "Specify which tool to use for complexity filtering"
                 },
@@ -178,10 +167,7 @@
                 "shortread_complexityfilter_prinseqplusplus_mode": {
                     "type": "string",
                     "default": "entropy",
-                    "enum": [
-                        "entropy",
-                        "dust"
-                    ],
+                    "enum": ["entropy", "dust"],
                     "fa_icon": "fas fa-check-square",
                     "description": "Specify the complexity filter mode for PRINSEQ++"
                 },
@@ -355,15 +341,7 @@
                 "diamond_output_format": {
                     "type": "string",
                     "default": "tsv",
-                    "enum": [
-                        "blast",
-                        "xml",
-                        "txt",
-                        "daa",
-                        "sam",
-                        "tsv",
-                        "paf"
-                    ],
+                    "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"],
                     "fa_icon": "fas fa-file",
                     "description": "Specify output format from DIAMOND profiling.",
                     "help_text": "DIAMOND can produce output in a number of different formats, you can specify here which to produce.\n\nNote that DIAMOND can only produce one format at a time, and depending on which you pick, some downstream steps may not be executed. For example, selecting `daa` or `sam` will mean you will not get a tabular taxonomic profile as with the other tools.\n\nWill be overriden by `--diamond_save_reads.`\n\n> Modifies tool parameter(s):\n> - diamond blastx: `--outfmt`"
@@ -382,14 +360,7 @@
                 "kaiju_taxon_rank": {
                     "type": "string",
                     "default": "species",
-                    "enum": [
-                        "phylum",
-                        "class",
-                        "order",
-                        "family",
-                        "genus",
-                        "species"
-                    ],
+                    "enum": ["phylum", "class", "order", "family", "genus", "species"],
                     "fa_icon": "fas fa-tag",
                     "description": "Specify taxonomic rank to be displayed in Kaiju taxon table",
                     "help_text": "Specify the taxonomic level(s) to be displayed in the resulting Kaiju taxon table, as generated by the kaiju2table helper tool.\n\nThis can be either a single level (e.g. `species`), or a comma separated list to display the full taxonomic path (e.g. `superkingdom,phylum,class,order,family,genus,species.`).\n\n> Modifies tool parameter(s):\n> - kaiju2table: `-l`"
@@ -612,14 +583,7 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": [
-                        "symlink",
-                        "rellink",
-                        "link",
-                        "copy",
-                        "copyNoFollow",
-                        "move"
-                    ],
+                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -776,10 +740,7 @@
         "preprocessing_qc_tool": {
             "type": "string",
             "default": "fastqc",
-            "enum": [
-                "fastqc",
-                "falco"
-            ],
+            "enum": ["fastqc", "falco"],
             "help_text": "Falco is designed as a drop-in replacement for FastQC but written in C++ for faster computation. We particularly recommend using falco when using long reads (due to reduced memory constraints), however is also applicable for short reads.",
             "description": "Specify the tool used for quality control of raw sequencing reads"
         }

From 21a76c244943fb96dbe863c2f08b58335d0b00de Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 3 Nov 2022 14:56:26 +0100
Subject: [PATCH 449/789] Fix cardinality issue

---
 nextflow.config                 |  1 +
 nextflow_schema.json            | 62 ++++++++-------------------------
 subworkflows/local/profiling.nf |  4 +--
 3 files changed, 18 insertions(+), 49 deletions(-)

diff --git a/nextflow.config b/nextflow.config
index 6223db0..262aa2d 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -120,6 +120,7 @@ params {
 
     //krakenuniq
     run_krakenuniq                      = false
+    krakenuniq_ram_run_size             = '16G'
     krakenuniq_save_reads               = false // added directly to module in profiling.nf
     krakenuniq_save_readclassifications = false // added directly to module in profiling.nf
 
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 7f52764..c40a0de 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,11 +10,7 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": [
-                "input",
-                "databases",
-                "outdir"
-            ],
+            "required": ["input", "databases", "outdir"],
             "properties": {
                 "input": {
                     "type": "string",
@@ -84,10 +80,7 @@
                 "shortread_qc_tool": {
                     "type": "string",
                     "default": "fastp",
-                    "enum": [
-                        "fastp",
-                        "adapterremoval"
-                    ],
+                    "enum": ["fastp", "adapterremoval"],
                     "fa_icon": "fas fa-tools",
                     "description": "Specify which tool to use for short-read QC"
                 },
@@ -140,11 +133,7 @@
                 "shortread_complexityfilter_tool": {
                     "type": "string",
                     "default": "bbduk",
-                    "enum": [
-                        "bbduk",
-                        "prinseqplusplus",
-                        "fastp"
-                    ],
+                    "enum": ["bbduk", "prinseqplusplus", "fastp"],
                     "fa_icon": "fas fa-hammer",
                     "description": "Specify which tool to use for complexity filtering"
                 },
@@ -178,10 +167,7 @@
                 "shortread_complexityfilter_prinseqplusplus_mode": {
                     "type": "string",
                     "default": "entropy",
-                    "enum": [
-                        "entropy",
-                        "dust"
-                    ],
+                    "enum": ["entropy", "dust"],
                     "fa_icon": "fas fa-check-square",
                     "description": "Specify the complexity filter mode for PRINSEQ++"
                 },
@@ -355,15 +341,7 @@
                 "diamond_output_format": {
                     "type": "string",
                     "default": "tsv",
-                    "enum": [
-                        "blast",
-                        "xml",
-                        "txt",
-                        "daa",
-                        "sam",
-                        "tsv",
-                        "paf"
-                    ],
+                    "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"],
                     "fa_icon": "fas fa-file",
                     "description": "Specify output format from DIAMOND profiling.",
                     "help_text": "DIAMOND can produce output in a number of different formats, you can specify here which to produce.\n\nNote that DIAMOND can only produce one format at a time, and depending on which you pick, some downstream steps may not be executed. For example, selecting `daa` or `sam` will mean you will not get a tabular taxonomic profile as with the other tools.\n\nWill be overriden by `--diamond_save_reads.`\n\n> Modifies tool parameter(s):\n> - diamond blastx: `--outfmt`"
@@ -382,14 +360,7 @@
                 "kaiju_taxon_rank": {
                     "type": "string",
                     "default": "species",
-                    "enum": [
-                        "phylum",
-                        "class",
-                        "order",
-                        "family",
-                        "genus",
-                        "species"
-                    ],
+                    "enum": ["phylum", "class", "order", "family", "genus", "species"],
                     "fa_icon": "fas fa-tag",
                     "description": "Specify taxonomic rank to be displayed in Kaiju taxon table",
                     "help_text": "Specify the taxonomic level(s) to be displayed in the resulting Kaiju taxon table, as generated by the kaiju2table helper tool.\n\nThis can be either a single level (e.g. `species`), or a comma separated list to display the full taxonomic path (e.g. `superkingdom,phylum,class,order,family,genus,species.`).\n\n> Modifies tool parameter(s):\n> - kaiju2table: `-l`"
@@ -428,6 +399,13 @@
                     "description": "Turn on saving of KrakenUniq-aligned reads",
                     "help_text": "Save reads that do and do not have a taxonomic classification in your output results directory in FASTQ format.\n\n> Modifies tool parameter(s):\n> - krakenuniq: `--classified-out` and `--unclassified-out`"
                 },
+                "krakenuniq_ram_run_size": {
+                    "type": "string",
+                    "default": "16G",
+                    "description": "Specify how large to chunk database when loading into memory for KrakenUniq",
+                    "fa_icon": "fas fa-database",
+                    "help_text": "nf-core/taxprofiler utilises a 'low memory' option for KrakenUniq that can reduce the amount of RAM the process requires using the `--preloaded` option.\n\nA further extension to this option is that you can specify how large each chunk of the database should be that gets loaded into memory at any one time. You can specify the amount of RAM to chunk the database to with this parameter, and is particularly useful for people with limited computational resources.\n\nMore information about this parameter can be seen [here](https://github.com/fbreitwieser/krakenuniq/blob/master/README.md#new-release-v07).\n\n> Modifies KrakenUniq parameter: --preload\n\n> \n\n"
+                },
                 "krakenuniq_save_readclassifications": {
                     "type": "boolean",
                     "fa_icon": "fas fa-save",
@@ -612,14 +590,7 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": [
-                        "symlink",
-                        "rellink",
-                        "link",
-                        "copy",
-                        "copyNoFollow",
-                        "move"
-                    ],
+                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -776,10 +747,7 @@
         "preprocessing_qc_tool": {
             "type": "string",
             "default": "fastqc",
-            "enum": [
-                "fastqc",
-                "falco"
-            ],
+            "enum": ["fastqc", "falco"],
             "help_text": "Falco is designed as a drop-in replacement for FastQC but written in C++ for faster computation. We particularly recommend using falco when using long reads (due to reduced memory constraints), however is also applicable for short reads.",
             "description": "Specify the tool used for quality control of raw sequencing reads"
         }
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 73e0b73..849583e 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -274,8 +274,8 @@ workflow PROFILING {
                                             reads: [ it[0] + it[2], it[1] ]
                                             db: it[3]
                                 }
-
-        KRAKENUNIQ_PRELOADEDKRAKENUNIQ ( ch_input_for_krakenuniq.reads, ch_input_for_krakenuniq.db, params.krakenuniq_save_reads, params.krakenuniq_save_readclassification )
+        // Hardcode to _always_ produce the report file (which is our basic otput, and goes into raw_profiles)
+        KRAKENUNIQ_PRELOADEDKRAKENUNIQ ( ch_input_for_krakenuniq.reads, ch_input_for_krakenuniq.db, params.krakenuniq_ram_chunk_size, params.krakenuniq_save_reads, true, params.krakenuniq_save_readclassification )
         ch_multiqc_files       = ch_multiqc_files.mix( KRAKENUNIQ_PRELOADEDKRAKENUNIQ.out.report )
         ch_versions            = ch_versions.mix( KRAKENUNIQ_PRELOADEDKRAKENUNIQ.out.versions.first() )
         ch_raw_classifications = ch_raw_classifications.mix( KRAKENUNIQ_PRELOADEDKRAKENUNIQ.out.classified_assignment )

From c5e5696f84ca580a0a8c070f50223375d68d6386 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 3 Nov 2022 14:58:03 +0100
Subject: [PATCH 450/789] Fix parameter name

---
 nextflow.config      | 2 +-
 nextflow_schema.json | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/nextflow.config b/nextflow.config
index 262aa2d..ce48db9 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -120,7 +120,7 @@ params {
 
     //krakenuniq
     run_krakenuniq                      = false
-    krakenuniq_ram_run_size             = '16G'
+    krakenuniq_ram_chunk_size           = '16G'
     krakenuniq_save_reads               = false // added directly to module in profiling.nf
     krakenuniq_save_readclassifications = false // added directly to module in profiling.nf
 
diff --git a/nextflow_schema.json b/nextflow_schema.json
index c40a0de..69bd4f0 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -399,7 +399,7 @@
                     "description": "Turn on saving of KrakenUniq-aligned reads",
                     "help_text": "Save reads that do and do not have a taxonomic classification in your output results directory in FASTQ format.\n\n> Modifies tool parameter(s):\n> - krakenuniq: `--classified-out` and `--unclassified-out`"
                 },
-                "krakenuniq_ram_run_size": {
+                "krakenuniq_ram_chunk_size": {
                     "type": "string",
                     "default": "16G",
                     "description": "Specify how large to chunk database when loading into memory for KrakenUniq",

From 93f38b14a83dc98e4438724b7a5d8ed2bcf7e944 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 3 Nov 2022 15:01:00 +0100
Subject: [PATCH 451/789] Save report

---
 subworkflows/local/profiling.nf | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 849583e..6930373 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -275,7 +275,8 @@ workflow PROFILING {
                                             db: it[3]
                                 }
         // Hardcode to _always_ produce the report file (which is our basic otput, and goes into raw_profiles)
-        KRAKENUNIQ_PRELOADEDKRAKENUNIQ ( ch_input_for_krakenuniq.reads, ch_input_for_krakenuniq.db, params.krakenuniq_ram_chunk_size, params.krakenuniq_save_reads, true, params.krakenuniq_save_readclassification )
+        save_report = true
+        KRAKENUNIQ_PRELOADEDKRAKENUNIQ ( ch_input_for_krakenuniq.reads, ch_input_for_krakenuniq.db, params.krakenuniq_ram_chunk_size, params.krakenuniq_save_reads, save_report, params.krakenuniq_save_readclassification )
         ch_multiqc_files       = ch_multiqc_files.mix( KRAKENUNIQ_PRELOADEDKRAKENUNIQ.out.report )
         ch_versions            = ch_versions.mix( KRAKENUNIQ_PRELOADEDKRAKENUNIQ.out.versions.first() )
         ch_raw_classifications = ch_raw_classifications.mix( KRAKENUNIQ_PRELOADEDKRAKENUNIQ.out.classified_assignment )

From 461482d22a2aa36e6f82f1b2ccc4c2eb12166c34 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 3 Nov 2022 15:02:22 +0100
Subject: [PATCH 452/789] Try again wit hthe corret param

---
 subworkflows/local/profiling.nf | 5 ++---
 1 file changed, 2 insertions(+), 3 deletions(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 6930373..2cdf1d1 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -274,9 +274,8 @@ workflow PROFILING {
                                             reads: [ it[0] + it[2], it[1] ]
                                             db: it[3]
                                 }
-        // Hardcode to _always_ produce the report file (which is our basic otput, and goes into raw_profiles)
-        save_report = true
-        KRAKENUNIQ_PRELOADEDKRAKENUNIQ ( ch_input_for_krakenuniq.reads, ch_input_for_krakenuniq.db, params.krakenuniq_ram_chunk_size, params.krakenuniq_save_reads, save_report, params.krakenuniq_save_readclassification )
+        // Hardcode to _always_ produce the report file (which is our basic otput, and goes into)
+        KRAKENUNIQ_PRELOADEDKRAKENUNIQ ( ch_input_for_krakenuniq.reads, ch_input_for_krakenuniq.db, params.krakenuniq_ram_chunk_size, params.krakenuniq_save_reads, true, params.krakenuniq_save_readclassifications )
         ch_multiqc_files       = ch_multiqc_files.mix( KRAKENUNIQ_PRELOADEDKRAKENUNIQ.out.report )
         ch_versions            = ch_versions.mix( KRAKENUNIQ_PRELOADEDKRAKENUNIQ.out.versions.first() )
         ch_raw_classifications = ch_raw_classifications.mix( KRAKENUNIQ_PRELOADEDKRAKENUNIQ.out.classified_assignment )

From 79dd3930bb0b714c99da55cb1c320c05295518f1 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Thu, 3 Nov 2022 16:52:01 +0100
Subject: [PATCH 453/789] Add samtools to README

---
 README.md | 11 ++++++-----
 1 file changed, 6 insertions(+), 5 deletions(-)

diff --git a/README.md b/README.md
index 3f0a840..94ede1e 100644
--- a/README.md
+++ b/README.md
@@ -34,9 +34,10 @@ On release, automated continuous integration tests run the pipeline on a full-si
 2. Performs optional read pre-processing
    - Adapter clipping and merging (short-read: [fastp](https://github.com/OpenGene/fastp), [AdapterRemoval2](https://github.com/MikkelSchubert/adapterremoval); long-read: [porechop](https://github.com/rrwick/Porechop))
    - Low complexity and quality filtering (short-read: [bbduk](https://jgi.doe.gov/data-and-tools/software-tools/bbtools/), [PRINSEQ++](https://github.com/Adrian-Cantu/PRINSEQ-plus-plus); long-read: [Filtlong](https://github.com/rrwick/Filtlong))
-   - Host read removal (short-read: [BowTie2](http://bowtie-bio.sourceforge.net/bowtie2/); long-read: [Minimap2](https://github.com/lh3/minimap2))
+   - Host-read removal (short-read: [BowTie2](http://bowtie-bio.sourceforge.net/bowtie2/); long-read: [Minimap2](https://github.com/lh3/minimap2))
    - Run merging
-3. Performs taxonomic profiling using one or more of:
+3. Supports statistics for host-read removal ([Samtools](http://www.htslib.org/))
+4. Performs taxonomic profiling using one or more of:
    - [Kraken2](https://ccb.jhu.edu/software/kraken2/)
    - [MetaPhlAn3](https://huttenhower.sph.harvard.edu/metaphlan/)
    - [MALT](https://uni-tuebingen.de/fakultaeten/mathematisch-naturwissenschaftliche-fakultaet/fachbereiche/informatik/lehrstuehle/algorithms-in-bioinformatics/software/malt/)
@@ -45,10 +46,10 @@ On release, automated continuous integration tests run the pipeline on a full-si
    - [Kaiju](https://kaiju.binf.ku.dk/)
    - [mOTUs](https://motu-tool.org/)
    - [KrakenUniq](https://github.com/fbreitwieser/krakenuniq)
-4. Perform optional post-processing with:
+5. Perform optional post-processing with:
    - [bracken](https://ccb.jhu.edu/software/bracken/)
-5. Standardises output tables
-6. Present QC for raw reads ([`MultiQC`](http://multiqc.info/))
+6. Standardises output tables
+7. Present QC for raw reads ([`MultiQC`](http://multiqc.info/))
 7. Plotting Kraken2, Centrifuge, Kaiju and MALT results ([`Krona`](https://hpc.nih.gov/apps/kronatools.html))
 
 ## Quick Start

From 696edfb866a1d196241ea819e7207edd8cd067e8 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Fri, 4 Nov 2022 12:05:23 +0100
Subject: [PATCH 454/789] Apply prettier

---
 README.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/README.md b/README.md
index 94ede1e..5a8884e 100644
--- a/README.md
+++ b/README.md
@@ -50,7 +50,7 @@ On release, automated continuous integration tests run the pipeline on a full-si
    - [bracken](https://ccb.jhu.edu/software/bracken/)
 6. Standardises output tables
 7. Present QC for raw reads ([`MultiQC`](http://multiqc.info/))
-7. Plotting Kraken2, Centrifuge, Kaiju and MALT results ([`Krona`](https://hpc.nih.gov/apps/kronatools.html))
+8. Plotting Kraken2, Centrifuge, Kaiju and MALT results ([`Krona`](https://hpc.nih.gov/apps/kronatools.html))
 
 ## Quick Start
 

From 4275640d9bfa60b82aa7625c7241672fc7e199ad Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 4 Nov 2022 15:24:15 +0100
Subject: [PATCH 455/789] update tubemap to include samtools stats

---
 docs/images/taxprofiler_tube.pdf | Bin 166185 -> 61523 bytes
 docs/images/taxprofiler_tube.png | Bin 663369 -> 690724 bytes
 docs/images/taxprofiler_tube.svg | 197 ++++++++++++++++++++-----------
 3 files changed, 131 insertions(+), 66 deletions(-)

diff --git a/docs/images/taxprofiler_tube.pdf b/docs/images/taxprofiler_tube.pdf
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From f414f5dc9c69b3ea74423ff02e2314f80d71b811 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 4 Nov 2022 18:20:44 +0100
Subject: [PATCH 456/789] Add falco to tube map

---
 docs/images/taxprofiler_tube.pdf | Bin 61523 -> 61548 bytes
 docs/images/taxprofiler_tube.png | Bin 690724 -> 706137 bytes
 docs/images/taxprofiler_tube.svg |  58 +++++++++++++++++++++++--------
 3 files changed, 44 insertions(+), 14 deletions(-)

diff --git a/docs/images/taxprofiler_tube.pdf b/docs/images/taxprofiler_tube.pdf
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diff --git a/docs/images/taxprofiler_tube.svg b/docs/images/taxprofiler_tube.svg
index 87c66c8..c4d2403 100644
--- a/docs/images/taxprofiler_tube.svg
+++ b/docs/images/taxprofiler_tube.svg
@@ -36,15 +36,15 @@
      fit-margin-left="0"
      fit-margin-right="0"
      fit-margin-bottom="0"
-     inkscape:zoom="0.71542514"
-     inkscape:cx="364.11916"
-     inkscape:cy="440.29764"
+     inkscape:zoom="1.0117639"
+     inkscape:cx="596.48301"
+     inkscape:cy="463.05268"
      inkscape:window-width="1920"
-     inkscape:window-height="1163"
+     inkscape:window-height="1016"
      inkscape:window-x="0"
      inkscape:window-y="0"
      inkscape:window-maximized="1"
-     inkscape:current-layer="g3070"
+     inkscape:current-layer="g27886"
      inkscape:showpageshadow="2"
      inkscape:deskcolor="#d1d1d1"><inkscape:grid
        type="xygrid"
@@ -3126,33 +3126,63 @@
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          style="font-size:4.23333px;line-height:1.25;font-family:Commissioner;-inkscape-font-specification:Commissioner;letter-spacing:0px;stroke-width:0.264583"
          x="-746.1651"
-         y="132.20062"
+         y="126.90896"
          id="text15609-36-6"><tspan
            sodipodi:role="line"
            style="font-style:normal;font-variant:normal;font-weight:bold;font-stretch:normal;font-family:'Maven Pro';-inkscape-font-specification:'Maven Pro Bold';text-align:center;text-anchor:middle;stroke-width:0.264583"
            x="-746.1651"
-           y="132.20062"
-           id="tspan15611-0-4">FastQC</tspan></text><text
+           y="126.90896"
+           id="tspan15611-0-4">FastQC</tspan><tspan
+           sodipodi:role="line"
+           style="font-style:normal;font-variant:normal;font-weight:bold;font-stretch:normal;font-family:'Maven Pro';-inkscape-font-specification:'Maven Pro Bold';text-align:center;text-anchor:middle;stroke-width:0.264583"
+           x="-746.1651"
+           y="132.24416"
+           id="tspan1305">falco</tspan></text><text
+         xml:space="preserve"
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+         y="96.481873"
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            x="-634.78503"
-           y="101.77354"
-           id="tspan15611-0-4-9">FastQC</tspan></text><text
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            x="-635.0401"
-           y="162.07314"
-           id="tspan15611-0-4-9-7">FastQC</tspan></text><path
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+           x="-635.0401"
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+           id="tspan1309">falco</tspan></text><path
          style="fill:#ffffff;stroke:none;stroke-width:0.529167;stroke-linecap:butt;stroke-linejoin:miter;stroke-dasharray:none;stroke-opacity:1"
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From 6b538d658a1d5286b72d42d2ae2dff7a6439e7c3 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Tue, 22 Nov 2022 10:13:10 +0100
Subject: [PATCH 457/789] chore: let all tests run to completion

---
 .github/workflows/ci.yml | 1 +
 1 file changed, 1 insertion(+)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 862e072..a2a1662 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -18,6 +18,7 @@ jobs:
     if: "${{ github.event_name != 'push' || (github.event_name == 'push' && github.repository == 'nf-core/taxprofiler') }}"
     runs-on: ubuntu-latest
     strategy:
+      fail-fast: false
       matrix:
         NXF_VER:
           - "21.10.3"

From 0f298dca4351cd4e57953ed025084c60db2e80f4 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 22 Nov 2022 12:13:08 +0100
Subject: [PATCH 458/789] group krakenuniq reads by pairs or single end

---
 subworkflows/local/profiling.nf | 10 ++++++++++
 1 file changed, 10 insertions(+)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 2cdf1d1..8c09af6 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -269,6 +269,16 @@ workflow PROFILING {
 
     if ( params.run_krakenuniq ) {
         ch_input_for_krakenuniq =  ch_input_for_profiling.krakenuniq
+                                    .map {
+                                        meta, reads, db_meta, db ->
+                                            def meta_new = [:]
+                                            meta_new['tool'] = meta['tool']
+                                            meta_new['single_end'] = meta['single_end']
+
+                                            [meta_new, reads, db_meta, db]
+                                    }
+                                    .groupTuple(by: [0,2,3])
+                                    .dump(tag: "krakenuniq_premultimap")
                                     .multiMap {
                                         it ->
                                             reads: [ it[0] + it[2], it[1] ]

From db334c51852d2b9a8b333df7f018405633500195 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 22 Nov 2022 12:17:08 +0100
Subject: [PATCH 459/789] Fix missing info

---
 subworkflows/local/profiling.nf | 1 -
 1 file changed, 1 deletion(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 8c09af6..51a38e3 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -272,7 +272,6 @@ workflow PROFILING {
                                     .map {
                                         meta, reads, db_meta, db ->
                                             def meta_new = [:]
-                                            meta_new['tool'] = meta['tool']
                                             meta_new['single_end'] = meta['single_end']
 
                                             [meta_new, reads, db_meta, db]

From b8937748d311d863aafeed02939388c3a2853c05 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 22 Nov 2022 12:18:52 +0100
Subject: [PATCH 460/789] Fix meta.id isssue

---
 subworkflows/local/profiling.nf | 1 +
 1 file changed, 1 insertion(+)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 51a38e3..80e0850 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -272,6 +272,7 @@ workflow PROFILING {
                                     .map {
                                         meta, reads, db_meta, db ->
                                             def meta_new = [:]
+                                            meta['id'] = db['db_name']
                                             meta_new['single_end'] = meta['single_end']
 
                                             [meta_new, reads, db_meta, db]

From 52fc00802bbde66722232b44076d5fdda7342d92 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 22 Nov 2022 12:19:56 +0100
Subject: [PATCH 461/789] Correct meta name for db meta

---
 subworkflows/local/profiling.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 80e0850..4fc490d 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -272,7 +272,7 @@ workflow PROFILING {
                                     .map {
                                         meta, reads, db_meta, db ->
                                             def meta_new = [:]
-                                            meta['id'] = db['db_name']
+                                            meta['id'] = db_meta['db_name']
                                             meta_new['single_end'] = meta['single_end']
 
                                             [meta_new, reads, db_meta, db]

From 5caebcc6ab38d2c6d557da77317eaba9965a5f6d Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 22 Nov 2022 12:21:59 +0100
Subject: [PATCH 462/789] Append to correct db

---
 subworkflows/local/profiling.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 4fc490d..e43a915 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -272,7 +272,7 @@ workflow PROFILING {
                                     .map {
                                         meta, reads, db_meta, db ->
                                             def meta_new = [:]
-                                            meta['id'] = db_meta['db_name']
+                                            meta_new['id'] = db_meta['db_name']
                                             meta_new['single_end'] = meta['single_end']
 
                                             [meta_new, reads, db_meta, db]

From 557f2a4d966ffd93137780f002a66c714d412865 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 22 Nov 2022 12:26:46 +0100
Subject: [PATCH 463/789] Extra dump

---
 subworkflows/local/profiling.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index e43a915..f904cc1 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -285,7 +285,7 @@ workflow PROFILING {
                                             db: it[3]
                                 }
         // Hardcode to _always_ produce the report file (which is our basic otput, and goes into)
-        KRAKENUNIQ_PRELOADEDKRAKENUNIQ ( ch_input_for_krakenuniq.reads, ch_input_for_krakenuniq.db, params.krakenuniq_ram_chunk_size, params.krakenuniq_save_reads, true, params.krakenuniq_save_readclassifications )
+        KRAKENUNIQ_PRELOADEDKRAKENUNIQ ( ch_input_for_krakenuniq.reads.dump(tag: "krakenuniq_input"), ch_input_for_krakenuniq.db, params.krakenuniq_ram_chunk_size, params.krakenuniq_save_reads, true, params.krakenuniq_save_readclassifications )
         ch_multiqc_files       = ch_multiqc_files.mix( KRAKENUNIQ_PRELOADEDKRAKENUNIQ.out.report )
         ch_versions            = ch_versions.mix( KRAKENUNIQ_PRELOADEDKRAKENUNIQ.out.versions.first() )
         ch_raw_classifications = ch_raw_classifications.mix( KRAKENUNIQ_PRELOADEDKRAKENUNIQ.out.classified_assignment )

From 3102e4005257fe7ff17c24b319774d0805431897 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 22 Nov 2022 12:46:26 +0100
Subject: [PATCH 464/789] dump teh db

---
 subworkflows/local/profiling.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index f904cc1..a46a773 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -285,7 +285,7 @@ workflow PROFILING {
                                             db: it[3]
                                 }
         // Hardcode to _always_ produce the report file (which is our basic otput, and goes into)
-        KRAKENUNIQ_PRELOADEDKRAKENUNIQ ( ch_input_for_krakenuniq.reads.dump(tag: "krakenuniq_input"), ch_input_for_krakenuniq.db, params.krakenuniq_ram_chunk_size, params.krakenuniq_save_reads, true, params.krakenuniq_save_readclassifications )
+        KRAKENUNIQ_PRELOADEDKRAKENUNIQ ( ch_input_for_krakenuniq.reads.dump(tag: "krakenuniq_input"), ch_input_for_krakenuniq.db.dump(tag: "krakenuniq_db"), params.krakenuniq_ram_chunk_size, params.krakenuniq_save_reads, true, params.krakenuniq_save_readclassifications )
         ch_multiqc_files       = ch_multiqc_files.mix( KRAKENUNIQ_PRELOADEDKRAKENUNIQ.out.report )
         ch_versions            = ch_versions.mix( KRAKENUNIQ_PRELOADEDKRAKENUNIQ.out.versions.first() )
         ch_raw_classifications = ch_raw_classifications.mix( KRAKENUNIQ_PRELOADEDKRAKENUNIQ.out.classified_assignment )

From 21759807f76bed0e34730c5b5cb90eed119ff9c2 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 22 Nov 2022 12:48:54 +0100
Subject: [PATCH 465/789] Does flatten work?

---
 subworkflows/local/profiling.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index a46a773..291d476 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -281,7 +281,7 @@ workflow PROFILING {
                                     .dump(tag: "krakenuniq_premultimap")
                                     .multiMap {
                                         it ->
-                                            reads: [ it[0] + it[2], it[1] ]
+                                            reads: [ it[0] + it[2], it[1].flatten() ]
                                             db: it[3]
                                 }
         // Hardcode to _always_ produce the report file (which is our basic otput, and goes into)

From ebfc84e235b6e1a79cdcfb6787652773393ed58a Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 22 Nov 2022 13:26:54 +0100
Subject: [PATCH 466/789] Does the grouping work if we have meta?

---
 modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf | 1 -
 subworkflows/local/profiling.nf                        | 1 -
 2 files changed, 2 deletions(-)

diff --git a/modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf b/modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf
index a355c13..85d35bd 100644
--- a/modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf
+++ b/modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf
@@ -1,5 +1,4 @@
 process KRAKENUNIQ_PRELOADEDKRAKENUNIQ {
-    tag "$meta.id"
     label 'process_high'
 
     conda (params.enable_conda ? "bioconda::krakenuniq=1.0.0" : null)
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 291d476..6e45648 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -272,7 +272,6 @@ workflow PROFILING {
                                     .map {
                                         meta, reads, db_meta, db ->
                                             def meta_new = [:]
-                                            meta_new['id'] = db_meta['db_name']
                                             meta_new['single_end'] = meta['single_end']
 
                                             [meta_new, reads, db_meta, db]

From e8de006ed65bfddc80d56e977880e40c3f70600c Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 22 Nov 2022 13:27:49 +0100
Subject: [PATCH 467/789] With a join

---
 modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf b/modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf
index 85d35bd..b0885c0 100644
--- a/modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf
+++ b/modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf
@@ -87,7 +87,7 @@ process KRAKENUNIQ_PRELOADEDKRAKENUNIQ {
         --preload $ram_chunk_size \\
         --threads $task.cpus"
 
-    for fastq in ${fastqs.join(' ')}; do \\
+    for fastq in "${fastqs.join('\" \"')}"; do \\
         PREFIX=\$(echo \$fastq)
         echo "krakenuniq \\
             --db $db \\

From cacd7d3128f1833cd19ec5627078e0d3570d219c Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 22 Nov 2022 13:33:13 +0100
Subject: [PATCH 468/789] Not just in stub

---
 modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf b/modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf
index b0885c0..362d3a9 100644
--- a/modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf
+++ b/modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf
@@ -45,7 +45,7 @@ process KRAKENUNIQ_PRELOADEDKRAKENUNIQ {
         --preload $ram_chunk_size \\
         --threads $task.cpus
 
-    for fastq in ${fastqs.join(' ')}; do \\
+    for fastq in "${fastqs.join('\" \"')}"; do \\
         PREFIX=\$(echo \$fastq)
         krakenuniq \\
             --db $db \\

From 06659af777ae59960f161222b4a01d85be64f24c Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 22 Nov 2022 13:36:40 +0100
Subject: [PATCH 469/789] Remove flatten

---
 subworkflows/local/profiling.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 6e45648..18b40b4 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -280,7 +280,7 @@ workflow PROFILING {
                                     .dump(tag: "krakenuniq_premultimap")
                                     .multiMap {
                                         it ->
-                                            reads: [ it[0] + it[2], it[1].flatten() ]
+                                            reads: [ it[0] + it[2], it[1] ]
                                             db: it[3]
                                 }
         // Hardcode to _always_ produce the report file (which is our basic otput, and goes into)

From a383c9ae4099d0b4bfed75d77e830faabe26e04a Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 22 Nov 2022 13:39:21 +0100
Subject: [PATCH 470/789] Remove the join

---
 modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf b/modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf
index 362d3a9..dc9b5a4 100644
--- a/modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf
+++ b/modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf
@@ -45,7 +45,8 @@ process KRAKENUNIQ_PRELOADEDKRAKENUNIQ {
         --preload $ram_chunk_size \\
         --threads $task.cpus
 
-    for fastq in "${fastqs.join('\" \"')}"; do \\
+#    for fastq in "${fastqs.join('\" \"')}"; do \\
+    for fastq in ${fastqs}; do \\
         PREFIX=\$(echo \$fastq)
         krakenuniq \\
             --db $db \\

From 30af26a8b361f3d0e79e24fda84c28d9cd265df9 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Tue, 22 Nov 2022 16:50:50 +0100
Subject: [PATCH 471/789] Include the mapped reads in samtools stats

---
 subworkflows/local/longread_hostremoval.nf  | 4 ++--
 subworkflows/local/shortread_hostremoval.nf | 6 +++---
 2 files changed, 5 insertions(+), 5 deletions(-)

diff --git a/subworkflows/local/longread_hostremoval.nf b/subworkflows/local/longread_hostremoval.nf
index 5f3f746..b6a9419 100644
--- a/subworkflows/local/longread_hostremoval.nf
+++ b/subworkflows/local/longread_hostremoval.nf
@@ -44,8 +44,8 @@ workflow LONGREAD_HOSTREMOVAL {
     SAMTOOLS_INDEX ( SAMTOOLS_VIEW.out.bam )
     ch_versions      = ch_versions.mix( SAMTOOLS_INDEX.out.versions.first() )
 
-    bam_bai = SAMTOOLS_VIEW.out.bam
-        .join(SAMTOOLS_INDEX.out.bai, remainder: true)
+    bam_bai = MINIMAP2_ALIGN.out.bam
+        .join(SAMTOOLS_INDEX.out.bai,by:[0], remainder: true)
 
     SAMTOOLS_STATS ( bam_bai, reference )
     ch_versions = ch_versions.mix(SAMTOOLS_STATS.out.versions.first())
diff --git a/subworkflows/local/shortread_hostremoval.nf b/subworkflows/local/shortread_hostremoval.nf
index 426442b..e0254c6 100644
--- a/subworkflows/local/shortread_hostremoval.nf
+++ b/subworkflows/local/shortread_hostremoval.nf
@@ -25,7 +25,7 @@ workflow SHORTREAD_HOSTREMOVAL {
         ch_bowtie2_index = index.first()
     }
 
-    BOWTIE2_ALIGN ( reads, ch_bowtie2_index, true, false )
+    BOWTIE2_ALIGN ( reads, ch_bowtie2_index, true, true)
     ch_versions      = ch_versions.mix( BOWTIE2_ALIGN.out.versions.first() )
     ch_multiqc_files = ch_multiqc_files.mix( BOWTIE2_ALIGN.out.log )
 
@@ -41,8 +41,8 @@ workflow SHORTREAD_HOSTREMOVAL {
     SAMTOOLS_INDEX ( SAMTOOLS_VIEW.out.bam )
     ch_versions      = ch_versions.mix( SAMTOOLS_INDEX.out.versions.first() )
 
-    bam_bai = SAMTOOLS_VIEW.out.bam
-        .join(SAMTOOLS_INDEX.out.bai, remainder: true)
+    bam_bai = BOWTIE2_ALIGN.out.bam
+        .join(SAMTOOLS_INDEX.out.bai, by:[0], remainder: true)
 
     SAMTOOLS_STATS ( bam_bai, reference )
     ch_versions = ch_versions.mix(SAMTOOLS_STATS.out.versions.first())

From 481f90589cb0941a6d3fad49cd1c0bea288a4676 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Wed, 23 Nov 2022 09:08:22 +0100
Subject: [PATCH 472/789] Apply review suggestions

---
 subworkflows/local/longread_hostremoval.nf  | 2 +-
 subworkflows/local/shortread_hostremoval.nf | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/subworkflows/local/longread_hostremoval.nf b/subworkflows/local/longread_hostremoval.nf
index b6a9419..3f9fdef 100644
--- a/subworkflows/local/longread_hostremoval.nf
+++ b/subworkflows/local/longread_hostremoval.nf
@@ -45,7 +45,7 @@ workflow LONGREAD_HOSTREMOVAL {
     ch_versions      = ch_versions.mix( SAMTOOLS_INDEX.out.versions.first() )
 
     bam_bai = MINIMAP2_ALIGN.out.bam
-        .join(SAMTOOLS_INDEX.out.bai,by:[0], remainder: true)
+        .join(SAMTOOLS_INDEX.out.bai, remainder: true)
 
     SAMTOOLS_STATS ( bam_bai, reference )
     ch_versions = ch_versions.mix(SAMTOOLS_STATS.out.versions.first())
diff --git a/subworkflows/local/shortread_hostremoval.nf b/subworkflows/local/shortread_hostremoval.nf
index e0254c6..04c8556 100644
--- a/subworkflows/local/shortread_hostremoval.nf
+++ b/subworkflows/local/shortread_hostremoval.nf
@@ -42,7 +42,7 @@ workflow SHORTREAD_HOSTREMOVAL {
     ch_versions      = ch_versions.mix( SAMTOOLS_INDEX.out.versions.first() )
 
     bam_bai = BOWTIE2_ALIGN.out.bam
-        .join(SAMTOOLS_INDEX.out.bai, by:[0], remainder: true)
+        .join(SAMTOOLS_INDEX.out.bai, remainder: true)
 
     SAMTOOLS_STATS ( bam_bai, reference )
     ch_versions = ch_versions.mix(SAMTOOLS_STATS.out.versions.first())

From 9feb6c2db6f4d6e16d4a75ceb0e4f901fd5e5f20 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 24 Nov 2022 14:44:04 +0100
Subject: [PATCH 473/789] Update MALT

---
 conf/modules.config              | 2 +-
 modules.json                     | 2 +-
 modules/nf-core/malt/run/main.nf | 8 +++-----
 subworkflows/local/profiling.nf  | 2 +-
 4 files changed, 6 insertions(+), 8 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index f9d51d8..ea569b6 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -281,7 +281,7 @@ process {
     }
 
     withName: MALT_RUN {
-        ext.args = { "${meta.db_params}" }
+        ext.args = { "${meta.db_params} -m ${params.malt_mode}" }
         // one run with multiple samples, so fix ID to just db name to ensure clean log name
         ext.prefix = { "${meta.db_name}" }
         publishDir = [
diff --git a/modules.json b/modules.json
index 62f6539..fabd8db 100644
--- a/modules.json
+++ b/modules.json
@@ -107,7 +107,7 @@
                     },
                     "malt/run": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "6d9712f03ec2de8264a50ee4541a617e1e063b51"
                     },
                     "megan/rma2info": {
                         "branch": "master",
diff --git a/modules/nf-core/malt/run/main.nf b/modules/nf-core/malt/run/main.nf
index 2b91d90..2e75b4c 100644
--- a/modules/nf-core/malt/run/main.nf
+++ b/modules/nf-core/malt/run/main.nf
@@ -2,14 +2,13 @@ process MALT_RUN {
     tag "$meta.id"
     label 'process_high'
 
-    conda (params.enable_conda ? "bioconda::malt=0.41" : null)
+    conda (params.enable_conda ? "bioconda::malt=0.61" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/malt:0.41--1' :
-        'quay.io/biocontainers/malt:0.41--1' }"
+        'https://depot.galaxyproject.org/singularity/malt:0.61--hdfd78af_0' :
+        'quay.io/biocontainers/malt:0.61--hdfd78af_0' }"
 
     input:
     tuple val(meta), path(fastqs)
-    val mode
     path index
 
     output:
@@ -38,7 +37,6 @@ process MALT_RUN {
         -o . \\
         $args \\
         --inFile ${fastqs.join(' ')} \\
-        -m $mode \\
         --index $index/ |&tee ${prefix}-malt-run.log
 
     cat <<-END_VERSIONS > versions.yml
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index b86c165..6cac3e1 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -95,7 +95,7 @@ workflow PROFILING {
                                         db: it[2]
                                 }
 
-        MALT_RUN ( ch_input_for_malt.reads, params.malt_mode, ch_input_for_malt.db )
+        MALT_RUN ( ch_input_for_malt.reads, ch_input_for_malt.db )
 
         ch_maltrun_for_megan = MALT_RUN.out.rma6
                                 .transpose()

From 131b39aa8b3ecfae3d18f781f7440929243ab3a6 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 24 Nov 2022 15:49:06 +0100
Subject: [PATCH 474/789] Fix linting

---
 modules/nf-core/malt/run/meta.yml | 4 ----
 1 file changed, 4 deletions(-)

diff --git a/modules/nf-core/malt/run/meta.yml b/modules/nf-core/malt/run/meta.yml
index 66f2d7a..8fa1958 100644
--- a/modules/nf-core/malt/run/meta.yml
+++ b/modules/nf-core/malt/run/meta.yml
@@ -28,10 +28,6 @@ input:
       type: file
       description: Input FASTQ files
       pattern: "*.{fastq.gz,fq.gz}"
-  - mode:
-      type: string
-      description: Program mode
-      pattern: "Unknown|BlastN|BlastP|BlastX|Classifier"
   - index:
       type: directory
       description: Index/database directory from malt-build

From a20b3e3c58a54274f908afdb231739f51eb3da4e Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 24 Nov 2022 15:51:12 +0100
Subject: [PATCH 475/789] Try to reduce MALT memory

---
 conf/test.config                 |  1 +
 conf/test_nopreprocessing.config |  1 +
 conf/test_nothing.config         |  1 +
 conf/test_pep.config             |  1 +
 lib/WorkflowMain.groovy          | 15 ++++++++-------
 5 files changed, 12 insertions(+), 7 deletions(-)

diff --git a/conf/test.config b/conf/test.config
index 777d9bf..03b8307 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -51,6 +51,7 @@ params {
 process {
     withName: MALT_RUN {
         maxForks = 1
+        ext.args = "-m ${params.malt_mode} -J-Xmx8G"
     }
     withName: MEGAN_RMA2INFO_TSV {
         maxForks = 1
diff --git a/conf/test_nopreprocessing.config b/conf/test_nopreprocessing.config
index 357f76f..c87cf6c 100644
--- a/conf/test_nopreprocessing.config
+++ b/conf/test_nopreprocessing.config
@@ -45,5 +45,6 @@ params {
 process {
     withName: MALT_RUN {
         maxForks = 1
+        ext.args = "-m ${params.malt_mode} -J-Xmx8G"
     }
 }
diff --git a/conf/test_nothing.config b/conf/test_nothing.config
index df09613..0a969a6 100644
--- a/conf/test_nothing.config
+++ b/conf/test_nothing.config
@@ -44,5 +44,6 @@ params {
 process {
     withName: MALT_RUN {
         maxForks = 1
+        ext.args = "-m ${params.malt_mode} -J-Xmx8G"
     }
 }
diff --git a/conf/test_pep.config b/conf/test_pep.config
index 762ebb3..3cd6dd0 100644
--- a/conf/test_pep.config
+++ b/conf/test_pep.config
@@ -37,6 +37,7 @@ params {
 process {
     withName: MALT_RUN {
         maxForks = 1
+        ext.args = "-m ${params.malt_mode} -J-Xmx8G"
     }
     withName: MEGAN_RMA2INFO {
         maxForks = 1
diff --git a/lib/WorkflowMain.groovy b/lib/WorkflowMain.groovy
index 7883d70..02d4347 100755
--- a/lib/WorkflowMain.groovy
+++ b/lib/WorkflowMain.groovy
@@ -12,9 +12,9 @@ class WorkflowMain {
             // TODO nf-core: Add Zenodo DOI for pipeline after first release
             //"* The pipeline\n" +
             //"  https://doi.org/10.5281/zenodo.XXXXXXX\n\n" +
-            "* The nf-core framework\n" +
-            "  https://doi.org/10.1038/s41587-020-0439-x\n\n" +
-            "* Software dependencies\n" +
+            '* The nf-core framework\n' +
+            '  https://doi.org/10.1038/s41587-020-0439-x\n\n' +
+            '* Software dependencies\n' +
             "  https://github.com/${workflow.manifest.name}/blob/master/CITATIONS.md"
     }
 
@@ -53,15 +53,15 @@ class WorkflowMain {
             System.exit(0)
         }
 
+        // Print parameter summary log to screen
+
+        log.info paramsSummaryLog(workflow, params, log)
+
         // Validate workflow parameters via the JSON schema
         if (params.validate_params) {
             NfcoreSchema.validateParameters(workflow, params, log)
         }
 
-        // Print parameter summary log to screen
-
-        log.info paramsSummaryLog(workflow, params, log)
-
         // Check that a -profile or Nextflow config has been provided to run the pipeline
         NfcoreTemplate.checkConfigProvided(workflow, log)
 
@@ -90,4 +90,5 @@ class WorkflowMain {
         }
         return null
     }
+
 }

From 17b1e3df1c230f1767deb7cb7f3e1bdf5db09556 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Thu, 24 Nov 2022 16:53:39 +0100
Subject: [PATCH 476/789] Update test.config

---
 conf/test.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/conf/test.config b/conf/test.config
index 03b8307..b3ad7bd 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -51,7 +51,7 @@ params {
 process {
     withName: MALT_RUN {
         maxForks = 1
-        ext.args = "-m ${params.malt_mode} -J-Xmx8G"
+        ext.args = "-m ${params.malt_mode} -J-Xmx12G"
     }
     withName: MEGAN_RMA2INFO_TSV {
         maxForks = 1

From f114cc41220c9e48bc3a2f6f6c2e72e5ecade8a8 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Thu, 24 Nov 2022 16:55:19 +0100
Subject: [PATCH 477/789] Apply suggestions from code review

---
 conf/test.config                 | 2 +-
 conf/test_nopreprocessing.config | 2 +-
 conf/test_nothing.config         | 2 +-
 conf/test_pep.config             | 2 +-
 4 files changed, 4 insertions(+), 4 deletions(-)

diff --git a/conf/test.config b/conf/test.config
index b3ad7bd..e79bef4 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -51,7 +51,7 @@ params {
 process {
     withName: MALT_RUN {
         maxForks = 1
-        ext.args = "-m ${params.malt_mode} -J-Xmx12G"
+        ext.args = { "-m ${params.malt_mode} -J-Xmx12G" }
     }
     withName: MEGAN_RMA2INFO_TSV {
         maxForks = 1
diff --git a/conf/test_nopreprocessing.config b/conf/test_nopreprocessing.config
index c87cf6c..eae6144 100644
--- a/conf/test_nopreprocessing.config
+++ b/conf/test_nopreprocessing.config
@@ -45,6 +45,6 @@ params {
 process {
     withName: MALT_RUN {
         maxForks = 1
-        ext.args = "-m ${params.malt_mode} -J-Xmx8G"
+        ext.args = { "-m ${params.malt_mode} -J-Xmx12G" }
     }
 }
diff --git a/conf/test_nothing.config b/conf/test_nothing.config
index 0a969a6..ca75380 100644
--- a/conf/test_nothing.config
+++ b/conf/test_nothing.config
@@ -44,6 +44,6 @@ params {
 process {
     withName: MALT_RUN {
         maxForks = 1
-        ext.args = "-m ${params.malt_mode} -J-Xmx8G"
+        ext.args = { "-m ${params.malt_mode} -J-Xmx12G" }
     }
 }
diff --git a/conf/test_pep.config b/conf/test_pep.config
index 3cd6dd0..6ce788d 100644
--- a/conf/test_pep.config
+++ b/conf/test_pep.config
@@ -37,7 +37,7 @@ params {
 process {
     withName: MALT_RUN {
         maxForks = 1
-        ext.args = "-m ${params.malt_mode} -J-Xmx8G"
+        ext.args = { "-m ${params.malt_mode} -J-Xmx12G" }
     }
     withName: MEGAN_RMA2INFO {
         maxForks = 1

From f13185d98bcea2d45ccd220d189c6035e347f101 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 29 Nov 2022 10:13:46 +0100
Subject: [PATCH 478/789] Fix schema location ofr fastqc/falco option

---
 nextflow_schema.json | 72 +++++++++++++++++++++++++++++++++-----------
 1 file changed, 55 insertions(+), 17 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index a66b0f1..fd0a031 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,7 +10,11 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["input", "databases", "outdir"],
+            "required": [
+                "input",
+                "databases",
+                "outdir"
+            ],
             "properties": {
                 "input": {
                     "type": "string",
@@ -56,6 +60,17 @@
             "description": "Common options across both long and short read preprocessing QC steps",
             "default": "",
             "properties": {
+                "preprocessing_qc_tool": {
+                    "type": "string",
+                    "default": "fastqc",
+                    "enum": [
+                        "fastqc",
+                        "falco"
+                    ],
+                    "help_text": "Falco is designed as a drop-in replacement for FastQC but written in C++ for faster computation. We particularly recommend using falco when using long reads (due to reduced memory constraints), however is also applicable for short reads.",
+                    "description": "Specify the tool used for quality control of raw sequencing reads",
+                    "fa_icon": "fas fa-tools"
+                },
                 "save_preprocessed_reads": {
                     "type": "boolean",
                     "fa_icon": "fas fa-save",
@@ -80,7 +95,10 @@
                 "shortread_qc_tool": {
                     "type": "string",
                     "default": "fastp",
-                    "enum": ["fastp", "adapterremoval"],
+                    "enum": [
+                        "fastp",
+                        "adapterremoval"
+                    ],
                     "fa_icon": "fas fa-tools",
                     "description": "Specify which tool to use for short-read QC"
                 },
@@ -139,7 +157,11 @@
                 "shortread_complexityfilter_tool": {
                     "type": "string",
                     "default": "bbduk",
-                    "enum": ["bbduk", "prinseqplusplus", "fastp"],
+                    "enum": [
+                        "bbduk",
+                        "prinseqplusplus",
+                        "fastp"
+                    ],
                     "fa_icon": "fas fa-hammer",
                     "description": "Specify which tool to use for complexity filtering"
                 },
@@ -173,7 +195,10 @@
                 "shortread_complexityfilter_prinseqplusplus_mode": {
                     "type": "string",
                     "default": "entropy",
-                    "enum": ["entropy", "dust"],
+                    "enum": [
+                        "entropy",
+                        "dust"
+                    ],
                     "fa_icon": "fas fa-check-square",
                     "description": "Specify the complexity filter mode for PRINSEQ++"
                 },
@@ -347,7 +372,15 @@
                 "diamond_output_format": {
                     "type": "string",
                     "default": "tsv",
-                    "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"],
+                    "enum": [
+                        "blast",
+                        "xml",
+                        "txt",
+                        "daa",
+                        "sam",
+                        "tsv",
+                        "paf"
+                    ],
                     "fa_icon": "fas fa-file",
                     "description": "Specify output format from DIAMOND profiling.",
                     "help_text": "DIAMOND can produce output in a number of different formats, you can specify here which to produce.\n\nNote that DIAMOND can only produce one format at a time, and depending on which you pick, some downstream steps may not be executed. For example, selecting `daa` or `sam` will mean you will not get a tabular taxonomic profile as with the other tools.\n\nWill be overriden by `--diamond_save_reads.`\n\n> Modifies tool parameter(s):\n> - diamond blastx: `--outfmt`"
@@ -366,7 +399,14 @@
                 "kaiju_taxon_rank": {
                     "type": "string",
                     "default": "species",
-                    "enum": ["phylum", "class", "order", "family", "genus", "species"],
+                    "enum": [
+                        "phylum",
+                        "class",
+                        "order",
+                        "family",
+                        "genus",
+                        "species"
+                    ],
                     "fa_icon": "fas fa-tag",
                     "description": "Specify taxonomic rank to be displayed in Kaiju taxon table",
                     "help_text": "Specify the taxonomic level(s) to be displayed in the resulting Kaiju taxon table, as generated by the kaiju2table helper tool.\n\nThis can be either a single level (e.g. `species`), or a comma separated list to display the full taxonomic path (e.g. `superkingdom,phylum,class,order,family,genus,species.`).\n\n> Modifies tool parameter(s):\n> - kaiju2table: `-l`"
@@ -572,7 +612,14 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
+                    "enum": [
+                        "symlink",
+                        "rellink",
+                        "link",
+                        "copy",
+                        "copyNoFollow",
+                        "move"
+                    ],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -724,14 +771,5 @@
         {
             "$ref": "#/definitions/reference_genome_options"
         }
-    ],
-    "properties": {
-        "preprocessing_qc_tool": {
-            "type": "string",
-            "default": "fastqc",
-            "enum": ["fastqc", "falco"],
-            "help_text": "Falco is designed as a drop-in replacement for FastQC but written in C++ for faster computation. We particularly recommend using falco when using long reads (due to reduced memory constraints), however is also applicable for short reads.",
-            "description": "Specify the tool used for quality control of raw sequencing reads"
-        }
-    }
+    ]
 }

From ddcf38de22011a59446e5343c7bbcae430a03529 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Tue, 29 Nov 2022 10:14:20 +0100
Subject: [PATCH 479/789] refactor: make mappings explicit

---
 subworkflows/local/profiling.nf | 11 ++++-------
 1 file changed, 4 insertions(+), 7 deletions(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 18b40b4..4ca2c4c 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -271,17 +271,14 @@ workflow PROFILING {
         ch_input_for_krakenuniq =  ch_input_for_profiling.krakenuniq
                                     .map {
                                         meta, reads, db_meta, db ->
-                                            def meta_new = [:]
-                                            meta_new['single_end'] = meta['single_end']
-
-                                            [meta_new, reads, db_meta, db]
+                                            [[single_end: meta.single_end], reads, db_meta, db]
                                     }
                                     .groupTuple(by: [0,2,3])
                                     .dump(tag: "krakenuniq_premultimap")
                                     .multiMap {
-                                        it ->
-                                            reads: [ it[0] + it[2], it[1] ]
-                                            db: it[3]
+                                        single_meta, reads, db_meta, db ->
+                                            reads: [ single_meta + db_meta, reads.flatten() ]
+                                            db: db
                                 }
         // Hardcode to _always_ produce the report file (which is our basic otput, and goes into)
         KRAKENUNIQ_PRELOADEDKRAKENUNIQ ( ch_input_for_krakenuniq.reads.dump(tag: "krakenuniq_input"), ch_input_for_krakenuniq.db.dump(tag: "krakenuniq_db"), params.krakenuniq_ram_chunk_size, params.krakenuniq_save_reads, true, params.krakenuniq_save_readclassifications )

From d6c0ebb4c6256375bfc152fa968c738d188958a0 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 29 Nov 2022 10:14:33 +0100
Subject: [PATCH 480/789] Prettier

---
 nextflow_schema.json | 55 +++++++-------------------------------------
 1 file changed, 8 insertions(+), 47 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index fd0a031..ea47d39 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,11 +10,7 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": [
-                "input",
-                "databases",
-                "outdir"
-            ],
+            "required": ["input", "databases", "outdir"],
             "properties": {
                 "input": {
                     "type": "string",
@@ -63,10 +59,7 @@
                 "preprocessing_qc_tool": {
                     "type": "string",
                     "default": "fastqc",
-                    "enum": [
-                        "fastqc",
-                        "falco"
-                    ],
+                    "enum": ["fastqc", "falco"],
                     "help_text": "Falco is designed as a drop-in replacement for FastQC but written in C++ for faster computation. We particularly recommend using falco when using long reads (due to reduced memory constraints), however is also applicable for short reads.",
                     "description": "Specify the tool used for quality control of raw sequencing reads",
                     "fa_icon": "fas fa-tools"
@@ -95,10 +88,7 @@
                 "shortread_qc_tool": {
                     "type": "string",
                     "default": "fastp",
-                    "enum": [
-                        "fastp",
-                        "adapterremoval"
-                    ],
+                    "enum": ["fastp", "adapterremoval"],
                     "fa_icon": "fas fa-tools",
                     "description": "Specify which tool to use for short-read QC"
                 },
@@ -157,11 +147,7 @@
                 "shortread_complexityfilter_tool": {
                     "type": "string",
                     "default": "bbduk",
-                    "enum": [
-                        "bbduk",
-                        "prinseqplusplus",
-                        "fastp"
-                    ],
+                    "enum": ["bbduk", "prinseqplusplus", "fastp"],
                     "fa_icon": "fas fa-hammer",
                     "description": "Specify which tool to use for complexity filtering"
                 },
@@ -195,10 +181,7 @@
                 "shortread_complexityfilter_prinseqplusplus_mode": {
                     "type": "string",
                     "default": "entropy",
-                    "enum": [
-                        "entropy",
-                        "dust"
-                    ],
+                    "enum": ["entropy", "dust"],
                     "fa_icon": "fas fa-check-square",
                     "description": "Specify the complexity filter mode for PRINSEQ++"
                 },
@@ -372,15 +355,7 @@
                 "diamond_output_format": {
                     "type": "string",
                     "default": "tsv",
-                    "enum": [
-                        "blast",
-                        "xml",
-                        "txt",
-                        "daa",
-                        "sam",
-                        "tsv",
-                        "paf"
-                    ],
+                    "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"],
                     "fa_icon": "fas fa-file",
                     "description": "Specify output format from DIAMOND profiling.",
                     "help_text": "DIAMOND can produce output in a number of different formats, you can specify here which to produce.\n\nNote that DIAMOND can only produce one format at a time, and depending on which you pick, some downstream steps may not be executed. For example, selecting `daa` or `sam` will mean you will not get a tabular taxonomic profile as with the other tools.\n\nWill be overriden by `--diamond_save_reads.`\n\n> Modifies tool parameter(s):\n> - diamond blastx: `--outfmt`"
@@ -399,14 +374,7 @@
                 "kaiju_taxon_rank": {
                     "type": "string",
                     "default": "species",
-                    "enum": [
-                        "phylum",
-                        "class",
-                        "order",
-                        "family",
-                        "genus",
-                        "species"
-                    ],
+                    "enum": ["phylum", "class", "order", "family", "genus", "species"],
                     "fa_icon": "fas fa-tag",
                     "description": "Specify taxonomic rank to be displayed in Kaiju taxon table",
                     "help_text": "Specify the taxonomic level(s) to be displayed in the resulting Kaiju taxon table, as generated by the kaiju2table helper tool.\n\nThis can be either a single level (e.g. `species`), or a comma separated list to display the full taxonomic path (e.g. `superkingdom,phylum,class,order,family,genus,species.`).\n\n> Modifies tool parameter(s):\n> - kaiju2table: `-l`"
@@ -612,14 +580,7 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": [
-                        "symlink",
-                        "rellink",
-                        "link",
-                        "copy",
-                        "copyNoFollow",
-                        "move"
-                    ],
+                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
                     "hidden": true
                 },
                 "email_on_fail": {

From af8ce2cbfd98ec04e7fd9e74ea0bb2fe58fcede3 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Tue, 29 Nov 2022 10:27:35 +0100
Subject: [PATCH 481/789] chore: update krakenuniq

---
 modules.json                                  |   2 +-
 .../krakenuniq/preloadedkrakenuniq/main.nf    | 258 ++++++++++++------
 .../krakenuniq/preloadedkrakenuniq/meta.yml   |   7 +-
 3 files changed, 187 insertions(+), 80 deletions(-)

diff --git a/modules.json b/modules.json
index 8956e42..404ae6d 100644
--- a/modules.json
+++ b/modules.json
@@ -99,7 +99,7 @@
                     },
                     "krakenuniq/preloadedkrakenuniq": {
                         "branch": "master",
-                        "git_sha": "13b9d4854593c03e5e25e8a8f47462542c2c0dd4"
+                        "git_sha": "05649975c6611c6e007537a7984e186e12ae03af"
                     },
                     "krona/ktimporttaxonomy": {
                         "branch": "master",
diff --git a/modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf b/modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf
index dc9b5a4..0ecacee 100644
--- a/modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf
+++ b/modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf
@@ -1,4 +1,5 @@
 process KRAKENUNIQ_PRELOADEDKRAKENUNIQ {
+    tag "$meta.id"
     label 'process_high'
 
     conda (params.enable_conda ? "bioconda::krakenuniq=1.0.0" : null)
@@ -29,90 +30,195 @@ process KRAKENUNIQ_PRELOADEDKRAKENUNIQ {
     def args = task.ext.args ?: ''
     def args2 = task.ext.args ?: ''
 
-    def paired       = meta.single_end ? "" : "--paired"
-    def classified   = meta.single_end ? '"\$PREFIX".classified.fastq'   : '"\$PREFIX".classified#.fastq'
-    def unclassified = meta.single_end ? '"\$PREFIX".unclassified.fastq' : '"\$PREFIX".unclassified#.fastq'
-    def classified_option = save_output_fastqs ? "--classified-out ${classified}" : ""
-    def unclassified_option = save_output_fastqs ? "--unclassified-out ${unclassified}" : ""
-    def output_option = save_output ? '--output "\$PREFIX".krakenuniq.classified.txt' : ""
-    def report = report_file ? '--report-file "\$PREFIX".krakenuniq.report.txt' : ""
-    def compress_reads_command = save_output_fastqs ? "gzip --no-name *.fastq" : ""
-
-    """
-    krakenuniq \\
-        $args \\
-        --db $db \\
-        --preload $ram_chunk_size \\
-        --threads $task.cpus
-
-#    for fastq in "${fastqs.join('\" \"')}"; do \\
-    for fastq in ${fastqs}; do \\
-        PREFIX=\$(echo \$fastq)
+    def classified   = meta.single_end ? '"\${PREFIX}.classified.fastq"'   : '"\${PREFIX}.classified#.fastq"'
+    def unclassified = meta.single_end ? '"\${PREFIX}.unclassified.fastq"' : '"\${PREFIX}.unclassified#.fastq"'
+    def classified_option = save_output_fastqs ? "--classified-out ${classified}" : ''
+    def unclassified_option = save_output_fastqs ? "--unclassified-out ${unclassified}" : ''
+    def output_option = save_output ? '--output "\${PREFIX}.krakenuniq.classified.txt"' : ''
+    def report = report_file ? '--report-file "\${PREFIX}.krakenuniq.report.txt"' : ''
+    def compress_reads_command = save_output_fastqs ? 'gzip --no-name *.fastq' : ''
+    if (meta.single_end) {
+        """
         krakenuniq \\
             --db $db \\
+            --preload \\
+            --preload-size $ram_chunk_size \\
             --threads $task.cpus \\
-            $report \\
-            $output_option \\
-            $unclassified_option \\
-            $classified_option \\
-            $output_option \\
-            $paired \\
-            $args2 \\
-            \$fastq
-    done
-
-    $compress_reads_command
-
-    cat <<-END_VERSIONS > versions.yml
-    "${task.process}":
-        krakenuniq: \$(echo \$(krakenuniq --version 2>&1) | sed 's/^.*KrakenUniq version //; s/ .*\$//')
-    END_VERSIONS
-    """
+            $args
+
+        strip_suffix() {
+            local result=\$1
+            # Strip any file extensions.
+            echo "\${result%%.*}"
+        }
+
+        printf "%s\\n" ${fastqs} | while read FASTQ; do \\
+            PREFIX="\$(strip_suffix "\${FASTQ}")"
+
+            krakenuniq \\
+                --db $db \\
+                --threads $task.cpus \\
+                $report \\
+                $output_option \\
+                $unclassified_option \\
+                $classified_option \\
+                $output_option \\
+                $args2 \\
+                "\${FASTQ}"
+        done
+
+        $compress_reads_command
+
+        cat <<-END_VERSIONS > versions.yml
+        "${task.process}":
+            krakenuniq: \$(echo \$(krakenuniq --version 2>&1) | sed 's/^.*KrakenUniq version //; s/ .*\$//')
+        END_VERSIONS
+        """
+    } else {
+        """
+        krakenuniq \\
+            --db $db \\
+            --preload \\
+            --preload-size $ram_chunk_size \\
+            --threads $task.cpus \\
+            $args
+
+        strip_suffix() {
+            local result
+            read result
+            # Strip any trailing dot or underscore.
+            result="\${result%_}"
+            echo "\${result%.}"
+        }
+
+        printf "%s %s\\n" ${fastqs} | while read FASTQ; do \\
+            read -r -a FASTQ <<< "\${FASTQ}"
+            PREFIX="\$(printf "%s\\n" "\${FASTQ[@]}" |  sed -e 'N;s/^\\(.*\\).*\\n\\1.*\$/\\1\\n\\1/;D' | strip_suffix)"
+
+            krakenuniq \\
+                --db $db \\
+                --threads $task.cpus \\
+                $report \\
+                $output_option \\
+                $unclassified_option \\
+                $classified_option \\
+                $output_option \\
+                --paired \\
+                $args2 \\
+                "\${FASTQ[@]}"
+        done
+
+        $compress_reads_command
+
+        cat <<-END_VERSIONS > versions.yml
+        "${task.process}":
+            krakenuniq: \$(echo \$(krakenuniq --version 2>&1) | sed 's/^.*KrakenUniq version //; s/ .*\$//')
+        END_VERSIONS
+        """
+    }
 
     stub:
     def args = task.ext.args ?: ''
     def args2 = task.ext.args ?: ''
 
-    def paired       = meta.single_end ? "" : "--paired"
-    def classified   = meta.single_end ? '"\$PREFIX".classified.fastq'   : '"\$PREFIX".classified#.fastq'
-    def unclassified = meta.single_end ? '"\$PREFIX".unclassified.fastq' : '"\$PREFIX".unclassified#.fastq'
-    def classified_option = save_output_fastqs ? "--classified-out ${classified}" : ""
-    def unclassified_option = save_output_fastqs ? "--unclassified-out ${unclassified}" : ""
-    def output_option = save_output ? '--output "\$PREFIX".krakenuniq.classified.txt' : ""
-    def report = report_file ? '--report-file "\$PREFIX".krakenuniq.report.txt' : ""
-    def compress_reads_command = save_output_fastqs ? "echo 'gzip --no-name *.fastq'" : ""
-    """
-    echo "krakenuniq \\
-        $args \\
-        --db $db \\
-        --preload $ram_chunk_size \\
-        --threads $task.cpus"
-
-    for fastq in "${fastqs.join('\" \"')}"; do \\
-        PREFIX=\$(echo \$fastq)
-        echo "krakenuniq \\
+    def classified   = meta.single_end ? '"\${PREFIX}.classified.fastq"'   : '"\${PREFIX}.classified#.fastq"'
+    def unclassified = meta.single_end ? '"\${PREFIX}.unclassified.fastq"' : '"\${PREFIX}.unclassified#.fastq"'
+    def classified_option = save_output_fastqs ? "--classified-out ${classified}" : ''
+    def unclassified_option = save_output_fastqs ? "--unclassified-out ${unclassified}" : ''
+    def output_option = save_output ? '--output "\${PREFIX}.krakenuniq.classified.txt"' : ''
+    def report = report_file ? '--report-file "\${PREFIX}.krakenuniq.report.txt"' : ''
+    def compress_reads_command = save_output_fastqs ? 'gzip --no-name *.fastq' : ''
+    if (meta.single_end) {
+        """
+        echo krakenuniq \\
+            --db $db \\
+            --preload \\
+            --preload-size $ram_chunk_size \\
+            --threads $task.cpus \\
+            $args
+
+        strip_suffix() {
+            local result=\$1
+            # Strip any file extensions.
+            echo "\${result%%.*}"
+        }
+
+        printf "%s\\n" ${fastqs} | while read FASTQ; do \\
+            echo "\${FASTQ}"
+            PREFIX="\$(strip_suffix "\${FASTQ}")"
+            echo "\${PREFIX}"
+
+            echo krakenuniq \\
+                --db $db \\
+                --threads $task.cpus \\
+                $report \\
+                $output_option \\
+                $unclassified_option \\
+                $classified_option \\
+                $output_option \\
+                $args2 \\
+                "\${FASTQ}"
+
+            touch "\${PREFIX}.classified.fastq.gz"
+            touch "\${PREFIX}.krakenuniq.classified.txt"
+            touch "\${PREFIX}.krakenuniq.report.txt"
+            touch "\${PREFIX}.unclassified.fastq.gz"
+        done
+
+        echo $compress_reads_command
+
+        cat <<-END_VERSIONS > versions.yml
+        "${task.process}":
+            krakenuniq: \$(echo \$(krakenuniq --version 2>&1) | sed 's/^.*KrakenUniq version //; s/ .*\$//')
+        END_VERSIONS
+        """
+    } else {
+        """
+        echo krakenuniq \\
             --db $db \\
+            --preload \\
+            --preload-size $ram_chunk_size \\
             --threads $task.cpus \\
-            $report \\
-            $output_option \\
-            $unclassified_option \\
-            $classified_option \\
-            $output_option \\
-            $paired \\
-            $args2 \\
-            \$fastq"
-
-        touch "\$PREFIX".classified.fastq.gz
-        touch "\$PREFIX".krakenuniq.classified.txt
-        touch "\$PREFIX".krakenuniq.report.txt
-        touch "\$PREFIX".unclassified.fastq.gz
-    done
-
-    $compress_reads_command
-
-    cat <<-END_VERSIONS > versions.yml
-    "${task.process}":
-        krakenuniq: \$(echo \$(krakenuniq --version 2>&1) | sed 's/^.*KrakenUniq version //; s/ .*\$//')
-    END_VERSIONS
-    """
+            $args
+
+        strip_suffix() {
+            local result
+            read result
+            # Strip any trailing dot or underscore.
+            result="\${result%_}"
+            echo "\${result%.}"
+        }
+
+        printf "%s %s\\n" ${fastqs} | while read FASTQ; do \\
+            read -r -a FASTQ <<< "\${FASTQ}"
+            echo "\${FASTQ[@]}"
+            PREFIX="\$(printf "%s\\n" "\${FASTQ[@]}" |  sed -e 'N;s/^\\(.*\\).*\\n\\1.*\$/\\1\\n\\1/;D' | strip_suffix)"
+            echo "\${PREFIX}"
+
+            echo krakenuniq \\
+                --db $db \\
+                --threads $task.cpus \\
+                $report \\
+                $output_option \\
+                $unclassified_option \\
+                $classified_option \\
+                $output_option \\
+                --paired \\
+                $args2 \\
+                "\${FASTQ[@]}"
+
+            touch "\${PREFIX}.classified_1.fastq.gz" "\${PREFIX}.classified_2.fastq.gz"
+            touch "\${PREFIX}.krakenuniq.classified.txt"
+            touch "\${PREFIX}.krakenuniq.report.txt"
+            touch "\${PREFIX}.unclassified_1.fastq.gz" "\${PREFIX}.unclassified_2.fastq.gz"
+        done
+
+        echo $compress_reads_command
+
+        cat <<-END_VERSIONS > versions.yml
+        "${task.process}":
+            krakenuniq: \$(echo \$(krakenuniq --version 2>&1) | sed 's/^.*KrakenUniq version //; s/ .*\$//')
+        END_VERSIONS
+        """
+    }
 }
diff --git a/modules/nf-core/krakenuniq/preloadedkrakenuniq/meta.yml b/modules/nf-core/krakenuniq/preloadedkrakenuniq/meta.yml
index de788af..4ac645c 100644
--- a/modules/nf-core/krakenuniq/preloadedkrakenuniq/meta.yml
+++ b/modules/nf-core/krakenuniq/preloadedkrakenuniq/meta.yml
@@ -51,13 +51,13 @@ output:
       description: |
         Reads classified as belonging to any of the taxa
         on the KrakenUniq database.
-      pattern: "*{fastq.gz}"
+      pattern: "*.fastq.gz"
   - unclassified_reads_fastq:
       type: file
       description: |
         Reads not classified to any of the taxa
         on the KrakenUniq database.
-      pattern: "*{fastq.gz}"
+      pattern: "*.fastq.gz"
   - classified_assignment:
       type: file
       description: |
@@ -68,10 +68,11 @@ output:
       description: |
         KrakenUniq report containing stats about classified
         and not classifed reads.
-      pattern: "*.{report.txt}"
+      pattern: "*.report.txt"
   - versions:
       type: file
       description: File containing software versions
       pattern: "versions.yml"
 authors:
   - "@mjamy"
+  - "@Midnighter"

From 49af33f68ea7ab216db898adc24fe2489a8c2f03 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Tue, 29 Nov 2022 11:07:29 +0100
Subject: [PATCH 482/789] Include NCBI_id, read counts and mgc arguments in
 motus

---
 conf/modules.config    | 1 +
 conf/test_motus.config | 3 +++
 nextflow.config        | 3 +++
 3 files changed, 7 insertions(+)

diff --git a/conf/modules.config b/conf/modules.config
index f9d51d8..5c35525 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -446,6 +446,7 @@ process {
     }
 
     withName: MOTUS_PROFILE {
+        ext.args = { [ params.save_ncbi_id ? "-p" : "", params.save_read_counts ? "-c" : "", params.save_mgc_counts ?  "-M ${task.ext.prefix}.mgc" : "" ].join(',').replaceAll(','," ") }
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
             path: { "${params.outdir}/motus/${meta.db_name}/" },
diff --git a/conf/test_motus.config b/conf/test_motus.config
index d167b94..70681dd 100644
--- a/conf/test_motus.config
+++ b/conf/test_motus.config
@@ -39,5 +39,8 @@ params {
     run_centrifuge                        = false
     run_diamond                           = false
     run_motus                             = true
+    save_mgc_counts                       = true
+    save_ncbi_id                          = true
+    save_read_counts                      = true
     run_profile_standardisation           = true
 }
diff --git a/nextflow.config b/nextflow.config
index c59d433..91875b2 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -140,6 +140,9 @@ params {
 
     // mOTUs
     run_motus                  = false
+    save_mgc_counts            = false
+    save_ncbi_id               = false
+    save_read_counts           = false
 
     // krona
     run_krona                  = false

From 0235ef42ca0bf062648bd1b1f7bc18827c545a65 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Tue, 29 Nov 2022 11:15:40 +0100
Subject: [PATCH 483/789] Update nextflow_schema.json

---
 nextflow_schema.json | 69 ++++++++++++++++++++++++++++++++++++++------
 1 file changed, 60 insertions(+), 9 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index a66b0f1..5df56d8 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,7 +10,11 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["input", "databases", "outdir"],
+            "required": [
+                "input",
+                "databases",
+                "outdir"
+            ],
             "properties": {
                 "input": {
                     "type": "string",
@@ -80,7 +84,10 @@
                 "shortread_qc_tool": {
                     "type": "string",
                     "default": "fastp",
-                    "enum": ["fastp", "adapterremoval"],
+                    "enum": [
+                        "fastp",
+                        "adapterremoval"
+                    ],
                     "fa_icon": "fas fa-tools",
                     "description": "Specify which tool to use for short-read QC"
                 },
@@ -139,7 +146,11 @@
                 "shortread_complexityfilter_tool": {
                     "type": "string",
                     "default": "bbduk",
-                    "enum": ["bbduk", "prinseqplusplus", "fastp"],
+                    "enum": [
+                        "bbduk",
+                        "prinseqplusplus",
+                        "fastp"
+                    ],
                     "fa_icon": "fas fa-hammer",
                     "description": "Specify which tool to use for complexity filtering"
                 },
@@ -173,7 +184,10 @@
                 "shortread_complexityfilter_prinseqplusplus_mode": {
                     "type": "string",
                     "default": "entropy",
-                    "enum": ["entropy", "dust"],
+                    "enum": [
+                        "entropy",
+                        "dust"
+                    ],
                     "fa_icon": "fas fa-check-square",
                     "description": "Specify the complexity filter mode for PRINSEQ++"
                 },
@@ -347,7 +361,15 @@
                 "diamond_output_format": {
                     "type": "string",
                     "default": "tsv",
-                    "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"],
+                    "enum": [
+                        "blast",
+                        "xml",
+                        "txt",
+                        "daa",
+                        "sam",
+                        "tsv",
+                        "paf"
+                    ],
                     "fa_icon": "fas fa-file",
                     "description": "Specify output format from DIAMOND profiling.",
                     "help_text": "DIAMOND can produce output in a number of different formats, you can specify here which to produce.\n\nNote that DIAMOND can only produce one format at a time, and depending on which you pick, some downstream steps may not be executed. For example, selecting `daa` or `sam` will mean you will not get a tabular taxonomic profile as with the other tools.\n\nWill be overriden by `--diamond_save_reads.`\n\n> Modifies tool parameter(s):\n> - diamond blastx: `--outfmt`"
@@ -366,7 +388,14 @@
                 "kaiju_taxon_rank": {
                     "type": "string",
                     "default": "species",
-                    "enum": ["phylum", "class", "order", "family", "genus", "species"],
+                    "enum": [
+                        "phylum",
+                        "class",
+                        "order",
+                        "family",
+                        "genus",
+                        "species"
+                    ],
                     "fa_icon": "fas fa-tag",
                     "description": "Specify taxonomic rank to be displayed in Kaiju taxon table",
                     "help_text": "Specify the taxonomic level(s) to be displayed in the resulting Kaiju taxon table, as generated by the kaiju2table helper tool.\n\nThis can be either a single level (e.g. `species`), or a comma separated list to display the full taxonomic path (e.g. `superkingdom,phylum,class,order,family,genus,species.`).\n\n> Modifies tool parameter(s):\n> - kaiju2table: `-l`"
@@ -572,7 +601,14 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
+                    "enum": [
+                        "symlink",
+                        "rellink",
+                        "link",
+                        "copy",
+                        "copyNoFollow",
+                        "move"
+                    ],
                     "hidden": true
                 },
                 "email_on_fail": {
@@ -729,9 +765,24 @@
         "preprocessing_qc_tool": {
             "type": "string",
             "default": "fastqc",
-            "enum": ["fastqc", "falco"],
+            "enum": [
+                "fastqc",
+                "falco"
+            ],
             "help_text": "Falco is designed as a drop-in replacement for FastQC but written in C++ for faster computation. We particularly recommend using falco when using long reads (due to reduced memory constraints), however is also applicable for short reads.",
             "description": "Specify the tool used for quality control of raw sequencing reads"
+        },
+        "save_mgc_counts": {
+            "type": "string",
+            "description": "Save the mgc reads count in mOTUs."
+        },
+        "save_ncbi_id": {
+            "type": "string",
+            "description": "Print NCBI id in mOTUs."
+        },
+        "save_read_counts": {
+            "type": "string",
+            "description": "Print result as counts instead of relative abundances in mOTUs."
         }
     }
-}
+}
\ No newline at end of file

From 5254b8d679b64b903984c2d6e21fea9580efacca Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Tue, 29 Nov 2022 11:25:52 +0100
Subject: [PATCH 484/789] Prettier

---
 nextflow_schema.json | 1510 +++++++++++++++++++++---------------------
 1 file changed, 739 insertions(+), 771 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 5df56d8..58cab0c 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -1,788 +1,756 @@
 {
-    "$schema": "http://json-schema.org/draft-07/schema",
-    "$id": "https://raw.githubusercontent.com/nf-core/taxprofiler/master/nextflow_schema.json",
-    "title": "nf-core/taxprofiler pipeline parameters",
-    "description": "Taxonomic profiling of shotgun metagenomic data",
-    "type": "object",
-    "definitions": {
-        "input_output_options": {
-            "title": "Input/output options",
-            "type": "object",
-            "fa_icon": "fas fa-terminal",
-            "description": "Define where the pipeline should find input data and save output data.",
-            "required": [
-                "input",
-                "databases",
-                "outdir"
-            ],
-            "properties": {
-                "input": {
-                    "type": "string",
-                    "format": "file-path",
-                    "mimetype": "text/csv",
-                    "pattern": "^\\S+\\.(csv|yaml|yml)$",
-                    "schema": "assets/schema_input.json",
-                    "description": "Path to comma-separated file containing information about the samples and libraries/runs.",
-                    "help_text": "You will need to create a design file with information about the samples and libraries/runs you want to running in your pipeline run. Use this parameter to specify its location. It has to be a comma-separated file with 6 columns, and a header row. See [usage docs](https://nf-co.re/taxprofiler/usage#samplesheet-input).",
-                    "fa_icon": "fas fa-file-csv"
-                },
-                "databases": {
-                    "type": "string",
-                    "mimetype": "text/csv",
-                    "format": "file-path",
-                    "fa_icon": "fas fa-database",
-                    "description": "Path to comma-separated file containing information about databases and profiling parameters for each taxonomic profiler",
-                    "help_text": "You will need to create a design file with information about the samples in your experiment before running the pipeline. Use this parameter to specify its location. It has to be a comma-separated file with 4 columns, and a header row. See [usage docs](https://nf-co.re/taxprofiler/dev/usage#full-database-sheet).\n\nProfilers will only be executed if a corresponding  database are supplied. \n\nWe recommend storing this database sheet somewhere centrally and accessible by others members of your lab/institutions, as this file will likely be regularly reused."
-                },
-                "outdir": {
-                    "type": "string",
-                    "format": "directory-path",
-                    "description": "The output directory where the results will be saved. You have to use absolute paths to storage on Cloud infrastructure.",
-                    "fa_icon": "fas fa-folder-open"
-                },
-                "email": {
-                    "type": "string",
-                    "description": "Email address for completion summary.",
-                    "fa_icon": "fas fa-envelope",
-                    "help_text": "Set this parameter to your e-mail address to get a summary e-mail with details of the run sent to you when the workflow exits. If set in your user config file (`~/.nextflow/config`) then you don't need to specify this on the command line for every run.",
-                    "pattern": "^([a-zA-Z0-9_\\-\\.]+)@([a-zA-Z0-9_\\-\\.]+)\\.([a-zA-Z]{2,5})$"
-                },
-                "multiqc_title": {
-                    "type": "string",
-                    "description": "MultiQC report title. Printed as page header, used for filename if not otherwise specified.",
-                    "fa_icon": "fas fa-file-signature"
-                }
-            }
-        },
-        "preprocessing_general_qc_options": {
-            "title": "Preprocessing general QC options",
-            "type": "object",
-            "description": "Common options across both long and short read preprocessing QC steps",
-            "default": "",
-            "properties": {
-                "save_preprocessed_reads": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-save",
-                    "description": "Save reads from adapter clipping/pair-merging, length filtering for both short and long reads",
-                    "help_text": "This saves the FASTQ output from the following tools:\n\n- fastp\n- AdapterRemoval\n- Porechop\n- Filtlong\n\nThese reads will be a mixture of: adapter clipped, quality trimmed, pair-merged, and length filtered, depending on the parameters you set."
-                }
-            },
-            "fa_icon": "fas fa-users-cog"
-        },
-        "preprocessing_short_read_qc_options": {
-            "title": "Preprocessing short-read QC options",
-            "type": "object",
-            "description": "Options for adapter clipping, quality trimming, pair-merging, and complexity filtering",
-            "default": "",
-            "properties": {
-                "perform_shortread_qc": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turns on short read quality control steps (adapter clipping, complexity filtering etc.)",
-                    "help_text": "Turns on short read quality control steps (adapter clipping, complexity filtering etc.)\n\nThis subworkflow can perform:\n\n- Adapter removal\n- Read quality trimming\n- Read pair merging\n- Length filtering\n- Complexity filtering\n\nEither with fastp or AdapterRemoval.\n\nRemoving adapters (if present) is recommend to reduce false-postive hits that may occur from 'dirty' or 'contaminated' reference genomes in a profiling database that contain accidentially incorporated adapter sequences. Note that some, but not all, tools support paired-end alignment (utilising information about the insert covered by the pairs). However read pair merging in some cases can be recommend to increase read length (such as in aDNA). Length filtering, and/or complexity can speed up alignment by reducing the number of short unspecific reads that need to be aligned."
-                },
-                "shortread_qc_tool": {
-                    "type": "string",
-                    "default": "fastp",
-                    "enum": [
-                        "fastp",
-                        "adapterremoval"
-                    ],
-                    "fa_icon": "fas fa-tools",
-                    "description": "Specify which tool to use for short-read QC"
-                },
-                "shortread_qc_skipadaptertrim": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-forward",
-                    "description": "Skip adapter trimming",
-                    "help_text": "Skip the removal of sequencing adapters. \n\nThis often can be useful to speed up run-time of the pipeline when analysing data downloaded from public databases such as the ENA or SRA, as adapters should already be removed (however we recommend to check FastQC results to ensure this is the case)."
-                },
-                "shortread_qc_adapter1": {
-                    "type": "string",
-                    "default": "None",
-                    "fa_icon": "fas fa-grip-lines",
-                    "description": "Specify adapter 1 nucleotide sequence",
-                    "help_text": "Specify a custom forward or R1 adapter sequence to be removed from reads. \n\nIf not set, the selected short-read QC tool's defaults will be used.\n\n> Modifies tool parameter(s):\n> - fastp: `--adapter_sequence`. fastp default: `AGATCGGAAGAGCACACGTCTGAACTCCAGTCA`\n> - AdapterRemoval: `--adapter1`. AdapteRemoval2 default: `AGATCGGAAGAGCACACGTCTGAACTCCAGTCACNNNNNNATCTCGTATGCCGTCTTCTGCTTG`"
-                },
-                "shortread_qc_adapter2": {
-                    "type": "string",
-                    "default": "None",
-                    "fa_icon": "fas fa-grip-lines",
-                    "description": "Specify adapter 2 nucleotide sequence",
-                    "help_text": "Specify a custom reverse or R2 adapter sequence to be removed from reads. \n\nIf not set, the selected short-read QC tool's defaults will be used.\n\n> Modifies tool parameter(s):\n> - fastp: `--adapter_sequence`. fastp default: `AGATCGGAAGAGCGTCGTGTAGGGAAAGAGTGT`\n> - AdapterRemoval: `--adapter1`. AdapteRemoval2 default: `AGATCGGAAGAGCGTCGTGTAGGGAAAGAGTGTAGATCTCGGTGGTCGCCGTATCATT`"
-                },
-                "shortread_qc_adapterlist": {
-                    "type": "string",
-                    "default": "None",
-                    "description": "Specify a list of all possible adapters to trim. Overrides --shortread_qc_adapter1/2. Formats: .txt (AdapterRemoval) or .fasta. (fastp).",
-                    "help_text": "Allows to supply a file with a list of adapter (combinations) to remove from all files. \n\nOverrides the --shortread_qc_adapter1/--shortread_qc_adapter2 parameters . \n\nFor AdapterRemoval this consists of a two column table with a `.txt` extension: first column represents forward strand, second column for reverse strand. You must supply all possible combinations, one per line, and this list is applied to all files. See AdapterRemoval documentation for more information.\n\nFor fastp this consists of a standard FASTA format with a `.fasta`/`.fa`/`.fna`/`.fas` extension. The adapter sequence in this file should be at least 6bp long, otherwise it will be skipped. fastp trims the adapters present in the FASTA file one by one.\n\n> Modifies AdapterRemoval parameter: --adapter-list\n> Modifies fastp parameter: --adapter_fasta"
-                },
-                "shortread_qc_mergepairs": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on merging of read pairs for paired-end data",
-                    "default": true,
-                    "help_text": "Turn on the merging of read-pairs of paired-end short read sequencing data for AdapterRemoval (this is performed automatically with fastp).\n\n> Modifies tool parameter(s):\n> - AdapterRemoval: `--collapse`\n"
-                },
-                "shortread_qc_excludeunmerged": {
-                    "type": "boolean",
-                    "fa_icon": "far fa-times-circle",
-                    "description": "Discard unmerged reads from paired-end merging",
-                    "help_text": "Turns off the inclusion of unmerged reads in resulting processing FASTQ file of paired-end sequencing data when using `fastp`.\n\nThis can be useful in cases where you prefer to have very short reads (e.g. aDNA), thus excluding longer-reads or possibly faulty reads where one of the pair was discarded.\n\n> Modifies tool parameter(s):\n> - removed from reads `--include_unmerged`\n"
-                },
-                "shortread_qc_minlength": {
-                    "type": "integer",
-                    "default": 15,
-                    "fa_icon": "fas fa-ruler-horizontal",
-                    "description": "Specify the minimum length of reads to be retained",
-                    "help_text": "Specifying a mimum read length filtering can speed up profiling by reducing the number of short unspecific reads that need to be match/aligned to the database.\n\n> Modifies tool parameter(s):\n> - removed from reads `--length_required`\n> - AdapterRemoval: `--minlength`"
-                },
-                "perform_shortread_complexityfilter": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turns on nucleotide sequence complexity filtering",
-                    "help_text": "Turns on sequencing complexity filtering. Complexity filtering can be useful to increase run-time by removing unspecific read sequences that do not provide any informative taxon ID."
-                },
-                "shortread_complexityfilter_tool": {
-                    "type": "string",
-                    "default": "bbduk",
-                    "enum": [
-                        "bbduk",
-                        "prinseqplusplus",
-                        "fastp"
-                    ],
-                    "fa_icon": "fas fa-hammer",
-                    "description": "Specify which tool to use for complexity filtering"
-                },
-                "shortread_complexityfilter_entropy": {
-                    "type": "number",
-                    "default": 0.3,
-                    "fa_icon": "fas fa-random",
-                    "description": "Specify the minimum sequence entropy level for complexity filtering",
-                    "help_text": "Specify the minimum 'entropy' value for complexity filtering for BBDuk or PRINSEQ++.\n\nNote that this value will only be used for PRINSEQ++ if `--shortread_complexityfilter_prinseqplusplus_mode` is set to `entropy`.\n\nEntropy here corresponds to the amount of sequence variation exists within the read. Higher values correspond to more variety, and thus will likely reslut in more specific matching to a taxon's reference genome. The trade off here is fewer reads (or abundance information) available for having a confident identification.\n\n\n> Modifies tool parameter(s):\n> - BBDuk: `entropy=`\n> - PRINSEQ++:  `-lc_entropy`\n\n"
-                },
-                "shortread_complexityfilter_bbduk_windowsize": {
-                    "type": "integer",
-                    "default": 50,
-                    "fa_icon": "far fa-window-maximize",
-                    "description": "Specify the window size for BBDuk complexity filtering",
-                    "help_text": "Specify the window size to calculate the level entropy within for BBDuk.\n\n> Modifies tool parameter(s):\n> - BBDuk: `entropywindow=`"
-                },
-                "shortread_complexityfilter_bbduk_mask": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-mask",
-                    "description": "Turn on masking rather than discarding of low complexity reads for BBduk",
-                    "help_text": "Turn on masking of low-complexity reads (i.e., replacement with `N`) rather than removal.\n\n> Modifies tool parameter(s)\n> - BBDuk: `entropymask=`"
-                },
-                "shortread_complexityfilter_fastp_threshold": {
-                    "type": "integer",
-                    "default": 30,
-                    "fa_icon": "fas fa-sort-numeric-down",
-                    "description": "Specify the minimum complexity filter threshold of fastp",
-                    "help_text": "Specify the minimum sequence complexity value for fastp. This value corresponds to the percentage of bases that is different from it's adjacent bases.\n\n> Modifies tool parameter(s):\n> - removed from reads `--complexity_threshold`"
-                },
-                "shortread_complexityfilter_prinseqplusplus_mode": {
-                    "type": "string",
-                    "default": "entropy",
-                    "enum": [
-                        "entropy",
-                        "dust"
-                    ],
-                    "fa_icon": "fas fa-check-square",
-                    "description": "Specify the complexity filter mode for PRINSEQ++"
-                },
-                "shortread_complexityfilter_prinseqplusplus_dustscore": {
-                    "type": "number",
-                    "default": 0.5,
-                    "fa_icon": "fas fa-head-side-mask",
-                    "description": "Specify the minimum dust score for PRINTSEQ++ complexity filtering",
-                    "help_text": "Specify the minimum dust score below which low-complexity reads will be removed. A DUST score is based on how often different tri-nucleotides occur along a read.\n\n> Modifies tool parameter(s):\n> - PRINSEQ++: `--lc_dust`"
-                },
-                "save_complexityfiltered_reads": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-save",
-                    "description": "Save complexity filtered short-reads",
-                    "help_text": "Specify whether to save the final complexity filtered reads in your results directory (`--outdir`)."
-                }
-            },
-            "fa_icon": "fas fa-compress-alt"
-        },
-        "preprocessing_long_read_qc_options": {
-            "title": "Preprocessing long-read QC options",
-            "type": "object",
-            "description": "Options for adapter clipping, quality trimming, and length filtering",
-            "default": "",
-            "properties": {
-                "perform_longread_qc": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turns on long read quality control steps (adapter clipping, length filtering etc.)",
-                    "help_text": "Turns on long read quality control steps (adapter clipping, length and/or quality filtering.)\n\nRemoving adapters (if present) is recommend to reduce false-postive hits that may occur from 'dirty' or 'contaminated' reference genomes in a profiling database that contain accidentially incorporated adapter sequences.\n\nLength filtering, and quality filtering can speed up alignment by reducing the number of unspecific reads that need to be aligned."
-                },
-                "longread_qc_skipadaptertrim": {
-                    "type": "boolean",
-                    "description": "Skip long-read trimming",
-                    "fa_icon": "fas fa-forward",
-                    "help_text": "Skip removal of adapters by Porechop. This can be useful in some cases to speed up run time - particularly when you are running data downloading from public databases such as the ENA/SRA that should already have adapters removed. We recommend that you check your FastQC results this is indeed the case."
-                },
-                "longread_qc_skipqualityfilter": {
-                    "type": "boolean",
-                    "description": "Skip long-read length and quality filtering",
-                    "fa_icon": "fas fa-forward",
-                    "help_text": "Skip removal of quality filtering with Filtlong. This will skip length, percent reads, and target bases filtering (see other `--longread_qc_qualityfilter_*` parameters)."
-                },
-                "longread_qc_qualityfilter_minlength": {
-                    "type": "integer",
-                    "default": 1000,
-                    "description": "Specify the minimum length of reads to be retained",
-                    "fa_icon": "fas fa-ruler-horizontal",
-                    "help_text": "Specify the minimum of length of reads to be kept for downstream analysis.\n\n> Modifies tool parameter(s):\n> - Filtlong: `--min_length`"
-                },
-                "longread_qc_qualityfilter_keeppercent": {
-                    "type": "integer",
-                    "default": 90,
-                    "description": "Specify the percent of high-quality bases to be retained",
-                    "fa_icon": "fas fa-percentage",
-                    "help_text": "Throw out the remaining percentage of reads outside the value. This is measured by bp, not by read count. So this option throws out the worst e.g. 10% of read bases if the parameter is set to `90`.  _Modified from [Filtlong documentation](https://github.com/rrwick/Filtlong)_\n\n> Modifies tool parameter(s):\n> - Filtlong: `--keep_percent`"
-                },
-                "longread_qc_qualityfilter_targetbases": {
-                    "type": "integer",
-                    "default": 500000000,
-                    "description": "Specify the number of high-quality bases in the library to be retained",
-                    "fa_icon": "fas fa-bullseye",
-                    "help_text": "Removes the worst reads until only the specified value of bases remain, useful for very large read sets. If the input read set is less than the specified value, this setting will have no effect. _Modified from [Filtlong documentation](https://github.com/rrwick/Filtlong)_\n\n> Modifies tool parameter(s):\n> - Filtlong: `--keep_percent`"
-                }
-            },
-            "fa_icon": "fas fa-expand-alt"
-        },
-        "preprocessing_host_removal_options": {
-            "title": "Preprocessing host removal options",
-            "type": "object",
-            "description": "Options for pre-profiling host read removal",
-            "default": "",
-            "properties": {
-                "perform_shortread_hostremoval": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on short-read host removal",
-                    "help_text": "Turns on the ability to remove short-reads from the that derived from a known organism, using Bowtie2 and samtools\n\nThis subworkflow is useful to remove reads that may come from a host, or a known contamination like the human reference genome. Human DNA contamination of (microbial) reference genomes is well known, so removal of these prior profiling both reduces the risks of false positives, and in _some cases_ a faster runtime (as less reads need to be profiled).\n\nAlternatively, you can include the reference genome within your profiling databases and can turn off this subworkflow, with the trade off of a larger taxonomic profiling database."
-                },
-                "perform_longread_hostremoval": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on long-read host removal",
-                    "help_text": "Turns on the ability to remove long-reads from the that derived from a known organism, using minimap2 and samtools\n\nThis subworkflow is useful to remove reads that may come from a host, or a known contamination like the human reference genome. Human DNA contamination of (microbial) reference genomes is well known, so removal of these prior profiling both reduces the risks of false positives, and in _some cases_ a faster runtime (as less reads need to be profiled).\n\nAlternatively, you can include the reference genome within your profiling databases and can turn off this subworkflow, with the trade off of a larger taxonomic profiling database."
-                },
-                "hostremoval_reference": {
-                    "type": "string",
-                    "default": "None",
-                    "fa_icon": "fas fa-file-alt",
-                    "description": "Specify path to single reference FASTA of host(s) genome(s)",
-                    "help_text": "Specify a path to the FASTA file (optionally gzipped) of the reference genome of the organism to be removed.\n\nIf you have two or more host organisms or contaminants you wish to remove, you can concatenate the FASTAs of the different taxa into a single one to provide to the pipeline."
-                },
-                "shortread_hostremoval_index": {
-                    "type": "string",
-                    "default": "None",
-                    "fa_icon": "fas fa-address-book",
-                    "description": "Specify path to the directory containing pre-made BowTie2 indexes of the host removal reference",
-                    "help_text": "Specify the path to a _directory_ containing pre-made Bowtie2 reference index files (i.e. the directory containing `.bt1`, `.bt2` files etc.). These should sit in the same directory alongside the the reference file specified in `--hostremoval_reference`.\n\nSpecifying premade indices can speed up runtime of the host-removal step, however if not supplied the pipeline will generate the indices for you."
-                },
-                "longread_hostremoval_index": {
-                    "type": "string",
-                    "default": "None",
-                    "fa_icon": "fas fa-address-book",
-                    "description": "Specify path to a pre-made Minimap2 index file (.mmi) of the host removal reference",
-                    "help_text": "Specify path to a pre-made Minimap2 index file (.mmi) of the host removal reference file given to `--hostremoval_reference`.\n\nSpecifying a premade index file can speed up runtime of the host-removal step, however if not supplied the pipeline will generate the indices for you."
-                },
-                "save_hostremoval_index": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-save",
-                    "description": "Save mapping index of input reference when not already supplied by user",
-                    "help_text": "Save the output files of the in-built indexing of the host genome.\n\nThis is recommend to be turned on if you plan to use the same reference genome multiple times, as supplying the directory or file to `--shortread_hostremoval_index` or `--longread_hostremoval_index` respectively can speed up runtime of future runs. Once generated, we recommend you place this file _outside_ of your run results directory in a central 'cache' directory you and others using your machine can access and supply to the pipeline."
-                },
-                "save_hostremoval_mapped": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-save",
-                    "description": "Save mapped reads in BAM format from host removal",
-                    "help_text": "Save the reads mapped to the reference genome in BAM format as output by the respective hostremoval alignment tool.\n\nThis can be useful if you wish to perform other analyses on the host organism (such as host-microbe interaction), however, you should consider whether the default mapping parameters of Bowtie2 (short-read) or minimap2 (long-read) are optimised to your context. "
-                },
-                "save_hostremoval_unmapped": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-save",
-                    "description": "Save unmapped reads in FASTQ format from host removal",
-                    "help_text": "Save the unreads mapped to the reference genome in FASTQ format (as exported from `samtools view`).\n\nThis can be useful if you wish to perform other analyses on the off-target reads from the host mapping, such as manual profiling or _de novo_ assembly."
-                }
-            },
-            "fa_icon": "fas fa-user-times"
-        },
-        "preprocessing_run_merging_options": {
-            "title": "Preprocessing run merging options",
-            "type": "object",
-            "description": "Options for per-sample run-merging",
-            "default": "",
-            "properties": {
-                "perform_runmerging": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on run merging",
-                    "help_text": "Turns on the concatenation of sequencing runs or libraries with the same sample name.\n\nThis can be useful to ensure you get a single profile per sample, rather than one profile per run or library. Note that in some cases comparing profiles of independent _libraries_ may be useful, so this parameter may not always be suitable.  "
-                },
-                "save_runmerged_reads": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-save",
-                    "description": "Save run-concatenated input FASTQ files for each sample",
-                    "help_text": "Save the run- and library-concatenated reads of a given sample in FASTQ format."
-                }
-            },
-            "fa_icon": "fas fa-clipboard-check"
-        },
-        "profiling_options": {
-            "title": "Profiling options",
-            "type": "object",
-            "description": "",
-            "default": "",
-            "properties": {
-                "run_centrifuge": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on profiling with Centrifuge. Requires database to be present CSV file passed to --databases"
-                },
-                "centrifuge_save_reads": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-save",
-                    "description": "Turn on saving of Centrifuge-aligned reads",
-                    "help_text": "Save mapped (SAM, FASTQ) and unmapped (FASTQ) reads from alignment step of centrifuge in your output results directory.\n\n> Modifies tool parameter(s):\n> - centrifuge: `--un-gz`, `--al-gz`, `--un-conc-gz`, `--al-conc-gz`, `--out-fmt`"
-                },
-                "run_diamond": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on profiling with DIAMOND. Requires database to be present CSV file passed to --databases"
-                },
-                "diamond_output_format": {
-                    "type": "string",
-                    "default": "tsv",
-                    "enum": [
-                        "blast",
-                        "xml",
-                        "txt",
-                        "daa",
-                        "sam",
-                        "tsv",
-                        "paf"
-                    ],
-                    "fa_icon": "fas fa-file",
-                    "description": "Specify output format from DIAMOND profiling.",
-                    "help_text": "DIAMOND can produce output in a number of different formats, you can specify here which to produce.\n\nNote that DIAMOND can only produce one format at a time, and depending on which you pick, some downstream steps may not be executed. For example, selecting `daa` or `sam` will mean you will not get a tabular taxonomic profile as with the other tools.\n\nWill be overriden by `--diamond_save_reads.`\n\n> Modifies tool parameter(s):\n> - diamond blastx: `--outfmt`"
-                },
-                "diamond_save_reads": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-save",
-                    "description": "Turn on saving of DIAMOND-aligned reads. Will override --diamond_output_format and no taxon tables will be generated",
-                    "help_text": "Save aligned reads in SAM format from alignment step of DIAMOND in your output results directory.\n\nNote this explicitly overrides `--diamond_output_format` to produce the SAM file, and no taxon table will be generated.\n\n> Modifies tool parameter(s):\n> - DIAMOND: `--outfmt`"
-                },
-                "run_kaiju": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on profiling with Kaiju. Requires database to be present CSV file passed to --databases"
-                },
-                "kaiju_taxon_rank": {
-                    "type": "string",
-                    "default": "species",
-                    "enum": [
-                        "phylum",
-                        "class",
-                        "order",
-                        "family",
-                        "genus",
-                        "species"
-                    ],
-                    "fa_icon": "fas fa-tag",
-                    "description": "Specify taxonomic rank to be displayed in Kaiju taxon table",
-                    "help_text": "Specify the taxonomic level(s) to be displayed in the resulting Kaiju taxon table, as generated by the kaiju2table helper tool.\n\nThis can be either a single level (e.g. `species`), or a comma separated list to display the full taxonomic path (e.g. `superkingdom,phylum,class,order,family,genus,species.`).\n\n> Modifies tool parameter(s):\n> - kaiju2table: `-l`"
-                },
-                "run_kraken2": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on profiling with Kraken2. Requires database to be present CSV file passed to --databases"
-                },
-                "kraken2_save_reads": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-save",
-                    "description": "Turn on saving of Kraken2-aligned reads",
-                    "help_text": "Save reads that do and do not have a taxonomic classification in your output results directory in FASTQ format.\n\n> Modifies tool parameter(s):\n> - kraken2: `--classified-out` and `--unclassified-out`"
-                },
-                "kraken2_save_readclassification": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-save",
-                    "description": "Turn on saving of Kraken2 per-read taxonomic assignment file",
-                    "help_text": "Save a text file that contains a list of each read that had a taxonomic assignment, with information on specific taxonomic taxonomic assignment that that read recieved.\n\n> Modifies tool parameter(s):\n> - kraken2: `--output`"
-                },
-                "kraken2_save_minimizers": {
-                    "type": "boolean",
-                    "description": "Turn on saving minimizer information in the kraken2 report thus increasing to an eight column layout.",
-                    "fa_icon": "fas fa-save",
-                    "help_text": "Turn on saving minimizer information in the kraken2 report thus increasing to an eight column layout.\n\nAdds `--report-minimizer-data` to the kraken2 command."
-                },
-                "run_bracken": {
-                    "type": "boolean",
-                    "description": "Post-process kraken2 reports with Bracken.",
-                    "fa_icon": "fas fa-toggle-on"
-                },
-                "run_malt": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on profiling with MALT. Requires database to be present CSV file passed to --databases"
-                },
-                "malt_mode": {
-                    "type": "string",
-                    "default": "BlastN",
-                    "fa_icon": "fas fa-check-square",
-                    "description": "Specify which MALT alignment mode to use",
-                    "help_text": "Specify which version of MALT alignment to use.\n\nBlastN is generally recommended (nucleotide-nucleotide alignment), but particularly for very short reads (such as aDNA), whereas BlastX mode is similar to DIAMOND and will translate the nucleotide to amino acid sequences. Note each type of alignment mode requires different parameters during database construction. Refer to the MALT manual for more information.\n\n> Modifies tool parameter(s):\n> - malt-run: `-mode` "
-                },
-                "malt_save_reads": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-save",
-                    "description": "Turn on saving of MALT-aligned reads",
-                    "help_text": "Turns on saving of MALT aligned reads in SAM format.\n\nNote that the SAM format produce by MALT is not completely valid, and may not work with downstream tools.\n\n> Modifies tool parameter(s):\n> - malt-run: `--alignments`, `-za`"
-                },
-                "malt_generate_megansummary": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-save",
-                    "description": "Turn on generation of MEGAN summary file from MALT results",
-                    "help_text": "Turns on saving of MALT output in an additional MEGAN summary file (`.megan`) that can be loaded into the MEGAN metagenomic exploration tool.\n\nNote: this file is generated not directly from MALT but rather then MEGAN utility script `rma2info`.\n\n> Modifies tool parameter(s):\n> - rma2info: `-es`"
-                },
-                "run_metaphlan3": {
-                    "type": "boolean",
-                    "description": "Turn on profiling with MetaPhlAn3. Requires database to be present CSV file passed to --databases",
-                    "fa_icon": "fas fa-toggle-on"
-                },
-                "run_motus": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on profiling with mOTUs. Requires database to be present CSV file passed to --databases"
-                }
-            },
-            "fa_icon": "fas fa-align-center"
-        },
-        "postprocessing_and_visualisation_options": {
-            "title": "Postprocessing and visualisation options",
-            "type": "object",
-            "description": "",
-            "default": "",
-            "properties": {
-                "run_profile_standardisation": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on standardisation of taxon tables across profilers",
-                    "help_text": "Turns on standardisation of output OTU tables across all tools; each into a TSV format following the following scheme:\n\n|TAXON   | SAMPLE_A | SAMPLE_B |\n|-------------|----------------|-----------------|\n| taxon_a | 32               | 123             |\n| taxon_b | 1                 | 5                 |\n\nThis currently only is generated for mOTUs."
-                },
-                "generate_biom_output": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on generation of BIOM output (currently only applies to mOTUs)",
-                    "help_text": "Turn on the saving of the taxonomic output in BIOM format (`.biom`) in the results directory of your pipeline run, instead of the default TSV format.\n\nNote this file is from the output of the `motus merge` command.\n\n> Modifies tool parameter(s):\n> - `-B -o`"
-                },
-                "run_krona": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on generation of Krona plots for supported profilers",
-                    "help_text": "Turn on the generation of Krona interactive pie-chart HTMLs for a selection of profilers.\n\nThe tools currently supported are:\n\n- centrifuge\n- kraken2\n- kaiju\n- MALT"
-                },
-                "krona_taxonomy_directory": {
-                    "type": "string",
-                    "default": "None",
-                    "fa_icon": "fas fa-folder-open",
-                    "description": "Specify path to krona taxonomy directories (required for MALT krona plots)",
-                    "help_text": "Specify a path to a Krona taxonomy database directory (i.e. a directory containing a krona generated `.tab` file).\n\nThis is only required for generating Krona plots of MALT output.\n\nNote this taxonomy database must be downloaded and generated with the `updateTaxonomy.sh` script from the krona-tools package."
-                }
-            },
-            "fa_icon": "fas fa-chart-line"
-        },
-        "institutional_config_options": {
-            "title": "Institutional config options",
-            "type": "object",
-            "fa_icon": "fas fa-university",
-            "description": "Parameters used to describe centralised config profiles. These should not be edited.",
-            "help_text": "The centralised nf-core configuration profiles use a handful of pipeline parameters to describe themselves. This information is then printed to the Nextflow log when you run a pipeline. You should not need to change these values when you run a pipeline.",
-            "properties": {
-                "custom_config_version": {
-                    "type": "string",
-                    "description": "Git commit id for Institutional configs.",
-                    "default": "master",
-                    "hidden": true,
-                    "fa_icon": "fas fa-users-cog"
-                },
-                "custom_config_base": {
-                    "type": "string",
-                    "description": "Base directory for Institutional configs.",
-                    "default": "https://raw.githubusercontent.com/nf-core/configs/master",
-                    "hidden": true,
-                    "help_text": "If you're running offline, Nextflow will not be able to fetch the institutional config files from the internet. If you don't need them, then this is not a problem. If you do need them, you should download the files from the repo and tell Nextflow where to find them with this parameter.",
-                    "fa_icon": "fas fa-users-cog"
-                },
-                "config_profile_name": {
-                    "type": "string",
-                    "description": "Institutional config name.",
-                    "hidden": true,
-                    "fa_icon": "fas fa-users-cog"
-                },
-                "config_profile_description": {
-                    "type": "string",
-                    "description": "Institutional config description.",
-                    "hidden": true,
-                    "fa_icon": "fas fa-users-cog"
-                },
-                "config_profile_contact": {
-                    "type": "string",
-                    "description": "Institutional config contact information.",
-                    "hidden": true,
-                    "fa_icon": "fas fa-users-cog"
-                },
-                "config_profile_url": {
-                    "type": "string",
-                    "description": "Institutional config URL link.",
-                    "hidden": true,
-                    "fa_icon": "fas fa-users-cog"
-                }
-            }
-        },
-        "max_job_request_options": {
-            "title": "Max job request options",
-            "type": "object",
-            "fa_icon": "fab fa-acquisitions-incorporated",
-            "description": "Set the top limit for requested resources for any single job.",
-            "help_text": "If you are running on a smaller system, a pipeline step requesting more resources than are available may cause the Nextflow to stop the run with an error. These options allow you to cap the maximum resources requested by any single job so that the pipeline will run on your system.\n\nNote that you can not _increase_ the resources requested by any job using these options. For that you will need your own configuration file. See [the nf-core website](https://nf-co.re/usage/configuration) for details.",
-            "properties": {
-                "max_cpus": {
-                    "type": "integer",
-                    "description": "Maximum number of CPUs that can be requested for any single job.",
-                    "default": 16,
-                    "fa_icon": "fas fa-microchip",
-                    "hidden": true,
-                    "help_text": "Use to set an upper-limit for the CPU requirement for each process. Should be an integer e.g. `--max_cpus 1`"
-                },
-                "max_memory": {
-                    "type": "string",
-                    "description": "Maximum amount of memory that can be requested for any single job.",
-                    "default": "128.GB",
-                    "fa_icon": "fas fa-memory",
-                    "pattern": "^\\d+(\\.\\d+)?\\.?\\s*(K|M|G|T)?B$",
-                    "hidden": true,
-                    "help_text": "Use to set an upper-limit for the memory requirement for each process. Should be a string in the format integer-unit e.g. `--max_memory '8.GB'`"
-                },
-                "max_time": {
-                    "type": "string",
-                    "description": "Maximum amount of time that can be requested for any single job.",
-                    "default": "240.h",
-                    "fa_icon": "far fa-clock",
-                    "pattern": "^(\\d+\\.?\\s*(s|m|h|day)\\s*)+$",
-                    "hidden": true,
-                    "help_text": "Use to set an upper-limit for the time requirement for each process. Should be a string in the format integer-unit e.g. `--max_time '2.h'`"
-                }
-            }
-        },
-        "generic_options": {
-            "title": "Generic options",
-            "type": "object",
-            "fa_icon": "fas fa-file-import",
-            "description": "Less common options for the pipeline, typically set in a config file.",
-            "help_text": "These options are common to all nf-core pipelines and allow you to customise some of the core preferences for how the pipeline runs.\n\nTypically these options would be set in a Nextflow config file loaded for all pipeline runs, such as `~/.nextflow/config`.",
-            "properties": {
-                "help": {
-                    "type": "boolean",
-                    "description": "Display help text.",
-                    "fa_icon": "fas fa-question-circle",
-                    "hidden": true
-                },
-                "publish_dir_mode": {
-                    "type": "string",
-                    "default": "copy",
-                    "description": "Method used to save pipeline results to output directory.",
-                    "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
-                    "fa_icon": "fas fa-copy",
-                    "enum": [
-                        "symlink",
-                        "rellink",
-                        "link",
-                        "copy",
-                        "copyNoFollow",
-                        "move"
-                    ],
-                    "hidden": true
-                },
-                "email_on_fail": {
-                    "type": "string",
-                    "description": "Email address for completion summary, only when pipeline fails.",
-                    "fa_icon": "fas fa-exclamation-triangle",
-                    "pattern": "^([a-zA-Z0-9_\\-\\.]+)@([a-zA-Z0-9_\\-\\.]+)\\.([a-zA-Z]{2,5})$",
-                    "help_text": "An email address to send a summary email to when the pipeline is completed - ONLY sent if the pipeline does not exit successfully.",
-                    "hidden": true
-                },
-                "plaintext_email": {
-                    "type": "boolean",
-                    "description": "Send plain-text email instead of HTML.",
-                    "fa_icon": "fas fa-remove-format",
-                    "hidden": true
-                },
-                "max_multiqc_email_size": {
-                    "type": "string",
-                    "description": "File size limit when attaching MultiQC reports to summary emails.",
-                    "pattern": "^\\d+(\\.\\d+)?\\.?\\s*(K|M|G|T)?B$",
-                    "default": "25.MB",
-                    "fa_icon": "fas fa-file-upload",
-                    "hidden": true
-                },
-                "monochrome_logs": {
-                    "type": "boolean",
-                    "description": "Do not use coloured log outputs.",
-                    "fa_icon": "fas fa-palette",
-                    "hidden": true
-                },
-                "hook_url": {
-                    "type": "string",
-                    "description": "Incoming hook URL for messaging service",
-                    "fa_icon": "fas fa-people-group",
-                    "help_text": "Incoming hook URL for messaging service. Currently, only MS Teams is supported.",
-                    "hidden": true
-                },
-                "multiqc_config": {
-                    "type": "string",
-                    "description": "Custom config file to supply to MultiQC.",
-                    "fa_icon": "fas fa-cog",
-                    "hidden": true
-                },
-                "multiqc_logo": {
-                    "type": "string",
-                    "description": "Custom logo file to supply to MultiQC. File name must also be set in the MultiQC config file",
-                    "fa_icon": "fas fa-image",
-                    "hidden": true
-                },
-                "multiqc_methods_description": {
-                    "type": "string",
-                    "description": "Custom MultiQC yaml file containing HTML including a methods description.",
-                    "fa_icon": "fas fa-cog"
-                },
-                "tracedir": {
-                    "type": "string",
-                    "description": "Directory to keep pipeline Nextflow logs and reports.",
-                    "default": "${params.outdir}/pipeline_info",
-                    "fa_icon": "fas fa-cogs",
-                    "hidden": true
-                },
-                "validate_params": {
-                    "type": "boolean",
-                    "description": "Boolean whether to validate parameters against the schema at runtime",
-                    "default": true,
-                    "fa_icon": "fas fa-check-square",
-                    "hidden": true
-                },
-                "show_hidden_params": {
-                    "type": "boolean",
-                    "fa_icon": "far fa-eye-slash",
-                    "description": "Show all params when using `--help`",
-                    "hidden": true,
-                    "help_text": "By default, parameters set as _hidden_ in the schema are not shown on the command line when a user runs with `--help`. Specifying this option will tell the pipeline to show all parameters."
-                },
-                "enable_conda": {
-                    "type": "boolean",
-                    "description": "Run this workflow with Conda. You can also use '-profile conda' instead of providing this parameter.",
-                    "hidden": true,
-                    "fa_icon": "fas fa-bacon"
-                }
-            }
-        },
-        "reference_genome_options": {
-            "title": "Reference genome options",
-            "type": "object",
-            "fa_icon": "fas fa-dna",
-            "description": "Reference genome related files and options required for the workflow.",
-            "properties": {
-                "genome": {
-                    "type": "string",
-                    "description": "Name of iGenomes reference.",
-                    "fa_icon": "fas fa-book",
-                    "help_text": "If using a reference genome configured in the pipeline using iGenomes, use this parameter to give the ID for the reference. This is then used to build the full paths for all required reference genome files e.g. `--genome GRCh38`. \n\nSee the [nf-core website docs](https://nf-co.re/usage/reference_genomes) for more details.",
-                    "hidden": true
-                },
-                "igenomes_base": {
-                    "type": "string",
-                    "format": "directory-path",
-                    "description": "Directory / URL base for iGenomes references.",
-                    "default": "s3://ngi-igenomes/igenomes",
-                    "fa_icon": "fas fa-cloud-download-alt",
-                    "hidden": true
-                },
-                "igenomes_ignore": {
-                    "type": "boolean",
-                    "description": "Do not load the iGenomes reference config.",
-                    "fa_icon": "fas fa-ban",
-                    "hidden": true,
-                    "help_text": "Do not load `igenomes.config` when running the pipeline. You may choose this option if you observe clashes between custom parameters and those supplied in `igenomes.config`."
-                }
-            }
+  "$schema": "http://json-schema.org/draft-07/schema",
+  "$id": "https://raw.githubusercontent.com/nf-core/taxprofiler/master/nextflow_schema.json",
+  "title": "nf-core/taxprofiler pipeline parameters",
+  "description": "Taxonomic profiling of shotgun metagenomic data",
+  "type": "object",
+  "definitions": {
+    "input_output_options": {
+      "title": "Input/output options",
+      "type": "object",
+      "fa_icon": "fas fa-terminal",
+      "description": "Define where the pipeline should find input data and save output data.",
+      "required": ["input", "databases", "outdir"],
+      "properties": {
+        "input": {
+          "type": "string",
+          "format": "file-path",
+          "mimetype": "text/csv",
+          "pattern": "^\\S+\\.(csv|yaml|yml)$",
+          "schema": "assets/schema_input.json",
+          "description": "Path to comma-separated file containing information about the samples and libraries/runs.",
+          "help_text": "You will need to create a design file with information about the samples and libraries/runs you want to running in your pipeline run. Use this parameter to specify its location. It has to be a comma-separated file with 6 columns, and a header row. See [usage docs](https://nf-co.re/taxprofiler/usage#samplesheet-input).",
+          "fa_icon": "fas fa-file-csv"
+        },
+        "databases": {
+          "type": "string",
+          "mimetype": "text/csv",
+          "format": "file-path",
+          "fa_icon": "fas fa-database",
+          "description": "Path to comma-separated file containing information about databases and profiling parameters for each taxonomic profiler",
+          "help_text": "You will need to create a design file with information about the samples in your experiment before running the pipeline. Use this parameter to specify its location. It has to be a comma-separated file with 4 columns, and a header row. See [usage docs](https://nf-co.re/taxprofiler/dev/usage#full-database-sheet).\n\nProfilers will only be executed if a corresponding  database are supplied. \n\nWe recommend storing this database sheet somewhere centrally and accessible by others members of your lab/institutions, as this file will likely be regularly reused."
+        },
+        "outdir": {
+          "type": "string",
+          "format": "directory-path",
+          "description": "The output directory where the results will be saved. You have to use absolute paths to storage on Cloud infrastructure.",
+          "fa_icon": "fas fa-folder-open"
+        },
+        "email": {
+          "type": "string",
+          "description": "Email address for completion summary.",
+          "fa_icon": "fas fa-envelope",
+          "help_text": "Set this parameter to your e-mail address to get a summary e-mail with details of the run sent to you when the workflow exits. If set in your user config file (`~/.nextflow/config`) then you don't need to specify this on the command line for every run.",
+          "pattern": "^([a-zA-Z0-9_\\-\\.]+)@([a-zA-Z0-9_\\-\\.]+)\\.([a-zA-Z]{2,5})$"
+        },
+        "multiqc_title": {
+          "type": "string",
+          "description": "MultiQC report title. Printed as page header, used for filename if not otherwise specified.",
+          "fa_icon": "fas fa-file-signature"
+        }
+      }
+    },
+    "preprocessing_general_qc_options": {
+      "title": "Preprocessing general QC options",
+      "type": "object",
+      "description": "Common options across both long and short read preprocessing QC steps",
+      "default": "",
+      "properties": {
+        "save_preprocessed_reads": {
+          "type": "boolean",
+          "fa_icon": "fas fa-save",
+          "description": "Save reads from adapter clipping/pair-merging, length filtering for both short and long reads",
+          "help_text": "This saves the FASTQ output from the following tools:\n\n- fastp\n- AdapterRemoval\n- Porechop\n- Filtlong\n\nThese reads will be a mixture of: adapter clipped, quality trimmed, pair-merged, and length filtered, depending on the parameters you set."
+        }
+      },
+      "fa_icon": "fas fa-users-cog"
+    },
+    "preprocessing_short_read_qc_options": {
+      "title": "Preprocessing short-read QC options",
+      "type": "object",
+      "description": "Options for adapter clipping, quality trimming, pair-merging, and complexity filtering",
+      "default": "",
+      "properties": {
+        "perform_shortread_qc": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turns on short read quality control steps (adapter clipping, complexity filtering etc.)",
+          "help_text": "Turns on short read quality control steps (adapter clipping, complexity filtering etc.)\n\nThis subworkflow can perform:\n\n- Adapter removal\n- Read quality trimming\n- Read pair merging\n- Length filtering\n- Complexity filtering\n\nEither with fastp or AdapterRemoval.\n\nRemoving adapters (if present) is recommend to reduce false-postive hits that may occur from 'dirty' or 'contaminated' reference genomes in a profiling database that contain accidentially incorporated adapter sequences. Note that some, but not all, tools support paired-end alignment (utilising information about the insert covered by the pairs). However read pair merging in some cases can be recommend to increase read length (such as in aDNA). Length filtering, and/or complexity can speed up alignment by reducing the number of short unspecific reads that need to be aligned."
+        },
+        "shortread_qc_tool": {
+          "type": "string",
+          "default": "fastp",
+          "enum": ["fastp", "adapterremoval"],
+          "fa_icon": "fas fa-tools",
+          "description": "Specify which tool to use for short-read QC"
+        },
+        "shortread_qc_skipadaptertrim": {
+          "type": "boolean",
+          "fa_icon": "fas fa-forward",
+          "description": "Skip adapter trimming",
+          "help_text": "Skip the removal of sequencing adapters. \n\nThis often can be useful to speed up run-time of the pipeline when analysing data downloaded from public databases such as the ENA or SRA, as adapters should already be removed (however we recommend to check FastQC results to ensure this is the case)."
+        },
+        "shortread_qc_adapter1": {
+          "type": "string",
+          "default": "None",
+          "fa_icon": "fas fa-grip-lines",
+          "description": "Specify adapter 1 nucleotide sequence",
+          "help_text": "Specify a custom forward or R1 adapter sequence to be removed from reads. \n\nIf not set, the selected short-read QC tool's defaults will be used.\n\n> Modifies tool parameter(s):\n> - fastp: `--adapter_sequence`. fastp default: `AGATCGGAAGAGCACACGTCTGAACTCCAGTCA`\n> - AdapterRemoval: `--adapter1`. AdapteRemoval2 default: `AGATCGGAAGAGCACACGTCTGAACTCCAGTCACNNNNNNATCTCGTATGCCGTCTTCTGCTTG`"
+        },
+        "shortread_qc_adapter2": {
+          "type": "string",
+          "default": "None",
+          "fa_icon": "fas fa-grip-lines",
+          "description": "Specify adapter 2 nucleotide sequence",
+          "help_text": "Specify a custom reverse or R2 adapter sequence to be removed from reads. \n\nIf not set, the selected short-read QC tool's defaults will be used.\n\n> Modifies tool parameter(s):\n> - fastp: `--adapter_sequence`. fastp default: `AGATCGGAAGAGCGTCGTGTAGGGAAAGAGTGT`\n> - AdapterRemoval: `--adapter1`. AdapteRemoval2 default: `AGATCGGAAGAGCGTCGTGTAGGGAAAGAGTGTAGATCTCGGTGGTCGCCGTATCATT`"
+        },
+        "shortread_qc_adapterlist": {
+          "type": "string",
+          "default": "None",
+          "description": "Specify a list of all possible adapters to trim. Overrides --shortread_qc_adapter1/2. Formats: .txt (AdapterRemoval) or .fasta. (fastp).",
+          "help_text": "Allows to supply a file with a list of adapter (combinations) to remove from all files. \n\nOverrides the --shortread_qc_adapter1/--shortread_qc_adapter2 parameters . \n\nFor AdapterRemoval this consists of a two column table with a `.txt` extension: first column represents forward strand, second column for reverse strand. You must supply all possible combinations, one per line, and this list is applied to all files. See AdapterRemoval documentation for more information.\n\nFor fastp this consists of a standard FASTA format with a `.fasta`/`.fa`/`.fna`/`.fas` extension. The adapter sequence in this file should be at least 6bp long, otherwise it will be skipped. fastp trims the adapters present in the FASTA file one by one.\n\n> Modifies AdapterRemoval parameter: --adapter-list\n> Modifies fastp parameter: --adapter_fasta"
+        },
+        "shortread_qc_mergepairs": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turn on merging of read pairs for paired-end data",
+          "default": true,
+          "help_text": "Turn on the merging of read-pairs of paired-end short read sequencing data for AdapterRemoval (this is performed automatically with fastp).\n\n> Modifies tool parameter(s):\n> - AdapterRemoval: `--collapse`\n"
+        },
+        "shortread_qc_excludeunmerged": {
+          "type": "boolean",
+          "fa_icon": "far fa-times-circle",
+          "description": "Discard unmerged reads from paired-end merging",
+          "help_text": "Turns off the inclusion of unmerged reads in resulting processing FASTQ file of paired-end sequencing data when using `fastp`.\n\nThis can be useful in cases where you prefer to have very short reads (e.g. aDNA), thus excluding longer-reads or possibly faulty reads where one of the pair was discarded.\n\n> Modifies tool parameter(s):\n> - removed from reads `--include_unmerged`\n"
+        },
+        "shortread_qc_minlength": {
+          "type": "integer",
+          "default": 15,
+          "fa_icon": "fas fa-ruler-horizontal",
+          "description": "Specify the minimum length of reads to be retained",
+          "help_text": "Specifying a mimum read length filtering can speed up profiling by reducing the number of short unspecific reads that need to be match/aligned to the database.\n\n> Modifies tool parameter(s):\n> - removed from reads `--length_required`\n> - AdapterRemoval: `--minlength`"
+        },
+        "perform_shortread_complexityfilter": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turns on nucleotide sequence complexity filtering",
+          "help_text": "Turns on sequencing complexity filtering. Complexity filtering can be useful to increase run-time by removing unspecific read sequences that do not provide any informative taxon ID."
+        },
+        "shortread_complexityfilter_tool": {
+          "type": "string",
+          "default": "bbduk",
+          "enum": ["bbduk", "prinseqplusplus", "fastp"],
+          "fa_icon": "fas fa-hammer",
+          "description": "Specify which tool to use for complexity filtering"
+        },
+        "shortread_complexityfilter_entropy": {
+          "type": "number",
+          "default": 0.3,
+          "fa_icon": "fas fa-random",
+          "description": "Specify the minimum sequence entropy level for complexity filtering",
+          "help_text": "Specify the minimum 'entropy' value for complexity filtering for BBDuk or PRINSEQ++.\n\nNote that this value will only be used for PRINSEQ++ if `--shortread_complexityfilter_prinseqplusplus_mode` is set to `entropy`.\n\nEntropy here corresponds to the amount of sequence variation exists within the read. Higher values correspond to more variety, and thus will likely reslut in more specific matching to a taxon's reference genome. The trade off here is fewer reads (or abundance information) available for having a confident identification.\n\n\n> Modifies tool parameter(s):\n> - BBDuk: `entropy=`\n> - PRINSEQ++:  `-lc_entropy`\n\n"
+        },
+        "shortread_complexityfilter_bbduk_windowsize": {
+          "type": "integer",
+          "default": 50,
+          "fa_icon": "far fa-window-maximize",
+          "description": "Specify the window size for BBDuk complexity filtering",
+          "help_text": "Specify the window size to calculate the level entropy within for BBDuk.\n\n> Modifies tool parameter(s):\n> - BBDuk: `entropywindow=`"
+        },
+        "shortread_complexityfilter_bbduk_mask": {
+          "type": "boolean",
+          "fa_icon": "fas fa-mask",
+          "description": "Turn on masking rather than discarding of low complexity reads for BBduk",
+          "help_text": "Turn on masking of low-complexity reads (i.e., replacement with `N`) rather than removal.\n\n> Modifies tool parameter(s)\n> - BBDuk: `entropymask=`"
+        },
+        "shortread_complexityfilter_fastp_threshold": {
+          "type": "integer",
+          "default": 30,
+          "fa_icon": "fas fa-sort-numeric-down",
+          "description": "Specify the minimum complexity filter threshold of fastp",
+          "help_text": "Specify the minimum sequence complexity value for fastp. This value corresponds to the percentage of bases that is different from it's adjacent bases.\n\n> Modifies tool parameter(s):\n> - removed from reads `--complexity_threshold`"
+        },
+        "shortread_complexityfilter_prinseqplusplus_mode": {
+          "type": "string",
+          "default": "entropy",
+          "enum": ["entropy", "dust"],
+          "fa_icon": "fas fa-check-square",
+          "description": "Specify the complexity filter mode for PRINSEQ++"
+        },
+        "shortread_complexityfilter_prinseqplusplus_dustscore": {
+          "type": "number",
+          "default": 0.5,
+          "fa_icon": "fas fa-head-side-mask",
+          "description": "Specify the minimum dust score for PRINTSEQ++ complexity filtering",
+          "help_text": "Specify the minimum dust score below which low-complexity reads will be removed. A DUST score is based on how often different tri-nucleotides occur along a read.\n\n> Modifies tool parameter(s):\n> - PRINSEQ++: `--lc_dust`"
+        },
+        "save_complexityfiltered_reads": {
+          "type": "boolean",
+          "fa_icon": "fas fa-save",
+          "description": "Save complexity filtered short-reads",
+          "help_text": "Specify whether to save the final complexity filtered reads in your results directory (`--outdir`)."
+        }
+      },
+      "fa_icon": "fas fa-compress-alt"
+    },
+    "preprocessing_long_read_qc_options": {
+      "title": "Preprocessing long-read QC options",
+      "type": "object",
+      "description": "Options for adapter clipping, quality trimming, and length filtering",
+      "default": "",
+      "properties": {
+        "perform_longread_qc": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turns on long read quality control steps (adapter clipping, length filtering etc.)",
+          "help_text": "Turns on long read quality control steps (adapter clipping, length and/or quality filtering.)\n\nRemoving adapters (if present) is recommend to reduce false-postive hits that may occur from 'dirty' or 'contaminated' reference genomes in a profiling database that contain accidentially incorporated adapter sequences.\n\nLength filtering, and quality filtering can speed up alignment by reducing the number of unspecific reads that need to be aligned."
+        },
+        "longread_qc_skipadaptertrim": {
+          "type": "boolean",
+          "description": "Skip long-read trimming",
+          "fa_icon": "fas fa-forward",
+          "help_text": "Skip removal of adapters by Porechop. This can be useful in some cases to speed up run time - particularly when you are running data downloading from public databases such as the ENA/SRA that should already have adapters removed. We recommend that you check your FastQC results this is indeed the case."
+        },
+        "longread_qc_skipqualityfilter": {
+          "type": "boolean",
+          "description": "Skip long-read length and quality filtering",
+          "fa_icon": "fas fa-forward",
+          "help_text": "Skip removal of quality filtering with Filtlong. This will skip length, percent reads, and target bases filtering (see other `--longread_qc_qualityfilter_*` parameters)."
+        },
+        "longread_qc_qualityfilter_minlength": {
+          "type": "integer",
+          "default": 1000,
+          "description": "Specify the minimum length of reads to be retained",
+          "fa_icon": "fas fa-ruler-horizontal",
+          "help_text": "Specify the minimum of length of reads to be kept for downstream analysis.\n\n> Modifies tool parameter(s):\n> - Filtlong: `--min_length`"
+        },
+        "longread_qc_qualityfilter_keeppercent": {
+          "type": "integer",
+          "default": 90,
+          "description": "Specify the percent of high-quality bases to be retained",
+          "fa_icon": "fas fa-percentage",
+          "help_text": "Throw out the remaining percentage of reads outside the value. This is measured by bp, not by read count. So this option throws out the worst e.g. 10% of read bases if the parameter is set to `90`.  _Modified from [Filtlong documentation](https://github.com/rrwick/Filtlong)_\n\n> Modifies tool parameter(s):\n> - Filtlong: `--keep_percent`"
+        },
+        "longread_qc_qualityfilter_targetbases": {
+          "type": "integer",
+          "default": 500000000,
+          "description": "Specify the number of high-quality bases in the library to be retained",
+          "fa_icon": "fas fa-bullseye",
+          "help_text": "Removes the worst reads until only the specified value of bases remain, useful for very large read sets. If the input read set is less than the specified value, this setting will have no effect. _Modified from [Filtlong documentation](https://github.com/rrwick/Filtlong)_\n\n> Modifies tool parameter(s):\n> - Filtlong: `--keep_percent`"
+        }
+      },
+      "fa_icon": "fas fa-expand-alt"
+    },
+    "preprocessing_host_removal_options": {
+      "title": "Preprocessing host removal options",
+      "type": "object",
+      "description": "Options for pre-profiling host read removal",
+      "default": "",
+      "properties": {
+        "perform_shortread_hostremoval": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turn on short-read host removal",
+          "help_text": "Turns on the ability to remove short-reads from the that derived from a known organism, using Bowtie2 and samtools\n\nThis subworkflow is useful to remove reads that may come from a host, or a known contamination like the human reference genome. Human DNA contamination of (microbial) reference genomes is well known, so removal of these prior profiling both reduces the risks of false positives, and in _some cases_ a faster runtime (as less reads need to be profiled).\n\nAlternatively, you can include the reference genome within your profiling databases and can turn off this subworkflow, with the trade off of a larger taxonomic profiling database."
+        },
+        "perform_longread_hostremoval": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turn on long-read host removal",
+          "help_text": "Turns on the ability to remove long-reads from the that derived from a known organism, using minimap2 and samtools\n\nThis subworkflow is useful to remove reads that may come from a host, or a known contamination like the human reference genome. Human DNA contamination of (microbial) reference genomes is well known, so removal of these prior profiling both reduces the risks of false positives, and in _some cases_ a faster runtime (as less reads need to be profiled).\n\nAlternatively, you can include the reference genome within your profiling databases and can turn off this subworkflow, with the trade off of a larger taxonomic profiling database."
+        },
+        "hostremoval_reference": {
+          "type": "string",
+          "default": "None",
+          "fa_icon": "fas fa-file-alt",
+          "description": "Specify path to single reference FASTA of host(s) genome(s)",
+          "help_text": "Specify a path to the FASTA file (optionally gzipped) of the reference genome of the organism to be removed.\n\nIf you have two or more host organisms or contaminants you wish to remove, you can concatenate the FASTAs of the different taxa into a single one to provide to the pipeline."
+        },
+        "shortread_hostremoval_index": {
+          "type": "string",
+          "default": "None",
+          "fa_icon": "fas fa-address-book",
+          "description": "Specify path to the directory containing pre-made BowTie2 indexes of the host removal reference",
+          "help_text": "Specify the path to a _directory_ containing pre-made Bowtie2 reference index files (i.e. the directory containing `.bt1`, `.bt2` files etc.). These should sit in the same directory alongside the the reference file specified in `--hostremoval_reference`.\n\nSpecifying premade indices can speed up runtime of the host-removal step, however if not supplied the pipeline will generate the indices for you."
+        },
+        "longread_hostremoval_index": {
+          "type": "string",
+          "default": "None",
+          "fa_icon": "fas fa-address-book",
+          "description": "Specify path to a pre-made Minimap2 index file (.mmi) of the host removal reference",
+          "help_text": "Specify path to a pre-made Minimap2 index file (.mmi) of the host removal reference file given to `--hostremoval_reference`.\n\nSpecifying a premade index file can speed up runtime of the host-removal step, however if not supplied the pipeline will generate the indices for you."
+        },
+        "save_hostremoval_index": {
+          "type": "boolean",
+          "fa_icon": "fas fa-save",
+          "description": "Save mapping index of input reference when not already supplied by user",
+          "help_text": "Save the output files of the in-built indexing of the host genome.\n\nThis is recommend to be turned on if you plan to use the same reference genome multiple times, as supplying the directory or file to `--shortread_hostremoval_index` or `--longread_hostremoval_index` respectively can speed up runtime of future runs. Once generated, we recommend you place this file _outside_ of your run results directory in a central 'cache' directory you and others using your machine can access and supply to the pipeline."
+        },
+        "save_hostremoval_mapped": {
+          "type": "boolean",
+          "fa_icon": "fas fa-save",
+          "description": "Save mapped reads in BAM format from host removal",
+          "help_text": "Save the reads mapped to the reference genome in BAM format as output by the respective hostremoval alignment tool.\n\nThis can be useful if you wish to perform other analyses on the host organism (such as host-microbe interaction), however, you should consider whether the default mapping parameters of Bowtie2 (short-read) or minimap2 (long-read) are optimised to your context. "
+        },
+        "save_hostremoval_unmapped": {
+          "type": "boolean",
+          "fa_icon": "fas fa-save",
+          "description": "Save unmapped reads in FASTQ format from host removal",
+          "help_text": "Save the unreads mapped to the reference genome in FASTQ format (as exported from `samtools view`).\n\nThis can be useful if you wish to perform other analyses on the off-target reads from the host mapping, such as manual profiling or _de novo_ assembly."
+        }
+      },
+      "fa_icon": "fas fa-user-times"
+    },
+    "preprocessing_run_merging_options": {
+      "title": "Preprocessing run merging options",
+      "type": "object",
+      "description": "Options for per-sample run-merging",
+      "default": "",
+      "properties": {
+        "perform_runmerging": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turn on run merging",
+          "help_text": "Turns on the concatenation of sequencing runs or libraries with the same sample name.\n\nThis can be useful to ensure you get a single profile per sample, rather than one profile per run or library. Note that in some cases comparing profiles of independent _libraries_ may be useful, so this parameter may not always be suitable.  "
+        },
+        "save_runmerged_reads": {
+          "type": "boolean",
+          "fa_icon": "fas fa-save",
+          "description": "Save run-concatenated input FASTQ files for each sample",
+          "help_text": "Save the run- and library-concatenated reads of a given sample in FASTQ format."
+        }
+      },
+      "fa_icon": "fas fa-clipboard-check"
+    },
+    "profiling_options": {
+      "title": "Profiling options",
+      "type": "object",
+      "description": "",
+      "default": "",
+      "properties": {
+        "run_centrifuge": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turn on profiling with Centrifuge. Requires database to be present CSV file passed to --databases"
+        },
+        "centrifuge_save_reads": {
+          "type": "boolean",
+          "fa_icon": "fas fa-save",
+          "description": "Turn on saving of Centrifuge-aligned reads",
+          "help_text": "Save mapped (SAM, FASTQ) and unmapped (FASTQ) reads from alignment step of centrifuge in your output results directory.\n\n> Modifies tool parameter(s):\n> - centrifuge: `--un-gz`, `--al-gz`, `--un-conc-gz`, `--al-conc-gz`, `--out-fmt`"
+        },
+        "run_diamond": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turn on profiling with DIAMOND. Requires database to be present CSV file passed to --databases"
+        },
+        "diamond_output_format": {
+          "type": "string",
+          "default": "tsv",
+          "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"],
+          "fa_icon": "fas fa-file",
+          "description": "Specify output format from DIAMOND profiling.",
+          "help_text": "DIAMOND can produce output in a number of different formats, you can specify here which to produce.\n\nNote that DIAMOND can only produce one format at a time, and depending on which you pick, some downstream steps may not be executed. For example, selecting `daa` or `sam` will mean you will not get a tabular taxonomic profile as with the other tools.\n\nWill be overriden by `--diamond_save_reads.`\n\n> Modifies tool parameter(s):\n> - diamond blastx: `--outfmt`"
+        },
+        "diamond_save_reads": {
+          "type": "boolean",
+          "fa_icon": "fas fa-save",
+          "description": "Turn on saving of DIAMOND-aligned reads. Will override --diamond_output_format and no taxon tables will be generated",
+          "help_text": "Save aligned reads in SAM format from alignment step of DIAMOND in your output results directory.\n\nNote this explicitly overrides `--diamond_output_format` to produce the SAM file, and no taxon table will be generated.\n\n> Modifies tool parameter(s):\n> - DIAMOND: `--outfmt`"
+        },
+        "run_kaiju": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turn on profiling with Kaiju. Requires database to be present CSV file passed to --databases"
+        },
+        "kaiju_taxon_rank": {
+          "type": "string",
+          "default": "species",
+          "enum": ["phylum", "class", "order", "family", "genus", "species"],
+          "fa_icon": "fas fa-tag",
+          "description": "Specify taxonomic rank to be displayed in Kaiju taxon table",
+          "help_text": "Specify the taxonomic level(s) to be displayed in the resulting Kaiju taxon table, as generated by the kaiju2table helper tool.\n\nThis can be either a single level (e.g. `species`), or a comma separated list to display the full taxonomic path (e.g. `superkingdom,phylum,class,order,family,genus,species.`).\n\n> Modifies tool parameter(s):\n> - kaiju2table: `-l`"
+        },
+        "run_kraken2": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turn on profiling with Kraken2. Requires database to be present CSV file passed to --databases"
+        },
+        "kraken2_save_reads": {
+          "type": "boolean",
+          "fa_icon": "fas fa-save",
+          "description": "Turn on saving of Kraken2-aligned reads",
+          "help_text": "Save reads that do and do not have a taxonomic classification in your output results directory in FASTQ format.\n\n> Modifies tool parameter(s):\n> - kraken2: `--classified-out` and `--unclassified-out`"
+        },
+        "kraken2_save_readclassification": {
+          "type": "boolean",
+          "fa_icon": "fas fa-save",
+          "description": "Turn on saving of Kraken2 per-read taxonomic assignment file",
+          "help_text": "Save a text file that contains a list of each read that had a taxonomic assignment, with information on specific taxonomic taxonomic assignment that that read recieved.\n\n> Modifies tool parameter(s):\n> - kraken2: `--output`"
+        },
+        "kraken2_save_minimizers": {
+          "type": "boolean",
+          "description": "Turn on saving minimizer information in the kraken2 report thus increasing to an eight column layout.",
+          "fa_icon": "fas fa-save",
+          "help_text": "Turn on saving minimizer information in the kraken2 report thus increasing to an eight column layout.\n\nAdds `--report-minimizer-data` to the kraken2 command."
+        },
+        "run_bracken": {
+          "type": "boolean",
+          "description": "Post-process kraken2 reports with Bracken.",
+          "fa_icon": "fas fa-toggle-on"
+        },
+        "run_malt": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turn on profiling with MALT. Requires database to be present CSV file passed to --databases"
+        },
+        "malt_mode": {
+          "type": "string",
+          "default": "BlastN",
+          "fa_icon": "fas fa-check-square",
+          "description": "Specify which MALT alignment mode to use",
+          "help_text": "Specify which version of MALT alignment to use.\n\nBlastN is generally recommended (nucleotide-nucleotide alignment), but particularly for very short reads (such as aDNA), whereas BlastX mode is similar to DIAMOND and will translate the nucleotide to amino acid sequences. Note each type of alignment mode requires different parameters during database construction. Refer to the MALT manual for more information.\n\n> Modifies tool parameter(s):\n> - malt-run: `-mode` "
+        },
+        "malt_save_reads": {
+          "type": "boolean",
+          "fa_icon": "fas fa-save",
+          "description": "Turn on saving of MALT-aligned reads",
+          "help_text": "Turns on saving of MALT aligned reads in SAM format.\n\nNote that the SAM format produce by MALT is not completely valid, and may not work with downstream tools.\n\n> Modifies tool parameter(s):\n> - malt-run: `--alignments`, `-za`"
+        },
+        "malt_generate_megansummary": {
+          "type": "boolean",
+          "fa_icon": "fas fa-save",
+          "description": "Turn on generation of MEGAN summary file from MALT results",
+          "help_text": "Turns on saving of MALT output in an additional MEGAN summary file (`.megan`) that can be loaded into the MEGAN metagenomic exploration tool.\n\nNote: this file is generated not directly from MALT but rather then MEGAN utility script `rma2info`.\n\n> Modifies tool parameter(s):\n> - rma2info: `-es`"
+        },
+        "run_metaphlan3": {
+          "type": "boolean",
+          "description": "Turn on profiling with MetaPhlAn3. Requires database to be present CSV file passed to --databases",
+          "fa_icon": "fas fa-toggle-on"
+        },
+        "run_motus": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turn on profiling with mOTUs. Requires database to be present CSV file passed to --databases"
+        }
+      },
+      "fa_icon": "fas fa-align-center"
+    },
+    "postprocessing_and_visualisation_options": {
+      "title": "Postprocessing and visualisation options",
+      "type": "object",
+      "description": "",
+      "default": "",
+      "properties": {
+        "run_profile_standardisation": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turn on standardisation of taxon tables across profilers",
+          "help_text": "Turns on standardisation of output OTU tables across all tools; each into a TSV format following the following scheme:\n\n|TAXON   | SAMPLE_A | SAMPLE_B |\n|-------------|----------------|-----------------|\n| taxon_a | 32               | 123             |\n| taxon_b | 1                 | 5                 |\n\nThis currently only is generated for mOTUs."
+        },
+        "generate_biom_output": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turn on generation of BIOM output (currently only applies to mOTUs)",
+          "help_text": "Turn on the saving of the taxonomic output in BIOM format (`.biom`) in the results directory of your pipeline run, instead of the default TSV format.\n\nNote this file is from the output of the `motus merge` command.\n\n> Modifies tool parameter(s):\n> - `-B -o`"
+        },
+        "run_krona": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turn on generation of Krona plots for supported profilers",
+          "help_text": "Turn on the generation of Krona interactive pie-chart HTMLs for a selection of profilers.\n\nThe tools currently supported are:\n\n- centrifuge\n- kraken2\n- kaiju\n- MALT"
+        },
+        "krona_taxonomy_directory": {
+          "type": "string",
+          "default": "None",
+          "fa_icon": "fas fa-folder-open",
+          "description": "Specify path to krona taxonomy directories (required for MALT krona plots)",
+          "help_text": "Specify a path to a Krona taxonomy database directory (i.e. a directory containing a krona generated `.tab` file).\n\nThis is only required for generating Krona plots of MALT output.\n\nNote this taxonomy database must be downloaded and generated with the `updateTaxonomy.sh` script from the krona-tools package."
+        }
+      },
+      "fa_icon": "fas fa-chart-line"
+    },
+    "institutional_config_options": {
+      "title": "Institutional config options",
+      "type": "object",
+      "fa_icon": "fas fa-university",
+      "description": "Parameters used to describe centralised config profiles. These should not be edited.",
+      "help_text": "The centralised nf-core configuration profiles use a handful of pipeline parameters to describe themselves. This information is then printed to the Nextflow log when you run a pipeline. You should not need to change these values when you run a pipeline.",
+      "properties": {
+        "custom_config_version": {
+          "type": "string",
+          "description": "Git commit id for Institutional configs.",
+          "default": "master",
+          "hidden": true,
+          "fa_icon": "fas fa-users-cog"
+        },
+        "custom_config_base": {
+          "type": "string",
+          "description": "Base directory for Institutional configs.",
+          "default": "https://raw.githubusercontent.com/nf-core/configs/master",
+          "hidden": true,
+          "help_text": "If you're running offline, Nextflow will not be able to fetch the institutional config files from the internet. If you don't need them, then this is not a problem. If you do need them, you should download the files from the repo and tell Nextflow where to find them with this parameter.",
+          "fa_icon": "fas fa-users-cog"
+        },
+        "config_profile_name": {
+          "type": "string",
+          "description": "Institutional config name.",
+          "hidden": true,
+          "fa_icon": "fas fa-users-cog"
+        },
+        "config_profile_description": {
+          "type": "string",
+          "description": "Institutional config description.",
+          "hidden": true,
+          "fa_icon": "fas fa-users-cog"
+        },
+        "config_profile_contact": {
+          "type": "string",
+          "description": "Institutional config contact information.",
+          "hidden": true,
+          "fa_icon": "fas fa-users-cog"
+        },
+        "config_profile_url": {
+          "type": "string",
+          "description": "Institutional config URL link.",
+          "hidden": true,
+          "fa_icon": "fas fa-users-cog"
         }
+      }
     },
-    "allOf": [
-        {
-            "$ref": "#/definitions/input_output_options"
+    "max_job_request_options": {
+      "title": "Max job request options",
+      "type": "object",
+      "fa_icon": "fab fa-acquisitions-incorporated",
+      "description": "Set the top limit for requested resources for any single job.",
+      "help_text": "If you are running on a smaller system, a pipeline step requesting more resources than are available may cause the Nextflow to stop the run with an error. These options allow you to cap the maximum resources requested by any single job so that the pipeline will run on your system.\n\nNote that you can not _increase_ the resources requested by any job using these options. For that you will need your own configuration file. See [the nf-core website](https://nf-co.re/usage/configuration) for details.",
+      "properties": {
+        "max_cpus": {
+          "type": "integer",
+          "description": "Maximum number of CPUs that can be requested for any single job.",
+          "default": 16,
+          "fa_icon": "fas fa-microchip",
+          "hidden": true,
+          "help_text": "Use to set an upper-limit for the CPU requirement for each process. Should be an integer e.g. `--max_cpus 1`"
         },
-        {
-            "$ref": "#/definitions/preprocessing_general_qc_options"
+        "max_memory": {
+          "type": "string",
+          "description": "Maximum amount of memory that can be requested for any single job.",
+          "default": "128.GB",
+          "fa_icon": "fas fa-memory",
+          "pattern": "^\\d+(\\.\\d+)?\\.?\\s*(K|M|G|T)?B$",
+          "hidden": true,
+          "help_text": "Use to set an upper-limit for the memory requirement for each process. Should be a string in the format integer-unit e.g. `--max_memory '8.GB'`"
         },
-        {
-            "$ref": "#/definitions/preprocessing_short_read_qc_options"
+        "max_time": {
+          "type": "string",
+          "description": "Maximum amount of time that can be requested for any single job.",
+          "default": "240.h",
+          "fa_icon": "far fa-clock",
+          "pattern": "^(\\d+\\.?\\s*(s|m|h|day)\\s*)+$",
+          "hidden": true,
+          "help_text": "Use to set an upper-limit for the time requirement for each process. Should be a string in the format integer-unit e.g. `--max_time '2.h'`"
+        }
+      }
+    },
+    "generic_options": {
+      "title": "Generic options",
+      "type": "object",
+      "fa_icon": "fas fa-file-import",
+      "description": "Less common options for the pipeline, typically set in a config file.",
+      "help_text": "These options are common to all nf-core pipelines and allow you to customise some of the core preferences for how the pipeline runs.\n\nTypically these options would be set in a Nextflow config file loaded for all pipeline runs, such as `~/.nextflow/config`.",
+      "properties": {
+        "help": {
+          "type": "boolean",
+          "description": "Display help text.",
+          "fa_icon": "fas fa-question-circle",
+          "hidden": true
+        },
+        "publish_dir_mode": {
+          "type": "string",
+          "default": "copy",
+          "description": "Method used to save pipeline results to output directory.",
+          "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
+          "fa_icon": "fas fa-copy",
+          "enum": [
+            "symlink",
+            "rellink",
+            "link",
+            "copy",
+            "copyNoFollow",
+            "move"
+          ],
+          "hidden": true
+        },
+        "email_on_fail": {
+          "type": "string",
+          "description": "Email address for completion summary, only when pipeline fails.",
+          "fa_icon": "fas fa-exclamation-triangle",
+          "pattern": "^([a-zA-Z0-9_\\-\\.]+)@([a-zA-Z0-9_\\-\\.]+)\\.([a-zA-Z]{2,5})$",
+          "help_text": "An email address to send a summary email to when the pipeline is completed - ONLY sent if the pipeline does not exit successfully.",
+          "hidden": true
         },
-        {
-            "$ref": "#/definitions/preprocessing_long_read_qc_options"
+        "plaintext_email": {
+          "type": "boolean",
+          "description": "Send plain-text email instead of HTML.",
+          "fa_icon": "fas fa-remove-format",
+          "hidden": true
         },
-        {
-            "$ref": "#/definitions/preprocessing_host_removal_options"
+        "max_multiqc_email_size": {
+          "type": "string",
+          "description": "File size limit when attaching MultiQC reports to summary emails.",
+          "pattern": "^\\d+(\\.\\d+)?\\.?\\s*(K|M|G|T)?B$",
+          "default": "25.MB",
+          "fa_icon": "fas fa-file-upload",
+          "hidden": true
         },
-        {
-            "$ref": "#/definitions/preprocessing_run_merging_options"
+        "monochrome_logs": {
+          "type": "boolean",
+          "description": "Do not use coloured log outputs.",
+          "fa_icon": "fas fa-palette",
+          "hidden": true
         },
-        {
-            "$ref": "#/definitions/profiling_options"
+        "hook_url": {
+          "type": "string",
+          "description": "Incoming hook URL for messaging service",
+          "fa_icon": "fas fa-people-group",
+          "help_text": "Incoming hook URL for messaging service. Currently, only MS Teams is supported.",
+          "hidden": true
         },
-        {
-            "$ref": "#/definitions/postprocessing_and_visualisation_options"
+        "multiqc_config": {
+          "type": "string",
+          "description": "Custom config file to supply to MultiQC.",
+          "fa_icon": "fas fa-cog",
+          "hidden": true
         },
-        {
-            "$ref": "#/definitions/institutional_config_options"
+        "multiqc_logo": {
+          "type": "string",
+          "description": "Custom logo file to supply to MultiQC. File name must also be set in the MultiQC config file",
+          "fa_icon": "fas fa-image",
+          "hidden": true
         },
-        {
-            "$ref": "#/definitions/max_job_request_options"
+        "multiqc_methods_description": {
+          "type": "string",
+          "description": "Custom MultiQC yaml file containing HTML including a methods description.",
+          "fa_icon": "fas fa-cog"
         },
-        {
-            "$ref": "#/definitions/generic_options"
+        "tracedir": {
+          "type": "string",
+          "description": "Directory to keep pipeline Nextflow logs and reports.",
+          "default": "${params.outdir}/pipeline_info",
+          "fa_icon": "fas fa-cogs",
+          "hidden": true
         },
-        {
-            "$ref": "#/definitions/reference_genome_options"
+        "validate_params": {
+          "type": "boolean",
+          "description": "Boolean whether to validate parameters against the schema at runtime",
+          "default": true,
+          "fa_icon": "fas fa-check-square",
+          "hidden": true
+        },
+        "show_hidden_params": {
+          "type": "boolean",
+          "fa_icon": "far fa-eye-slash",
+          "description": "Show all params when using `--help`",
+          "hidden": true,
+          "help_text": "By default, parameters set as _hidden_ in the schema are not shown on the command line when a user runs with `--help`. Specifying this option will tell the pipeline to show all parameters."
+        },
+        "enable_conda": {
+          "type": "boolean",
+          "description": "Run this workflow with Conda. You can also use '-profile conda' instead of providing this parameter.",
+          "hidden": true,
+          "fa_icon": "fas fa-bacon"
         }
-    ],
-    "properties": {
-        "preprocessing_qc_tool": {
-            "type": "string",
-            "default": "fastqc",
-            "enum": [
-                "fastqc",
-                "falco"
-            ],
-            "help_text": "Falco is designed as a drop-in replacement for FastQC but written in C++ for faster computation. We particularly recommend using falco when using long reads (due to reduced memory constraints), however is also applicable for short reads.",
-            "description": "Specify the tool used for quality control of raw sequencing reads"
-        },
-        "save_mgc_counts": {
-            "type": "string",
-            "description": "Save the mgc reads count in mOTUs."
-        },
-        "save_ncbi_id": {
-            "type": "string",
-            "description": "Print NCBI id in mOTUs."
-        },
-        "save_read_counts": {
-            "type": "string",
-            "description": "Print result as counts instead of relative abundances in mOTUs."
+      }
+    },
+    "reference_genome_options": {
+      "title": "Reference genome options",
+      "type": "object",
+      "fa_icon": "fas fa-dna",
+      "description": "Reference genome related files and options required for the workflow.",
+      "properties": {
+        "genome": {
+          "type": "string",
+          "description": "Name of iGenomes reference.",
+          "fa_icon": "fas fa-book",
+          "help_text": "If using a reference genome configured in the pipeline using iGenomes, use this parameter to give the ID for the reference. This is then used to build the full paths for all required reference genome files e.g. `--genome GRCh38`. \n\nSee the [nf-core website docs](https://nf-co.re/usage/reference_genomes) for more details.",
+          "hidden": true
+        },
+        "igenomes_base": {
+          "type": "string",
+          "format": "directory-path",
+          "description": "Directory / URL base for iGenomes references.",
+          "default": "s3://ngi-igenomes/igenomes",
+          "fa_icon": "fas fa-cloud-download-alt",
+          "hidden": true
+        },
+        "igenomes_ignore": {
+          "type": "boolean",
+          "description": "Do not load the iGenomes reference config.",
+          "fa_icon": "fas fa-ban",
+          "hidden": true,
+          "help_text": "Do not load `igenomes.config` when running the pipeline. You may choose this option if you observe clashes between custom parameters and those supplied in `igenomes.config`."
         }
+      }
+    }
+  },
+  "allOf": [
+    {
+      "$ref": "#/definitions/input_output_options"
+    },
+    {
+      "$ref": "#/definitions/preprocessing_general_qc_options"
+    },
+    {
+      "$ref": "#/definitions/preprocessing_short_read_qc_options"
+    },
+    {
+      "$ref": "#/definitions/preprocessing_long_read_qc_options"
+    },
+    {
+      "$ref": "#/definitions/preprocessing_host_removal_options"
+    },
+    {
+      "$ref": "#/definitions/preprocessing_run_merging_options"
+    },
+    {
+      "$ref": "#/definitions/profiling_options"
+    },
+    {
+      "$ref": "#/definitions/postprocessing_and_visualisation_options"
+    },
+    {
+      "$ref": "#/definitions/institutional_config_options"
+    },
+    {
+      "$ref": "#/definitions/max_job_request_options"
+    },
+    {
+      "$ref": "#/definitions/generic_options"
+    },
+    {
+      "$ref": "#/definitions/reference_genome_options"
+    }
+  ],
+  "properties": {
+    "preprocessing_qc_tool": {
+      "type": "string",
+      "default": "fastqc",
+      "enum": ["fastqc", "falco"],
+      "help_text": "Falco is designed as a drop-in replacement for FastQC but written in C++ for faster computation. We particularly recommend using falco when using long reads (due to reduced memory constraints), however is also applicable for short reads.",
+      "description": "Specify the tool used for quality control of raw sequencing reads"
+    },
+    "save_mgc_counts": {
+      "type": "boolean",
+      "description": "Save the mgc reads count in mOTUs."
+    },
+    "save_ncbi_id": {
+      "type": "boolean",
+      "description": "Print NCBI id in mOTUs."
+    },
+    "save_read_counts": {
+      "type": "boolean",
+      "description": "Print result as counts instead of relative abundances in mOTUs."
     }
-}
\ No newline at end of file
+  }
+}

From 644a29c699fd4c9e9b1b500570342b795cfcbe4a Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Tue, 29 Nov 2022 11:34:57 +0100
Subject: [PATCH 485/789] Prettier

---
 nextflow_schema.json | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 58cab0c..cbe70b0 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -742,15 +742,15 @@
     },
     "save_mgc_counts": {
       "type": "boolean",
-      "description": "Save the mgc reads count in mOTUs."
+      "description": "Save the mgc reads count for mOTUs."
     },
     "save_ncbi_id": {
       "type": "boolean",
-      "description": "Print NCBI id in mOTUs."
+      "description": "Print NCBI taxonomic id for mOTUs."
     },
     "save_read_counts": {
       "type": "boolean",
-      "description": "Print result as counts instead of relative abundances in mOTUs."
+      "description": "Print mOTUs result as counts instead of relative abundances.."
     }
   }
 }

From fb6be69d7eefd55ec52f53daf6059ee59ffa2c4f Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Tue, 29 Nov 2022 11:37:20 +0100
Subject: [PATCH 486/789] Prettier should work now

---
 nextflow_schema.json | 1469 +++++++++++++++++++++---------------------
 1 file changed, 731 insertions(+), 738 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index cbe70b0..e0b7fa6 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -1,756 +1,749 @@
 {
-  "$schema": "http://json-schema.org/draft-07/schema",
-  "$id": "https://raw.githubusercontent.com/nf-core/taxprofiler/master/nextflow_schema.json",
-  "title": "nf-core/taxprofiler pipeline parameters",
-  "description": "Taxonomic profiling of shotgun metagenomic data",
-  "type": "object",
-  "definitions": {
-    "input_output_options": {
-      "title": "Input/output options",
-      "type": "object",
-      "fa_icon": "fas fa-terminal",
-      "description": "Define where the pipeline should find input data and save output data.",
-      "required": ["input", "databases", "outdir"],
-      "properties": {
-        "input": {
-          "type": "string",
-          "format": "file-path",
-          "mimetype": "text/csv",
-          "pattern": "^\\S+\\.(csv|yaml|yml)$",
-          "schema": "assets/schema_input.json",
-          "description": "Path to comma-separated file containing information about the samples and libraries/runs.",
-          "help_text": "You will need to create a design file with information about the samples and libraries/runs you want to running in your pipeline run. Use this parameter to specify its location. It has to be a comma-separated file with 6 columns, and a header row. See [usage docs](https://nf-co.re/taxprofiler/usage#samplesheet-input).",
-          "fa_icon": "fas fa-file-csv"
-        },
-        "databases": {
-          "type": "string",
-          "mimetype": "text/csv",
-          "format": "file-path",
-          "fa_icon": "fas fa-database",
-          "description": "Path to comma-separated file containing information about databases and profiling parameters for each taxonomic profiler",
-          "help_text": "You will need to create a design file with information about the samples in your experiment before running the pipeline. Use this parameter to specify its location. It has to be a comma-separated file with 4 columns, and a header row. See [usage docs](https://nf-co.re/taxprofiler/dev/usage#full-database-sheet).\n\nProfilers will only be executed if a corresponding  database are supplied. \n\nWe recommend storing this database sheet somewhere centrally and accessible by others members of your lab/institutions, as this file will likely be regularly reused."
-        },
-        "outdir": {
-          "type": "string",
-          "format": "directory-path",
-          "description": "The output directory where the results will be saved. You have to use absolute paths to storage on Cloud infrastructure.",
-          "fa_icon": "fas fa-folder-open"
-        },
-        "email": {
-          "type": "string",
-          "description": "Email address for completion summary.",
-          "fa_icon": "fas fa-envelope",
-          "help_text": "Set this parameter to your e-mail address to get a summary e-mail with details of the run sent to you when the workflow exits. If set in your user config file (`~/.nextflow/config`) then you don't need to specify this on the command line for every run.",
-          "pattern": "^([a-zA-Z0-9_\\-\\.]+)@([a-zA-Z0-9_\\-\\.]+)\\.([a-zA-Z]{2,5})$"
-        },
-        "multiqc_title": {
-          "type": "string",
-          "description": "MultiQC report title. Printed as page header, used for filename if not otherwise specified.",
-          "fa_icon": "fas fa-file-signature"
-        }
-      }
-    },
-    "preprocessing_general_qc_options": {
-      "title": "Preprocessing general QC options",
-      "type": "object",
-      "description": "Common options across both long and short read preprocessing QC steps",
-      "default": "",
-      "properties": {
-        "save_preprocessed_reads": {
-          "type": "boolean",
-          "fa_icon": "fas fa-save",
-          "description": "Save reads from adapter clipping/pair-merging, length filtering for both short and long reads",
-          "help_text": "This saves the FASTQ output from the following tools:\n\n- fastp\n- AdapterRemoval\n- Porechop\n- Filtlong\n\nThese reads will be a mixture of: adapter clipped, quality trimmed, pair-merged, and length filtered, depending on the parameters you set."
-        }
-      },
-      "fa_icon": "fas fa-users-cog"
-    },
-    "preprocessing_short_read_qc_options": {
-      "title": "Preprocessing short-read QC options",
-      "type": "object",
-      "description": "Options for adapter clipping, quality trimming, pair-merging, and complexity filtering",
-      "default": "",
-      "properties": {
-        "perform_shortread_qc": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turns on short read quality control steps (adapter clipping, complexity filtering etc.)",
-          "help_text": "Turns on short read quality control steps (adapter clipping, complexity filtering etc.)\n\nThis subworkflow can perform:\n\n- Adapter removal\n- Read quality trimming\n- Read pair merging\n- Length filtering\n- Complexity filtering\n\nEither with fastp or AdapterRemoval.\n\nRemoving adapters (if present) is recommend to reduce false-postive hits that may occur from 'dirty' or 'contaminated' reference genomes in a profiling database that contain accidentially incorporated adapter sequences. Note that some, but not all, tools support paired-end alignment (utilising information about the insert covered by the pairs). However read pair merging in some cases can be recommend to increase read length (such as in aDNA). Length filtering, and/or complexity can speed up alignment by reducing the number of short unspecific reads that need to be aligned."
-        },
-        "shortread_qc_tool": {
-          "type": "string",
-          "default": "fastp",
-          "enum": ["fastp", "adapterremoval"],
-          "fa_icon": "fas fa-tools",
-          "description": "Specify which tool to use for short-read QC"
-        },
-        "shortread_qc_skipadaptertrim": {
-          "type": "boolean",
-          "fa_icon": "fas fa-forward",
-          "description": "Skip adapter trimming",
-          "help_text": "Skip the removal of sequencing adapters. \n\nThis often can be useful to speed up run-time of the pipeline when analysing data downloaded from public databases such as the ENA or SRA, as adapters should already be removed (however we recommend to check FastQC results to ensure this is the case)."
-        },
-        "shortread_qc_adapter1": {
-          "type": "string",
-          "default": "None",
-          "fa_icon": "fas fa-grip-lines",
-          "description": "Specify adapter 1 nucleotide sequence",
-          "help_text": "Specify a custom forward or R1 adapter sequence to be removed from reads. \n\nIf not set, the selected short-read QC tool's defaults will be used.\n\n> Modifies tool parameter(s):\n> - fastp: `--adapter_sequence`. fastp default: `AGATCGGAAGAGCACACGTCTGAACTCCAGTCA`\n> - AdapterRemoval: `--adapter1`. AdapteRemoval2 default: `AGATCGGAAGAGCACACGTCTGAACTCCAGTCACNNNNNNATCTCGTATGCCGTCTTCTGCTTG`"
-        },
-        "shortread_qc_adapter2": {
-          "type": "string",
-          "default": "None",
-          "fa_icon": "fas fa-grip-lines",
-          "description": "Specify adapter 2 nucleotide sequence",
-          "help_text": "Specify a custom reverse or R2 adapter sequence to be removed from reads. \n\nIf not set, the selected short-read QC tool's defaults will be used.\n\n> Modifies tool parameter(s):\n> - fastp: `--adapter_sequence`. fastp default: `AGATCGGAAGAGCGTCGTGTAGGGAAAGAGTGT`\n> - AdapterRemoval: `--adapter1`. AdapteRemoval2 default: `AGATCGGAAGAGCGTCGTGTAGGGAAAGAGTGTAGATCTCGGTGGTCGCCGTATCATT`"
-        },
-        "shortread_qc_adapterlist": {
-          "type": "string",
-          "default": "None",
-          "description": "Specify a list of all possible adapters to trim. Overrides --shortread_qc_adapter1/2. Formats: .txt (AdapterRemoval) or .fasta. (fastp).",
-          "help_text": "Allows to supply a file with a list of adapter (combinations) to remove from all files. \n\nOverrides the --shortread_qc_adapter1/--shortread_qc_adapter2 parameters . \n\nFor AdapterRemoval this consists of a two column table with a `.txt` extension: first column represents forward strand, second column for reverse strand. You must supply all possible combinations, one per line, and this list is applied to all files. See AdapterRemoval documentation for more information.\n\nFor fastp this consists of a standard FASTA format with a `.fasta`/`.fa`/`.fna`/`.fas` extension. The adapter sequence in this file should be at least 6bp long, otherwise it will be skipped. fastp trims the adapters present in the FASTA file one by one.\n\n> Modifies AdapterRemoval parameter: --adapter-list\n> Modifies fastp parameter: --adapter_fasta"
-        },
-        "shortread_qc_mergepairs": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turn on merging of read pairs for paired-end data",
-          "default": true,
-          "help_text": "Turn on the merging of read-pairs of paired-end short read sequencing data for AdapterRemoval (this is performed automatically with fastp).\n\n> Modifies tool parameter(s):\n> - AdapterRemoval: `--collapse`\n"
-        },
-        "shortread_qc_excludeunmerged": {
-          "type": "boolean",
-          "fa_icon": "far fa-times-circle",
-          "description": "Discard unmerged reads from paired-end merging",
-          "help_text": "Turns off the inclusion of unmerged reads in resulting processing FASTQ file of paired-end sequencing data when using `fastp`.\n\nThis can be useful in cases where you prefer to have very short reads (e.g. aDNA), thus excluding longer-reads or possibly faulty reads where one of the pair was discarded.\n\n> Modifies tool parameter(s):\n> - removed from reads `--include_unmerged`\n"
-        },
-        "shortread_qc_minlength": {
-          "type": "integer",
-          "default": 15,
-          "fa_icon": "fas fa-ruler-horizontal",
-          "description": "Specify the minimum length of reads to be retained",
-          "help_text": "Specifying a mimum read length filtering can speed up profiling by reducing the number of short unspecific reads that need to be match/aligned to the database.\n\n> Modifies tool parameter(s):\n> - removed from reads `--length_required`\n> - AdapterRemoval: `--minlength`"
-        },
-        "perform_shortread_complexityfilter": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turns on nucleotide sequence complexity filtering",
-          "help_text": "Turns on sequencing complexity filtering. Complexity filtering can be useful to increase run-time by removing unspecific read sequences that do not provide any informative taxon ID."
-        },
-        "shortread_complexityfilter_tool": {
-          "type": "string",
-          "default": "bbduk",
-          "enum": ["bbduk", "prinseqplusplus", "fastp"],
-          "fa_icon": "fas fa-hammer",
-          "description": "Specify which tool to use for complexity filtering"
-        },
-        "shortread_complexityfilter_entropy": {
-          "type": "number",
-          "default": 0.3,
-          "fa_icon": "fas fa-random",
-          "description": "Specify the minimum sequence entropy level for complexity filtering",
-          "help_text": "Specify the minimum 'entropy' value for complexity filtering for BBDuk or PRINSEQ++.\n\nNote that this value will only be used for PRINSEQ++ if `--shortread_complexityfilter_prinseqplusplus_mode` is set to `entropy`.\n\nEntropy here corresponds to the amount of sequence variation exists within the read. Higher values correspond to more variety, and thus will likely reslut in more specific matching to a taxon's reference genome. The trade off here is fewer reads (or abundance information) available for having a confident identification.\n\n\n> Modifies tool parameter(s):\n> - BBDuk: `entropy=`\n> - PRINSEQ++:  `-lc_entropy`\n\n"
-        },
-        "shortread_complexityfilter_bbduk_windowsize": {
-          "type": "integer",
-          "default": 50,
-          "fa_icon": "far fa-window-maximize",
-          "description": "Specify the window size for BBDuk complexity filtering",
-          "help_text": "Specify the window size to calculate the level entropy within for BBDuk.\n\n> Modifies tool parameter(s):\n> - BBDuk: `entropywindow=`"
-        },
-        "shortread_complexityfilter_bbduk_mask": {
-          "type": "boolean",
-          "fa_icon": "fas fa-mask",
-          "description": "Turn on masking rather than discarding of low complexity reads for BBduk",
-          "help_text": "Turn on masking of low-complexity reads (i.e., replacement with `N`) rather than removal.\n\n> Modifies tool parameter(s)\n> - BBDuk: `entropymask=`"
-        },
-        "shortread_complexityfilter_fastp_threshold": {
-          "type": "integer",
-          "default": 30,
-          "fa_icon": "fas fa-sort-numeric-down",
-          "description": "Specify the minimum complexity filter threshold of fastp",
-          "help_text": "Specify the minimum sequence complexity value for fastp. This value corresponds to the percentage of bases that is different from it's adjacent bases.\n\n> Modifies tool parameter(s):\n> - removed from reads `--complexity_threshold`"
-        },
-        "shortread_complexityfilter_prinseqplusplus_mode": {
-          "type": "string",
-          "default": "entropy",
-          "enum": ["entropy", "dust"],
-          "fa_icon": "fas fa-check-square",
-          "description": "Specify the complexity filter mode for PRINSEQ++"
-        },
-        "shortread_complexityfilter_prinseqplusplus_dustscore": {
-          "type": "number",
-          "default": 0.5,
-          "fa_icon": "fas fa-head-side-mask",
-          "description": "Specify the minimum dust score for PRINTSEQ++ complexity filtering",
-          "help_text": "Specify the minimum dust score below which low-complexity reads will be removed. A DUST score is based on how often different tri-nucleotides occur along a read.\n\n> Modifies tool parameter(s):\n> - PRINSEQ++: `--lc_dust`"
-        },
-        "save_complexityfiltered_reads": {
-          "type": "boolean",
-          "fa_icon": "fas fa-save",
-          "description": "Save complexity filtered short-reads",
-          "help_text": "Specify whether to save the final complexity filtered reads in your results directory (`--outdir`)."
-        }
-      },
-      "fa_icon": "fas fa-compress-alt"
-    },
-    "preprocessing_long_read_qc_options": {
-      "title": "Preprocessing long-read QC options",
-      "type": "object",
-      "description": "Options for adapter clipping, quality trimming, and length filtering",
-      "default": "",
-      "properties": {
-        "perform_longread_qc": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turns on long read quality control steps (adapter clipping, length filtering etc.)",
-          "help_text": "Turns on long read quality control steps (adapter clipping, length and/or quality filtering.)\n\nRemoving adapters (if present) is recommend to reduce false-postive hits that may occur from 'dirty' or 'contaminated' reference genomes in a profiling database that contain accidentially incorporated adapter sequences.\n\nLength filtering, and quality filtering can speed up alignment by reducing the number of unspecific reads that need to be aligned."
-        },
-        "longread_qc_skipadaptertrim": {
-          "type": "boolean",
-          "description": "Skip long-read trimming",
-          "fa_icon": "fas fa-forward",
-          "help_text": "Skip removal of adapters by Porechop. This can be useful in some cases to speed up run time - particularly when you are running data downloading from public databases such as the ENA/SRA that should already have adapters removed. We recommend that you check your FastQC results this is indeed the case."
-        },
-        "longread_qc_skipqualityfilter": {
-          "type": "boolean",
-          "description": "Skip long-read length and quality filtering",
-          "fa_icon": "fas fa-forward",
-          "help_text": "Skip removal of quality filtering with Filtlong. This will skip length, percent reads, and target bases filtering (see other `--longread_qc_qualityfilter_*` parameters)."
-        },
-        "longread_qc_qualityfilter_minlength": {
-          "type": "integer",
-          "default": 1000,
-          "description": "Specify the minimum length of reads to be retained",
-          "fa_icon": "fas fa-ruler-horizontal",
-          "help_text": "Specify the minimum of length of reads to be kept for downstream analysis.\n\n> Modifies tool parameter(s):\n> - Filtlong: `--min_length`"
-        },
-        "longread_qc_qualityfilter_keeppercent": {
-          "type": "integer",
-          "default": 90,
-          "description": "Specify the percent of high-quality bases to be retained",
-          "fa_icon": "fas fa-percentage",
-          "help_text": "Throw out the remaining percentage of reads outside the value. This is measured by bp, not by read count. So this option throws out the worst e.g. 10% of read bases if the parameter is set to `90`.  _Modified from [Filtlong documentation](https://github.com/rrwick/Filtlong)_\n\n> Modifies tool parameter(s):\n> - Filtlong: `--keep_percent`"
-        },
-        "longread_qc_qualityfilter_targetbases": {
-          "type": "integer",
-          "default": 500000000,
-          "description": "Specify the number of high-quality bases in the library to be retained",
-          "fa_icon": "fas fa-bullseye",
-          "help_text": "Removes the worst reads until only the specified value of bases remain, useful for very large read sets. If the input read set is less than the specified value, this setting will have no effect. _Modified from [Filtlong documentation](https://github.com/rrwick/Filtlong)_\n\n> Modifies tool parameter(s):\n> - Filtlong: `--keep_percent`"
-        }
-      },
-      "fa_icon": "fas fa-expand-alt"
-    },
-    "preprocessing_host_removal_options": {
-      "title": "Preprocessing host removal options",
-      "type": "object",
-      "description": "Options for pre-profiling host read removal",
-      "default": "",
-      "properties": {
-        "perform_shortread_hostremoval": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turn on short-read host removal",
-          "help_text": "Turns on the ability to remove short-reads from the that derived from a known organism, using Bowtie2 and samtools\n\nThis subworkflow is useful to remove reads that may come from a host, or a known contamination like the human reference genome. Human DNA contamination of (microbial) reference genomes is well known, so removal of these prior profiling both reduces the risks of false positives, and in _some cases_ a faster runtime (as less reads need to be profiled).\n\nAlternatively, you can include the reference genome within your profiling databases and can turn off this subworkflow, with the trade off of a larger taxonomic profiling database."
-        },
-        "perform_longread_hostremoval": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turn on long-read host removal",
-          "help_text": "Turns on the ability to remove long-reads from the that derived from a known organism, using minimap2 and samtools\n\nThis subworkflow is useful to remove reads that may come from a host, or a known contamination like the human reference genome. Human DNA contamination of (microbial) reference genomes is well known, so removal of these prior profiling both reduces the risks of false positives, and in _some cases_ a faster runtime (as less reads need to be profiled).\n\nAlternatively, you can include the reference genome within your profiling databases and can turn off this subworkflow, with the trade off of a larger taxonomic profiling database."
-        },
-        "hostremoval_reference": {
-          "type": "string",
-          "default": "None",
-          "fa_icon": "fas fa-file-alt",
-          "description": "Specify path to single reference FASTA of host(s) genome(s)",
-          "help_text": "Specify a path to the FASTA file (optionally gzipped) of the reference genome of the organism to be removed.\n\nIf you have two or more host organisms or contaminants you wish to remove, you can concatenate the FASTAs of the different taxa into a single one to provide to the pipeline."
-        },
-        "shortread_hostremoval_index": {
-          "type": "string",
-          "default": "None",
-          "fa_icon": "fas fa-address-book",
-          "description": "Specify path to the directory containing pre-made BowTie2 indexes of the host removal reference",
-          "help_text": "Specify the path to a _directory_ containing pre-made Bowtie2 reference index files (i.e. the directory containing `.bt1`, `.bt2` files etc.). These should sit in the same directory alongside the the reference file specified in `--hostremoval_reference`.\n\nSpecifying premade indices can speed up runtime of the host-removal step, however if not supplied the pipeline will generate the indices for you."
-        },
-        "longread_hostremoval_index": {
-          "type": "string",
-          "default": "None",
-          "fa_icon": "fas fa-address-book",
-          "description": "Specify path to a pre-made Minimap2 index file (.mmi) of the host removal reference",
-          "help_text": "Specify path to a pre-made Minimap2 index file (.mmi) of the host removal reference file given to `--hostremoval_reference`.\n\nSpecifying a premade index file can speed up runtime of the host-removal step, however if not supplied the pipeline will generate the indices for you."
-        },
-        "save_hostremoval_index": {
-          "type": "boolean",
-          "fa_icon": "fas fa-save",
-          "description": "Save mapping index of input reference when not already supplied by user",
-          "help_text": "Save the output files of the in-built indexing of the host genome.\n\nThis is recommend to be turned on if you plan to use the same reference genome multiple times, as supplying the directory or file to `--shortread_hostremoval_index` or `--longread_hostremoval_index` respectively can speed up runtime of future runs. Once generated, we recommend you place this file _outside_ of your run results directory in a central 'cache' directory you and others using your machine can access and supply to the pipeline."
-        },
-        "save_hostremoval_mapped": {
-          "type": "boolean",
-          "fa_icon": "fas fa-save",
-          "description": "Save mapped reads in BAM format from host removal",
-          "help_text": "Save the reads mapped to the reference genome in BAM format as output by the respective hostremoval alignment tool.\n\nThis can be useful if you wish to perform other analyses on the host organism (such as host-microbe interaction), however, you should consider whether the default mapping parameters of Bowtie2 (short-read) or minimap2 (long-read) are optimised to your context. "
-        },
-        "save_hostremoval_unmapped": {
-          "type": "boolean",
-          "fa_icon": "fas fa-save",
-          "description": "Save unmapped reads in FASTQ format from host removal",
-          "help_text": "Save the unreads mapped to the reference genome in FASTQ format (as exported from `samtools view`).\n\nThis can be useful if you wish to perform other analyses on the off-target reads from the host mapping, such as manual profiling or _de novo_ assembly."
-        }
-      },
-      "fa_icon": "fas fa-user-times"
-    },
-    "preprocessing_run_merging_options": {
-      "title": "Preprocessing run merging options",
-      "type": "object",
-      "description": "Options for per-sample run-merging",
-      "default": "",
-      "properties": {
-        "perform_runmerging": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turn on run merging",
-          "help_text": "Turns on the concatenation of sequencing runs or libraries with the same sample name.\n\nThis can be useful to ensure you get a single profile per sample, rather than one profile per run or library. Note that in some cases comparing profiles of independent _libraries_ may be useful, so this parameter may not always be suitable.  "
-        },
-        "save_runmerged_reads": {
-          "type": "boolean",
-          "fa_icon": "fas fa-save",
-          "description": "Save run-concatenated input FASTQ files for each sample",
-          "help_text": "Save the run- and library-concatenated reads of a given sample in FASTQ format."
-        }
-      },
-      "fa_icon": "fas fa-clipboard-check"
-    },
-    "profiling_options": {
-      "title": "Profiling options",
-      "type": "object",
-      "description": "",
-      "default": "",
-      "properties": {
-        "run_centrifuge": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turn on profiling with Centrifuge. Requires database to be present CSV file passed to --databases"
-        },
-        "centrifuge_save_reads": {
-          "type": "boolean",
-          "fa_icon": "fas fa-save",
-          "description": "Turn on saving of Centrifuge-aligned reads",
-          "help_text": "Save mapped (SAM, FASTQ) and unmapped (FASTQ) reads from alignment step of centrifuge in your output results directory.\n\n> Modifies tool parameter(s):\n> - centrifuge: `--un-gz`, `--al-gz`, `--un-conc-gz`, `--al-conc-gz`, `--out-fmt`"
-        },
-        "run_diamond": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turn on profiling with DIAMOND. Requires database to be present CSV file passed to --databases"
-        },
-        "diamond_output_format": {
-          "type": "string",
-          "default": "tsv",
-          "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"],
-          "fa_icon": "fas fa-file",
-          "description": "Specify output format from DIAMOND profiling.",
-          "help_text": "DIAMOND can produce output in a number of different formats, you can specify here which to produce.\n\nNote that DIAMOND can only produce one format at a time, and depending on which you pick, some downstream steps may not be executed. For example, selecting `daa` or `sam` will mean you will not get a tabular taxonomic profile as with the other tools.\n\nWill be overriden by `--diamond_save_reads.`\n\n> Modifies tool parameter(s):\n> - diamond blastx: `--outfmt`"
-        },
-        "diamond_save_reads": {
-          "type": "boolean",
-          "fa_icon": "fas fa-save",
-          "description": "Turn on saving of DIAMOND-aligned reads. Will override --diamond_output_format and no taxon tables will be generated",
-          "help_text": "Save aligned reads in SAM format from alignment step of DIAMOND in your output results directory.\n\nNote this explicitly overrides `--diamond_output_format` to produce the SAM file, and no taxon table will be generated.\n\n> Modifies tool parameter(s):\n> - DIAMOND: `--outfmt`"
-        },
-        "run_kaiju": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turn on profiling with Kaiju. Requires database to be present CSV file passed to --databases"
-        },
-        "kaiju_taxon_rank": {
-          "type": "string",
-          "default": "species",
-          "enum": ["phylum", "class", "order", "family", "genus", "species"],
-          "fa_icon": "fas fa-tag",
-          "description": "Specify taxonomic rank to be displayed in Kaiju taxon table",
-          "help_text": "Specify the taxonomic level(s) to be displayed in the resulting Kaiju taxon table, as generated by the kaiju2table helper tool.\n\nThis can be either a single level (e.g. `species`), or a comma separated list to display the full taxonomic path (e.g. `superkingdom,phylum,class,order,family,genus,species.`).\n\n> Modifies tool parameter(s):\n> - kaiju2table: `-l`"
-        },
-        "run_kraken2": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turn on profiling with Kraken2. Requires database to be present CSV file passed to --databases"
-        },
-        "kraken2_save_reads": {
-          "type": "boolean",
-          "fa_icon": "fas fa-save",
-          "description": "Turn on saving of Kraken2-aligned reads",
-          "help_text": "Save reads that do and do not have a taxonomic classification in your output results directory in FASTQ format.\n\n> Modifies tool parameter(s):\n> - kraken2: `--classified-out` and `--unclassified-out`"
-        },
-        "kraken2_save_readclassification": {
-          "type": "boolean",
-          "fa_icon": "fas fa-save",
-          "description": "Turn on saving of Kraken2 per-read taxonomic assignment file",
-          "help_text": "Save a text file that contains a list of each read that had a taxonomic assignment, with information on specific taxonomic taxonomic assignment that that read recieved.\n\n> Modifies tool parameter(s):\n> - kraken2: `--output`"
-        },
-        "kraken2_save_minimizers": {
-          "type": "boolean",
-          "description": "Turn on saving minimizer information in the kraken2 report thus increasing to an eight column layout.",
-          "fa_icon": "fas fa-save",
-          "help_text": "Turn on saving minimizer information in the kraken2 report thus increasing to an eight column layout.\n\nAdds `--report-minimizer-data` to the kraken2 command."
-        },
-        "run_bracken": {
-          "type": "boolean",
-          "description": "Post-process kraken2 reports with Bracken.",
-          "fa_icon": "fas fa-toggle-on"
-        },
-        "run_malt": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turn on profiling with MALT. Requires database to be present CSV file passed to --databases"
-        },
-        "malt_mode": {
-          "type": "string",
-          "default": "BlastN",
-          "fa_icon": "fas fa-check-square",
-          "description": "Specify which MALT alignment mode to use",
-          "help_text": "Specify which version of MALT alignment to use.\n\nBlastN is generally recommended (nucleotide-nucleotide alignment), but particularly for very short reads (such as aDNA), whereas BlastX mode is similar to DIAMOND and will translate the nucleotide to amino acid sequences. Note each type of alignment mode requires different parameters during database construction. Refer to the MALT manual for more information.\n\n> Modifies tool parameter(s):\n> - malt-run: `-mode` "
-        },
-        "malt_save_reads": {
-          "type": "boolean",
-          "fa_icon": "fas fa-save",
-          "description": "Turn on saving of MALT-aligned reads",
-          "help_text": "Turns on saving of MALT aligned reads in SAM format.\n\nNote that the SAM format produce by MALT is not completely valid, and may not work with downstream tools.\n\n> Modifies tool parameter(s):\n> - malt-run: `--alignments`, `-za`"
-        },
-        "malt_generate_megansummary": {
-          "type": "boolean",
-          "fa_icon": "fas fa-save",
-          "description": "Turn on generation of MEGAN summary file from MALT results",
-          "help_text": "Turns on saving of MALT output in an additional MEGAN summary file (`.megan`) that can be loaded into the MEGAN metagenomic exploration tool.\n\nNote: this file is generated not directly from MALT but rather then MEGAN utility script `rma2info`.\n\n> Modifies tool parameter(s):\n> - rma2info: `-es`"
-        },
-        "run_metaphlan3": {
-          "type": "boolean",
-          "description": "Turn on profiling with MetaPhlAn3. Requires database to be present CSV file passed to --databases",
-          "fa_icon": "fas fa-toggle-on"
-        },
-        "run_motus": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turn on profiling with mOTUs. Requires database to be present CSV file passed to --databases"
-        }
-      },
-      "fa_icon": "fas fa-align-center"
-    },
-    "postprocessing_and_visualisation_options": {
-      "title": "Postprocessing and visualisation options",
-      "type": "object",
-      "description": "",
-      "default": "",
-      "properties": {
-        "run_profile_standardisation": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turn on standardisation of taxon tables across profilers",
-          "help_text": "Turns on standardisation of output OTU tables across all tools; each into a TSV format following the following scheme:\n\n|TAXON   | SAMPLE_A | SAMPLE_B |\n|-------------|----------------|-----------------|\n| taxon_a | 32               | 123             |\n| taxon_b | 1                 | 5                 |\n\nThis currently only is generated for mOTUs."
-        },
-        "generate_biom_output": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turn on generation of BIOM output (currently only applies to mOTUs)",
-          "help_text": "Turn on the saving of the taxonomic output in BIOM format (`.biom`) in the results directory of your pipeline run, instead of the default TSV format.\n\nNote this file is from the output of the `motus merge` command.\n\n> Modifies tool parameter(s):\n> - `-B -o`"
-        },
-        "run_krona": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turn on generation of Krona plots for supported profilers",
-          "help_text": "Turn on the generation of Krona interactive pie-chart HTMLs for a selection of profilers.\n\nThe tools currently supported are:\n\n- centrifuge\n- kraken2\n- kaiju\n- MALT"
-        },
-        "krona_taxonomy_directory": {
-          "type": "string",
-          "default": "None",
-          "fa_icon": "fas fa-folder-open",
-          "description": "Specify path to krona taxonomy directories (required for MALT krona plots)",
-          "help_text": "Specify a path to a Krona taxonomy database directory (i.e. a directory containing a krona generated `.tab` file).\n\nThis is only required for generating Krona plots of MALT output.\n\nNote this taxonomy database must be downloaded and generated with the `updateTaxonomy.sh` script from the krona-tools package."
-        }
-      },
-      "fa_icon": "fas fa-chart-line"
-    },
-    "institutional_config_options": {
-      "title": "Institutional config options",
-      "type": "object",
-      "fa_icon": "fas fa-university",
-      "description": "Parameters used to describe centralised config profiles. These should not be edited.",
-      "help_text": "The centralised nf-core configuration profiles use a handful of pipeline parameters to describe themselves. This information is then printed to the Nextflow log when you run a pipeline. You should not need to change these values when you run a pipeline.",
-      "properties": {
-        "custom_config_version": {
-          "type": "string",
-          "description": "Git commit id for Institutional configs.",
-          "default": "master",
-          "hidden": true,
-          "fa_icon": "fas fa-users-cog"
-        },
-        "custom_config_base": {
-          "type": "string",
-          "description": "Base directory for Institutional configs.",
-          "default": "https://raw.githubusercontent.com/nf-core/configs/master",
-          "hidden": true,
-          "help_text": "If you're running offline, Nextflow will not be able to fetch the institutional config files from the internet. If you don't need them, then this is not a problem. If you do need them, you should download the files from the repo and tell Nextflow where to find them with this parameter.",
-          "fa_icon": "fas fa-users-cog"
-        },
-        "config_profile_name": {
-          "type": "string",
-          "description": "Institutional config name.",
-          "hidden": true,
-          "fa_icon": "fas fa-users-cog"
-        },
-        "config_profile_description": {
-          "type": "string",
-          "description": "Institutional config description.",
-          "hidden": true,
-          "fa_icon": "fas fa-users-cog"
-        },
-        "config_profile_contact": {
-          "type": "string",
-          "description": "Institutional config contact information.",
-          "hidden": true,
-          "fa_icon": "fas fa-users-cog"
-        },
-        "config_profile_url": {
-          "type": "string",
-          "description": "Institutional config URL link.",
-          "hidden": true,
-          "fa_icon": "fas fa-users-cog"
+    "$schema": "http://json-schema.org/draft-07/schema",
+    "$id": "https://raw.githubusercontent.com/nf-core/taxprofiler/master/nextflow_schema.json",
+    "title": "nf-core/taxprofiler pipeline parameters",
+    "description": "Taxonomic profiling of shotgun metagenomic data",
+    "type": "object",
+    "definitions": {
+        "input_output_options": {
+            "title": "Input/output options",
+            "type": "object",
+            "fa_icon": "fas fa-terminal",
+            "description": "Define where the pipeline should find input data and save output data.",
+            "required": ["input", "databases", "outdir"],
+            "properties": {
+                "input": {
+                    "type": "string",
+                    "format": "file-path",
+                    "mimetype": "text/csv",
+                    "pattern": "^\\S+\\.(csv|yaml|yml)$",
+                    "schema": "assets/schema_input.json",
+                    "description": "Path to comma-separated file containing information about the samples and libraries/runs.",
+                    "help_text": "You will need to create a design file with information about the samples and libraries/runs you want to running in your pipeline run. Use this parameter to specify its location. It has to be a comma-separated file with 6 columns, and a header row. See [usage docs](https://nf-co.re/taxprofiler/usage#samplesheet-input).",
+                    "fa_icon": "fas fa-file-csv"
+                },
+                "databases": {
+                    "type": "string",
+                    "mimetype": "text/csv",
+                    "format": "file-path",
+                    "fa_icon": "fas fa-database",
+                    "description": "Path to comma-separated file containing information about databases and profiling parameters for each taxonomic profiler",
+                    "help_text": "You will need to create a design file with information about the samples in your experiment before running the pipeline. Use this parameter to specify its location. It has to be a comma-separated file with 4 columns, and a header row. See [usage docs](https://nf-co.re/taxprofiler/dev/usage#full-database-sheet).\n\nProfilers will only be executed if a corresponding  database are supplied. \n\nWe recommend storing this database sheet somewhere centrally and accessible by others members of your lab/institutions, as this file will likely be regularly reused."
+                },
+                "outdir": {
+                    "type": "string",
+                    "format": "directory-path",
+                    "description": "The output directory where the results will be saved. You have to use absolute paths to storage on Cloud infrastructure.",
+                    "fa_icon": "fas fa-folder-open"
+                },
+                "email": {
+                    "type": "string",
+                    "description": "Email address for completion summary.",
+                    "fa_icon": "fas fa-envelope",
+                    "help_text": "Set this parameter to your e-mail address to get a summary e-mail with details of the run sent to you when the workflow exits. If set in your user config file (`~/.nextflow/config`) then you don't need to specify this on the command line for every run.",
+                    "pattern": "^([a-zA-Z0-9_\\-\\.]+)@([a-zA-Z0-9_\\-\\.]+)\\.([a-zA-Z]{2,5})$"
+                },
+                "multiqc_title": {
+                    "type": "string",
+                    "description": "MultiQC report title. Printed as page header, used for filename if not otherwise specified.",
+                    "fa_icon": "fas fa-file-signature"
+                }
+            }
+        },
+        "preprocessing_general_qc_options": {
+            "title": "Preprocessing general QC options",
+            "type": "object",
+            "description": "Common options across both long and short read preprocessing QC steps",
+            "default": "",
+            "properties": {
+                "save_preprocessed_reads": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Save reads from adapter clipping/pair-merging, length filtering for both short and long reads",
+                    "help_text": "This saves the FASTQ output from the following tools:\n\n- fastp\n- AdapterRemoval\n- Porechop\n- Filtlong\n\nThese reads will be a mixture of: adapter clipped, quality trimmed, pair-merged, and length filtered, depending on the parameters you set."
+                }
+            },
+            "fa_icon": "fas fa-users-cog"
+        },
+        "preprocessing_short_read_qc_options": {
+            "title": "Preprocessing short-read QC options",
+            "type": "object",
+            "description": "Options for adapter clipping, quality trimming, pair-merging, and complexity filtering",
+            "default": "",
+            "properties": {
+                "perform_shortread_qc": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turns on short read quality control steps (adapter clipping, complexity filtering etc.)",
+                    "help_text": "Turns on short read quality control steps (adapter clipping, complexity filtering etc.)\n\nThis subworkflow can perform:\n\n- Adapter removal\n- Read quality trimming\n- Read pair merging\n- Length filtering\n- Complexity filtering\n\nEither with fastp or AdapterRemoval.\n\nRemoving adapters (if present) is recommend to reduce false-postive hits that may occur from 'dirty' or 'contaminated' reference genomes in a profiling database that contain accidentially incorporated adapter sequences. Note that some, but not all, tools support paired-end alignment (utilising information about the insert covered by the pairs). However read pair merging in some cases can be recommend to increase read length (such as in aDNA). Length filtering, and/or complexity can speed up alignment by reducing the number of short unspecific reads that need to be aligned."
+                },
+                "shortread_qc_tool": {
+                    "type": "string",
+                    "default": "fastp",
+                    "enum": ["fastp", "adapterremoval"],
+                    "fa_icon": "fas fa-tools",
+                    "description": "Specify which tool to use for short-read QC"
+                },
+                "shortread_qc_skipadaptertrim": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-forward",
+                    "description": "Skip adapter trimming",
+                    "help_text": "Skip the removal of sequencing adapters. \n\nThis often can be useful to speed up run-time of the pipeline when analysing data downloaded from public databases such as the ENA or SRA, as adapters should already be removed (however we recommend to check FastQC results to ensure this is the case)."
+                },
+                "shortread_qc_adapter1": {
+                    "type": "string",
+                    "default": "None",
+                    "fa_icon": "fas fa-grip-lines",
+                    "description": "Specify adapter 1 nucleotide sequence",
+                    "help_text": "Specify a custom forward or R1 adapter sequence to be removed from reads. \n\nIf not set, the selected short-read QC tool's defaults will be used.\n\n> Modifies tool parameter(s):\n> - fastp: `--adapter_sequence`. fastp default: `AGATCGGAAGAGCACACGTCTGAACTCCAGTCA`\n> - AdapterRemoval: `--adapter1`. AdapteRemoval2 default: `AGATCGGAAGAGCACACGTCTGAACTCCAGTCACNNNNNNATCTCGTATGCCGTCTTCTGCTTG`"
+                },
+                "shortread_qc_adapter2": {
+                    "type": "string",
+                    "default": "None",
+                    "fa_icon": "fas fa-grip-lines",
+                    "description": "Specify adapter 2 nucleotide sequence",
+                    "help_text": "Specify a custom reverse or R2 adapter sequence to be removed from reads. \n\nIf not set, the selected short-read QC tool's defaults will be used.\n\n> Modifies tool parameter(s):\n> - fastp: `--adapter_sequence`. fastp default: `AGATCGGAAGAGCGTCGTGTAGGGAAAGAGTGT`\n> - AdapterRemoval: `--adapter1`. AdapteRemoval2 default: `AGATCGGAAGAGCGTCGTGTAGGGAAAGAGTGTAGATCTCGGTGGTCGCCGTATCATT`"
+                },
+                "shortread_qc_adapterlist": {
+                    "type": "string",
+                    "default": "None",
+                    "description": "Specify a list of all possible adapters to trim. Overrides --shortread_qc_adapter1/2. Formats: .txt (AdapterRemoval) or .fasta. (fastp).",
+                    "help_text": "Allows to supply a file with a list of adapter (combinations) to remove from all files. \n\nOverrides the --shortread_qc_adapter1/--shortread_qc_adapter2 parameters . \n\nFor AdapterRemoval this consists of a two column table with a `.txt` extension: first column represents forward strand, second column for reverse strand. You must supply all possible combinations, one per line, and this list is applied to all files. See AdapterRemoval documentation for more information.\n\nFor fastp this consists of a standard FASTA format with a `.fasta`/`.fa`/`.fna`/`.fas` extension. The adapter sequence in this file should be at least 6bp long, otherwise it will be skipped. fastp trims the adapters present in the FASTA file one by one.\n\n> Modifies AdapterRemoval parameter: --adapter-list\n> Modifies fastp parameter: --adapter_fasta"
+                },
+                "shortread_qc_mergepairs": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on merging of read pairs for paired-end data",
+                    "default": true,
+                    "help_text": "Turn on the merging of read-pairs of paired-end short read sequencing data for AdapterRemoval (this is performed automatically with fastp).\n\n> Modifies tool parameter(s):\n> - AdapterRemoval: `--collapse`\n"
+                },
+                "shortread_qc_excludeunmerged": {
+                    "type": "boolean",
+                    "fa_icon": "far fa-times-circle",
+                    "description": "Discard unmerged reads from paired-end merging",
+                    "help_text": "Turns off the inclusion of unmerged reads in resulting processing FASTQ file of paired-end sequencing data when using `fastp`.\n\nThis can be useful in cases where you prefer to have very short reads (e.g. aDNA), thus excluding longer-reads or possibly faulty reads where one of the pair was discarded.\n\n> Modifies tool parameter(s):\n> - removed from reads `--include_unmerged`\n"
+                },
+                "shortread_qc_minlength": {
+                    "type": "integer",
+                    "default": 15,
+                    "fa_icon": "fas fa-ruler-horizontal",
+                    "description": "Specify the minimum length of reads to be retained",
+                    "help_text": "Specifying a mimum read length filtering can speed up profiling by reducing the number of short unspecific reads that need to be match/aligned to the database.\n\n> Modifies tool parameter(s):\n> - removed from reads `--length_required`\n> - AdapterRemoval: `--minlength`"
+                },
+                "perform_shortread_complexityfilter": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turns on nucleotide sequence complexity filtering",
+                    "help_text": "Turns on sequencing complexity filtering. Complexity filtering can be useful to increase run-time by removing unspecific read sequences that do not provide any informative taxon ID."
+                },
+                "shortread_complexityfilter_tool": {
+                    "type": "string",
+                    "default": "bbduk",
+                    "enum": ["bbduk", "prinseqplusplus", "fastp"],
+                    "fa_icon": "fas fa-hammer",
+                    "description": "Specify which tool to use for complexity filtering"
+                },
+                "shortread_complexityfilter_entropy": {
+                    "type": "number",
+                    "default": 0.3,
+                    "fa_icon": "fas fa-random",
+                    "description": "Specify the minimum sequence entropy level for complexity filtering",
+                    "help_text": "Specify the minimum 'entropy' value for complexity filtering for BBDuk or PRINSEQ++.\n\nNote that this value will only be used for PRINSEQ++ if `--shortread_complexityfilter_prinseqplusplus_mode` is set to `entropy`.\n\nEntropy here corresponds to the amount of sequence variation exists within the read. Higher values correspond to more variety, and thus will likely reslut in more specific matching to a taxon's reference genome. The trade off here is fewer reads (or abundance information) available for having a confident identification.\n\n\n> Modifies tool parameter(s):\n> - BBDuk: `entropy=`\n> - PRINSEQ++:  `-lc_entropy`\n\n"
+                },
+                "shortread_complexityfilter_bbduk_windowsize": {
+                    "type": "integer",
+                    "default": 50,
+                    "fa_icon": "far fa-window-maximize",
+                    "description": "Specify the window size for BBDuk complexity filtering",
+                    "help_text": "Specify the window size to calculate the level entropy within for BBDuk.\n\n> Modifies tool parameter(s):\n> - BBDuk: `entropywindow=`"
+                },
+                "shortread_complexityfilter_bbduk_mask": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-mask",
+                    "description": "Turn on masking rather than discarding of low complexity reads for BBduk",
+                    "help_text": "Turn on masking of low-complexity reads (i.e., replacement with `N`) rather than removal.\n\n> Modifies tool parameter(s)\n> - BBDuk: `entropymask=`"
+                },
+                "shortread_complexityfilter_fastp_threshold": {
+                    "type": "integer",
+                    "default": 30,
+                    "fa_icon": "fas fa-sort-numeric-down",
+                    "description": "Specify the minimum complexity filter threshold of fastp",
+                    "help_text": "Specify the minimum sequence complexity value for fastp. This value corresponds to the percentage of bases that is different from it's adjacent bases.\n\n> Modifies tool parameter(s):\n> - removed from reads `--complexity_threshold`"
+                },
+                "shortread_complexityfilter_prinseqplusplus_mode": {
+                    "type": "string",
+                    "default": "entropy",
+                    "enum": ["entropy", "dust"],
+                    "fa_icon": "fas fa-check-square",
+                    "description": "Specify the complexity filter mode for PRINSEQ++"
+                },
+                "shortread_complexityfilter_prinseqplusplus_dustscore": {
+                    "type": "number",
+                    "default": 0.5,
+                    "fa_icon": "fas fa-head-side-mask",
+                    "description": "Specify the minimum dust score for PRINTSEQ++ complexity filtering",
+                    "help_text": "Specify the minimum dust score below which low-complexity reads will be removed. A DUST score is based on how often different tri-nucleotides occur along a read.\n\n> Modifies tool parameter(s):\n> - PRINSEQ++: `--lc_dust`"
+                },
+                "save_complexityfiltered_reads": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Save complexity filtered short-reads",
+                    "help_text": "Specify whether to save the final complexity filtered reads in your results directory (`--outdir`)."
+                }
+            },
+            "fa_icon": "fas fa-compress-alt"
+        },
+        "preprocessing_long_read_qc_options": {
+            "title": "Preprocessing long-read QC options",
+            "type": "object",
+            "description": "Options for adapter clipping, quality trimming, and length filtering",
+            "default": "",
+            "properties": {
+                "perform_longread_qc": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turns on long read quality control steps (adapter clipping, length filtering etc.)",
+                    "help_text": "Turns on long read quality control steps (adapter clipping, length and/or quality filtering.)\n\nRemoving adapters (if present) is recommend to reduce false-postive hits that may occur from 'dirty' or 'contaminated' reference genomes in a profiling database that contain accidentially incorporated adapter sequences.\n\nLength filtering, and quality filtering can speed up alignment by reducing the number of unspecific reads that need to be aligned."
+                },
+                "longread_qc_skipadaptertrim": {
+                    "type": "boolean",
+                    "description": "Skip long-read trimming",
+                    "fa_icon": "fas fa-forward",
+                    "help_text": "Skip removal of adapters by Porechop. This can be useful in some cases to speed up run time - particularly when you are running data downloading from public databases such as the ENA/SRA that should already have adapters removed. We recommend that you check your FastQC results this is indeed the case."
+                },
+                "longread_qc_skipqualityfilter": {
+                    "type": "boolean",
+                    "description": "Skip long-read length and quality filtering",
+                    "fa_icon": "fas fa-forward",
+                    "help_text": "Skip removal of quality filtering with Filtlong. This will skip length, percent reads, and target bases filtering (see other `--longread_qc_qualityfilter_*` parameters)."
+                },
+                "longread_qc_qualityfilter_minlength": {
+                    "type": "integer",
+                    "default": 1000,
+                    "description": "Specify the minimum length of reads to be retained",
+                    "fa_icon": "fas fa-ruler-horizontal",
+                    "help_text": "Specify the minimum of length of reads to be kept for downstream analysis.\n\n> Modifies tool parameter(s):\n> - Filtlong: `--min_length`"
+                },
+                "longread_qc_qualityfilter_keeppercent": {
+                    "type": "integer",
+                    "default": 90,
+                    "description": "Specify the percent of high-quality bases to be retained",
+                    "fa_icon": "fas fa-percentage",
+                    "help_text": "Throw out the remaining percentage of reads outside the value. This is measured by bp, not by read count. So this option throws out the worst e.g. 10% of read bases if the parameter is set to `90`.  _Modified from [Filtlong documentation](https://github.com/rrwick/Filtlong)_\n\n> Modifies tool parameter(s):\n> - Filtlong: `--keep_percent`"
+                },
+                "longread_qc_qualityfilter_targetbases": {
+                    "type": "integer",
+                    "default": 500000000,
+                    "description": "Specify the number of high-quality bases in the library to be retained",
+                    "fa_icon": "fas fa-bullseye",
+                    "help_text": "Removes the worst reads until only the specified value of bases remain, useful for very large read sets. If the input read set is less than the specified value, this setting will have no effect. _Modified from [Filtlong documentation](https://github.com/rrwick/Filtlong)_\n\n> Modifies tool parameter(s):\n> - Filtlong: `--keep_percent`"
+                }
+            },
+            "fa_icon": "fas fa-expand-alt"
+        },
+        "preprocessing_host_removal_options": {
+            "title": "Preprocessing host removal options",
+            "type": "object",
+            "description": "Options for pre-profiling host read removal",
+            "default": "",
+            "properties": {
+                "perform_shortread_hostremoval": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on short-read host removal",
+                    "help_text": "Turns on the ability to remove short-reads from the that derived from a known organism, using Bowtie2 and samtools\n\nThis subworkflow is useful to remove reads that may come from a host, or a known contamination like the human reference genome. Human DNA contamination of (microbial) reference genomes is well known, so removal of these prior profiling both reduces the risks of false positives, and in _some cases_ a faster runtime (as less reads need to be profiled).\n\nAlternatively, you can include the reference genome within your profiling databases and can turn off this subworkflow, with the trade off of a larger taxonomic profiling database."
+                },
+                "perform_longread_hostremoval": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on long-read host removal",
+                    "help_text": "Turns on the ability to remove long-reads from the that derived from a known organism, using minimap2 and samtools\n\nThis subworkflow is useful to remove reads that may come from a host, or a known contamination like the human reference genome. Human DNA contamination of (microbial) reference genomes is well known, so removal of these prior profiling both reduces the risks of false positives, and in _some cases_ a faster runtime (as less reads need to be profiled).\n\nAlternatively, you can include the reference genome within your profiling databases and can turn off this subworkflow, with the trade off of a larger taxonomic profiling database."
+                },
+                "hostremoval_reference": {
+                    "type": "string",
+                    "default": "None",
+                    "fa_icon": "fas fa-file-alt",
+                    "description": "Specify path to single reference FASTA of host(s) genome(s)",
+                    "help_text": "Specify a path to the FASTA file (optionally gzipped) of the reference genome of the organism to be removed.\n\nIf you have two or more host organisms or contaminants you wish to remove, you can concatenate the FASTAs of the different taxa into a single one to provide to the pipeline."
+                },
+                "shortread_hostremoval_index": {
+                    "type": "string",
+                    "default": "None",
+                    "fa_icon": "fas fa-address-book",
+                    "description": "Specify path to the directory containing pre-made BowTie2 indexes of the host removal reference",
+                    "help_text": "Specify the path to a _directory_ containing pre-made Bowtie2 reference index files (i.e. the directory containing `.bt1`, `.bt2` files etc.). These should sit in the same directory alongside the the reference file specified in `--hostremoval_reference`.\n\nSpecifying premade indices can speed up runtime of the host-removal step, however if not supplied the pipeline will generate the indices for you."
+                },
+                "longread_hostremoval_index": {
+                    "type": "string",
+                    "default": "None",
+                    "fa_icon": "fas fa-address-book",
+                    "description": "Specify path to a pre-made Minimap2 index file (.mmi) of the host removal reference",
+                    "help_text": "Specify path to a pre-made Minimap2 index file (.mmi) of the host removal reference file given to `--hostremoval_reference`.\n\nSpecifying a premade index file can speed up runtime of the host-removal step, however if not supplied the pipeline will generate the indices for you."
+                },
+                "save_hostremoval_index": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Save mapping index of input reference when not already supplied by user",
+                    "help_text": "Save the output files of the in-built indexing of the host genome.\n\nThis is recommend to be turned on if you plan to use the same reference genome multiple times, as supplying the directory or file to `--shortread_hostremoval_index` or `--longread_hostremoval_index` respectively can speed up runtime of future runs. Once generated, we recommend you place this file _outside_ of your run results directory in a central 'cache' directory you and others using your machine can access and supply to the pipeline."
+                },
+                "save_hostremoval_mapped": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Save mapped reads in BAM format from host removal",
+                    "help_text": "Save the reads mapped to the reference genome in BAM format as output by the respective hostremoval alignment tool.\n\nThis can be useful if you wish to perform other analyses on the host organism (such as host-microbe interaction), however, you should consider whether the default mapping parameters of Bowtie2 (short-read) or minimap2 (long-read) are optimised to your context. "
+                },
+                "save_hostremoval_unmapped": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Save unmapped reads in FASTQ format from host removal",
+                    "help_text": "Save the unreads mapped to the reference genome in FASTQ format (as exported from `samtools view`).\n\nThis can be useful if you wish to perform other analyses on the off-target reads from the host mapping, such as manual profiling or _de novo_ assembly."
+                }
+            },
+            "fa_icon": "fas fa-user-times"
+        },
+        "preprocessing_run_merging_options": {
+            "title": "Preprocessing run merging options",
+            "type": "object",
+            "description": "Options for per-sample run-merging",
+            "default": "",
+            "properties": {
+                "perform_runmerging": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on run merging",
+                    "help_text": "Turns on the concatenation of sequencing runs or libraries with the same sample name.\n\nThis can be useful to ensure you get a single profile per sample, rather than one profile per run or library. Note that in some cases comparing profiles of independent _libraries_ may be useful, so this parameter may not always be suitable.  "
+                },
+                "save_runmerged_reads": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Save run-concatenated input FASTQ files for each sample",
+                    "help_text": "Save the run- and library-concatenated reads of a given sample in FASTQ format."
+                }
+            },
+            "fa_icon": "fas fa-clipboard-check"
+        },
+        "profiling_options": {
+            "title": "Profiling options",
+            "type": "object",
+            "description": "",
+            "default": "",
+            "properties": {
+                "run_centrifuge": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on profiling with Centrifuge. Requires database to be present CSV file passed to --databases"
+                },
+                "centrifuge_save_reads": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Turn on saving of Centrifuge-aligned reads",
+                    "help_text": "Save mapped (SAM, FASTQ) and unmapped (FASTQ) reads from alignment step of centrifuge in your output results directory.\n\n> Modifies tool parameter(s):\n> - centrifuge: `--un-gz`, `--al-gz`, `--un-conc-gz`, `--al-conc-gz`, `--out-fmt`"
+                },
+                "run_diamond": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on profiling with DIAMOND. Requires database to be present CSV file passed to --databases"
+                },
+                "diamond_output_format": {
+                    "type": "string",
+                    "default": "tsv",
+                    "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"],
+                    "fa_icon": "fas fa-file",
+                    "description": "Specify output format from DIAMOND profiling.",
+                    "help_text": "DIAMOND can produce output in a number of different formats, you can specify here which to produce.\n\nNote that DIAMOND can only produce one format at a time, and depending on which you pick, some downstream steps may not be executed. For example, selecting `daa` or `sam` will mean you will not get a tabular taxonomic profile as with the other tools.\n\nWill be overriden by `--diamond_save_reads.`\n\n> Modifies tool parameter(s):\n> - diamond blastx: `--outfmt`"
+                },
+                "diamond_save_reads": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Turn on saving of DIAMOND-aligned reads. Will override --diamond_output_format and no taxon tables will be generated",
+                    "help_text": "Save aligned reads in SAM format from alignment step of DIAMOND in your output results directory.\n\nNote this explicitly overrides `--diamond_output_format` to produce the SAM file, and no taxon table will be generated.\n\n> Modifies tool parameter(s):\n> - DIAMOND: `--outfmt`"
+                },
+                "run_kaiju": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on profiling with Kaiju. Requires database to be present CSV file passed to --databases"
+                },
+                "kaiju_taxon_rank": {
+                    "type": "string",
+                    "default": "species",
+                    "enum": ["phylum", "class", "order", "family", "genus", "species"],
+                    "fa_icon": "fas fa-tag",
+                    "description": "Specify taxonomic rank to be displayed in Kaiju taxon table",
+                    "help_text": "Specify the taxonomic level(s) to be displayed in the resulting Kaiju taxon table, as generated by the kaiju2table helper tool.\n\nThis can be either a single level (e.g. `species`), or a comma separated list to display the full taxonomic path (e.g. `superkingdom,phylum,class,order,family,genus,species.`).\n\n> Modifies tool parameter(s):\n> - kaiju2table: `-l`"
+                },
+                "run_kraken2": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on profiling with Kraken2. Requires database to be present CSV file passed to --databases"
+                },
+                "kraken2_save_reads": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Turn on saving of Kraken2-aligned reads",
+                    "help_text": "Save reads that do and do not have a taxonomic classification in your output results directory in FASTQ format.\n\n> Modifies tool parameter(s):\n> - kraken2: `--classified-out` and `--unclassified-out`"
+                },
+                "kraken2_save_readclassification": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Turn on saving of Kraken2 per-read taxonomic assignment file",
+                    "help_text": "Save a text file that contains a list of each read that had a taxonomic assignment, with information on specific taxonomic taxonomic assignment that that read recieved.\n\n> Modifies tool parameter(s):\n> - kraken2: `--output`"
+                },
+                "kraken2_save_minimizers": {
+                    "type": "boolean",
+                    "description": "Turn on saving minimizer information in the kraken2 report thus increasing to an eight column layout.",
+                    "fa_icon": "fas fa-save",
+                    "help_text": "Turn on saving minimizer information in the kraken2 report thus increasing to an eight column layout.\n\nAdds `--report-minimizer-data` to the kraken2 command."
+                },
+                "run_bracken": {
+                    "type": "boolean",
+                    "description": "Post-process kraken2 reports with Bracken.",
+                    "fa_icon": "fas fa-toggle-on"
+                },
+                "run_malt": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on profiling with MALT. Requires database to be present CSV file passed to --databases"
+                },
+                "malt_mode": {
+                    "type": "string",
+                    "default": "BlastN",
+                    "fa_icon": "fas fa-check-square",
+                    "description": "Specify which MALT alignment mode to use",
+                    "help_text": "Specify which version of MALT alignment to use.\n\nBlastN is generally recommended (nucleotide-nucleotide alignment), but particularly for very short reads (such as aDNA), whereas BlastX mode is similar to DIAMOND and will translate the nucleotide to amino acid sequences. Note each type of alignment mode requires different parameters during database construction. Refer to the MALT manual for more information.\n\n> Modifies tool parameter(s):\n> - malt-run: `-mode` "
+                },
+                "malt_save_reads": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Turn on saving of MALT-aligned reads",
+                    "help_text": "Turns on saving of MALT aligned reads in SAM format.\n\nNote that the SAM format produce by MALT is not completely valid, and may not work with downstream tools.\n\n> Modifies tool parameter(s):\n> - malt-run: `--alignments`, `-za`"
+                },
+                "malt_generate_megansummary": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Turn on generation of MEGAN summary file from MALT results",
+                    "help_text": "Turns on saving of MALT output in an additional MEGAN summary file (`.megan`) that can be loaded into the MEGAN metagenomic exploration tool.\n\nNote: this file is generated not directly from MALT but rather then MEGAN utility script `rma2info`.\n\n> Modifies tool parameter(s):\n> - rma2info: `-es`"
+                },
+                "run_metaphlan3": {
+                    "type": "boolean",
+                    "description": "Turn on profiling with MetaPhlAn3. Requires database to be present CSV file passed to --databases",
+                    "fa_icon": "fas fa-toggle-on"
+                },
+                "run_motus": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on profiling with mOTUs. Requires database to be present CSV file passed to --databases"
+                }
+            },
+            "fa_icon": "fas fa-align-center"
+        },
+        "postprocessing_and_visualisation_options": {
+            "title": "Postprocessing and visualisation options",
+            "type": "object",
+            "description": "",
+            "default": "",
+            "properties": {
+                "run_profile_standardisation": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on standardisation of taxon tables across profilers",
+                    "help_text": "Turns on standardisation of output OTU tables across all tools; each into a TSV format following the following scheme:\n\n|TAXON   | SAMPLE_A | SAMPLE_B |\n|-------------|----------------|-----------------|\n| taxon_a | 32               | 123             |\n| taxon_b | 1                 | 5                 |\n\nThis currently only is generated for mOTUs."
+                },
+                "generate_biom_output": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on generation of BIOM output (currently only applies to mOTUs)",
+                    "help_text": "Turn on the saving of the taxonomic output in BIOM format (`.biom`) in the results directory of your pipeline run, instead of the default TSV format.\n\nNote this file is from the output of the `motus merge` command.\n\n> Modifies tool parameter(s):\n> - `-B -o`"
+                },
+                "run_krona": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on generation of Krona plots for supported profilers",
+                    "help_text": "Turn on the generation of Krona interactive pie-chart HTMLs for a selection of profilers.\n\nThe tools currently supported are:\n\n- centrifuge\n- kraken2\n- kaiju\n- MALT"
+                },
+                "krona_taxonomy_directory": {
+                    "type": "string",
+                    "default": "None",
+                    "fa_icon": "fas fa-folder-open",
+                    "description": "Specify path to krona taxonomy directories (required for MALT krona plots)",
+                    "help_text": "Specify a path to a Krona taxonomy database directory (i.e. a directory containing a krona generated `.tab` file).\n\nThis is only required for generating Krona plots of MALT output.\n\nNote this taxonomy database must be downloaded and generated with the `updateTaxonomy.sh` script from the krona-tools package."
+                }
+            },
+            "fa_icon": "fas fa-chart-line"
+        },
+        "institutional_config_options": {
+            "title": "Institutional config options",
+            "type": "object",
+            "fa_icon": "fas fa-university",
+            "description": "Parameters used to describe centralised config profiles. These should not be edited.",
+            "help_text": "The centralised nf-core configuration profiles use a handful of pipeline parameters to describe themselves. This information is then printed to the Nextflow log when you run a pipeline. You should not need to change these values when you run a pipeline.",
+            "properties": {
+                "custom_config_version": {
+                    "type": "string",
+                    "description": "Git commit id for Institutional configs.",
+                    "default": "master",
+                    "hidden": true,
+                    "fa_icon": "fas fa-users-cog"
+                },
+                "custom_config_base": {
+                    "type": "string",
+                    "description": "Base directory for Institutional configs.",
+                    "default": "https://raw.githubusercontent.com/nf-core/configs/master",
+                    "hidden": true,
+                    "help_text": "If you're running offline, Nextflow will not be able to fetch the institutional config files from the internet. If you don't need them, then this is not a problem. If you do need them, you should download the files from the repo and tell Nextflow where to find them with this parameter.",
+                    "fa_icon": "fas fa-users-cog"
+                },
+                "config_profile_name": {
+                    "type": "string",
+                    "description": "Institutional config name.",
+                    "hidden": true,
+                    "fa_icon": "fas fa-users-cog"
+                },
+                "config_profile_description": {
+                    "type": "string",
+                    "description": "Institutional config description.",
+                    "hidden": true,
+                    "fa_icon": "fas fa-users-cog"
+                },
+                "config_profile_contact": {
+                    "type": "string",
+                    "description": "Institutional config contact information.",
+                    "hidden": true,
+                    "fa_icon": "fas fa-users-cog"
+                },
+                "config_profile_url": {
+                    "type": "string",
+                    "description": "Institutional config URL link.",
+                    "hidden": true,
+                    "fa_icon": "fas fa-users-cog"
+                }
+            }
+        },
+        "max_job_request_options": {
+            "title": "Max job request options",
+            "type": "object",
+            "fa_icon": "fab fa-acquisitions-incorporated",
+            "description": "Set the top limit for requested resources for any single job.",
+            "help_text": "If you are running on a smaller system, a pipeline step requesting more resources than are available may cause the Nextflow to stop the run with an error. These options allow you to cap the maximum resources requested by any single job so that the pipeline will run on your system.\n\nNote that you can not _increase_ the resources requested by any job using these options. For that you will need your own configuration file. See [the nf-core website](https://nf-co.re/usage/configuration) for details.",
+            "properties": {
+                "max_cpus": {
+                    "type": "integer",
+                    "description": "Maximum number of CPUs that can be requested for any single job.",
+                    "default": 16,
+                    "fa_icon": "fas fa-microchip",
+                    "hidden": true,
+                    "help_text": "Use to set an upper-limit for the CPU requirement for each process. Should be an integer e.g. `--max_cpus 1`"
+                },
+                "max_memory": {
+                    "type": "string",
+                    "description": "Maximum amount of memory that can be requested for any single job.",
+                    "default": "128.GB",
+                    "fa_icon": "fas fa-memory",
+                    "pattern": "^\\d+(\\.\\d+)?\\.?\\s*(K|M|G|T)?B$",
+                    "hidden": true,
+                    "help_text": "Use to set an upper-limit for the memory requirement for each process. Should be a string in the format integer-unit e.g. `--max_memory '8.GB'`"
+                },
+                "max_time": {
+                    "type": "string",
+                    "description": "Maximum amount of time that can be requested for any single job.",
+                    "default": "240.h",
+                    "fa_icon": "far fa-clock",
+                    "pattern": "^(\\d+\\.?\\s*(s|m|h|day)\\s*)+$",
+                    "hidden": true,
+                    "help_text": "Use to set an upper-limit for the time requirement for each process. Should be a string in the format integer-unit e.g. `--max_time '2.h'`"
+                }
+            }
+        },
+        "generic_options": {
+            "title": "Generic options",
+            "type": "object",
+            "fa_icon": "fas fa-file-import",
+            "description": "Less common options for the pipeline, typically set in a config file.",
+            "help_text": "These options are common to all nf-core pipelines and allow you to customise some of the core preferences for how the pipeline runs.\n\nTypically these options would be set in a Nextflow config file loaded for all pipeline runs, such as `~/.nextflow/config`.",
+            "properties": {
+                "help": {
+                    "type": "boolean",
+                    "description": "Display help text.",
+                    "fa_icon": "fas fa-question-circle",
+                    "hidden": true
+                },
+                "publish_dir_mode": {
+                    "type": "string",
+                    "default": "copy",
+                    "description": "Method used to save pipeline results to output directory.",
+                    "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
+                    "fa_icon": "fas fa-copy",
+                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
+                    "hidden": true
+                },
+                "email_on_fail": {
+                    "type": "string",
+                    "description": "Email address for completion summary, only when pipeline fails.",
+                    "fa_icon": "fas fa-exclamation-triangle",
+                    "pattern": "^([a-zA-Z0-9_\\-\\.]+)@([a-zA-Z0-9_\\-\\.]+)\\.([a-zA-Z]{2,5})$",
+                    "help_text": "An email address to send a summary email to when the pipeline is completed - ONLY sent if the pipeline does not exit successfully.",
+                    "hidden": true
+                },
+                "plaintext_email": {
+                    "type": "boolean",
+                    "description": "Send plain-text email instead of HTML.",
+                    "fa_icon": "fas fa-remove-format",
+                    "hidden": true
+                },
+                "max_multiqc_email_size": {
+                    "type": "string",
+                    "description": "File size limit when attaching MultiQC reports to summary emails.",
+                    "pattern": "^\\d+(\\.\\d+)?\\.?\\s*(K|M|G|T)?B$",
+                    "default": "25.MB",
+                    "fa_icon": "fas fa-file-upload",
+                    "hidden": true
+                },
+                "monochrome_logs": {
+                    "type": "boolean",
+                    "description": "Do not use coloured log outputs.",
+                    "fa_icon": "fas fa-palette",
+                    "hidden": true
+                },
+                "hook_url": {
+                    "type": "string",
+                    "description": "Incoming hook URL for messaging service",
+                    "fa_icon": "fas fa-people-group",
+                    "help_text": "Incoming hook URL for messaging service. Currently, only MS Teams is supported.",
+                    "hidden": true
+                },
+                "multiqc_config": {
+                    "type": "string",
+                    "description": "Custom config file to supply to MultiQC.",
+                    "fa_icon": "fas fa-cog",
+                    "hidden": true
+                },
+                "multiqc_logo": {
+                    "type": "string",
+                    "description": "Custom logo file to supply to MultiQC. File name must also be set in the MultiQC config file",
+                    "fa_icon": "fas fa-image",
+                    "hidden": true
+                },
+                "multiqc_methods_description": {
+                    "type": "string",
+                    "description": "Custom MultiQC yaml file containing HTML including a methods description.",
+                    "fa_icon": "fas fa-cog"
+                },
+                "tracedir": {
+                    "type": "string",
+                    "description": "Directory to keep pipeline Nextflow logs and reports.",
+                    "default": "${params.outdir}/pipeline_info",
+                    "fa_icon": "fas fa-cogs",
+                    "hidden": true
+                },
+                "validate_params": {
+                    "type": "boolean",
+                    "description": "Boolean whether to validate parameters against the schema at runtime",
+                    "default": true,
+                    "fa_icon": "fas fa-check-square",
+                    "hidden": true
+                },
+                "show_hidden_params": {
+                    "type": "boolean",
+                    "fa_icon": "far fa-eye-slash",
+                    "description": "Show all params when using `--help`",
+                    "hidden": true,
+                    "help_text": "By default, parameters set as _hidden_ in the schema are not shown on the command line when a user runs with `--help`. Specifying this option will tell the pipeline to show all parameters."
+                },
+                "enable_conda": {
+                    "type": "boolean",
+                    "description": "Run this workflow with Conda. You can also use '-profile conda' instead of providing this parameter.",
+                    "hidden": true,
+                    "fa_icon": "fas fa-bacon"
+                }
+            }
+        },
+        "reference_genome_options": {
+            "title": "Reference genome options",
+            "type": "object",
+            "fa_icon": "fas fa-dna",
+            "description": "Reference genome related files and options required for the workflow.",
+            "properties": {
+                "genome": {
+                    "type": "string",
+                    "description": "Name of iGenomes reference.",
+                    "fa_icon": "fas fa-book",
+                    "help_text": "If using a reference genome configured in the pipeline using iGenomes, use this parameter to give the ID for the reference. This is then used to build the full paths for all required reference genome files e.g. `--genome GRCh38`. \n\nSee the [nf-core website docs](https://nf-co.re/usage/reference_genomes) for more details.",
+                    "hidden": true
+                },
+                "igenomes_base": {
+                    "type": "string",
+                    "format": "directory-path",
+                    "description": "Directory / URL base for iGenomes references.",
+                    "default": "s3://ngi-igenomes/igenomes",
+                    "fa_icon": "fas fa-cloud-download-alt",
+                    "hidden": true
+                },
+                "igenomes_ignore": {
+                    "type": "boolean",
+                    "description": "Do not load the iGenomes reference config.",
+                    "fa_icon": "fas fa-ban",
+                    "hidden": true,
+                    "help_text": "Do not load `igenomes.config` when running the pipeline. You may choose this option if you observe clashes between custom parameters and those supplied in `igenomes.config`."
+                }
+            }
         }
-      }
     },
-    "max_job_request_options": {
-      "title": "Max job request options",
-      "type": "object",
-      "fa_icon": "fab fa-acquisitions-incorporated",
-      "description": "Set the top limit for requested resources for any single job.",
-      "help_text": "If you are running on a smaller system, a pipeline step requesting more resources than are available may cause the Nextflow to stop the run with an error. These options allow you to cap the maximum resources requested by any single job so that the pipeline will run on your system.\n\nNote that you can not _increase_ the resources requested by any job using these options. For that you will need your own configuration file. See [the nf-core website](https://nf-co.re/usage/configuration) for details.",
-      "properties": {
-        "max_cpus": {
-          "type": "integer",
-          "description": "Maximum number of CPUs that can be requested for any single job.",
-          "default": 16,
-          "fa_icon": "fas fa-microchip",
-          "hidden": true,
-          "help_text": "Use to set an upper-limit for the CPU requirement for each process. Should be an integer e.g. `--max_cpus 1`"
+    "allOf": [
+        {
+            "$ref": "#/definitions/input_output_options"
         },
-        "max_memory": {
-          "type": "string",
-          "description": "Maximum amount of memory that can be requested for any single job.",
-          "default": "128.GB",
-          "fa_icon": "fas fa-memory",
-          "pattern": "^\\d+(\\.\\d+)?\\.?\\s*(K|M|G|T)?B$",
-          "hidden": true,
-          "help_text": "Use to set an upper-limit for the memory requirement for each process. Should be a string in the format integer-unit e.g. `--max_memory '8.GB'`"
+        {
+            "$ref": "#/definitions/preprocessing_general_qc_options"
         },
-        "max_time": {
-          "type": "string",
-          "description": "Maximum amount of time that can be requested for any single job.",
-          "default": "240.h",
-          "fa_icon": "far fa-clock",
-          "pattern": "^(\\d+\\.?\\s*(s|m|h|day)\\s*)+$",
-          "hidden": true,
-          "help_text": "Use to set an upper-limit for the time requirement for each process. Should be a string in the format integer-unit e.g. `--max_time '2.h'`"
-        }
-      }
-    },
-    "generic_options": {
-      "title": "Generic options",
-      "type": "object",
-      "fa_icon": "fas fa-file-import",
-      "description": "Less common options for the pipeline, typically set in a config file.",
-      "help_text": "These options are common to all nf-core pipelines and allow you to customise some of the core preferences for how the pipeline runs.\n\nTypically these options would be set in a Nextflow config file loaded for all pipeline runs, such as `~/.nextflow/config`.",
-      "properties": {
-        "help": {
-          "type": "boolean",
-          "description": "Display help text.",
-          "fa_icon": "fas fa-question-circle",
-          "hidden": true
-        },
-        "publish_dir_mode": {
-          "type": "string",
-          "default": "copy",
-          "description": "Method used to save pipeline results to output directory.",
-          "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
-          "fa_icon": "fas fa-copy",
-          "enum": [
-            "symlink",
-            "rellink",
-            "link",
-            "copy",
-            "copyNoFollow",
-            "move"
-          ],
-          "hidden": true
-        },
-        "email_on_fail": {
-          "type": "string",
-          "description": "Email address for completion summary, only when pipeline fails.",
-          "fa_icon": "fas fa-exclamation-triangle",
-          "pattern": "^([a-zA-Z0-9_\\-\\.]+)@([a-zA-Z0-9_\\-\\.]+)\\.([a-zA-Z]{2,5})$",
-          "help_text": "An email address to send a summary email to when the pipeline is completed - ONLY sent if the pipeline does not exit successfully.",
-          "hidden": true
+        {
+            "$ref": "#/definitions/preprocessing_short_read_qc_options"
         },
-        "plaintext_email": {
-          "type": "boolean",
-          "description": "Send plain-text email instead of HTML.",
-          "fa_icon": "fas fa-remove-format",
-          "hidden": true
+        {
+            "$ref": "#/definitions/preprocessing_long_read_qc_options"
         },
-        "max_multiqc_email_size": {
-          "type": "string",
-          "description": "File size limit when attaching MultiQC reports to summary emails.",
-          "pattern": "^\\d+(\\.\\d+)?\\.?\\s*(K|M|G|T)?B$",
-          "default": "25.MB",
-          "fa_icon": "fas fa-file-upload",
-          "hidden": true
+        {
+            "$ref": "#/definitions/preprocessing_host_removal_options"
         },
-        "monochrome_logs": {
-          "type": "boolean",
-          "description": "Do not use coloured log outputs.",
-          "fa_icon": "fas fa-palette",
-          "hidden": true
+        {
+            "$ref": "#/definitions/preprocessing_run_merging_options"
         },
-        "hook_url": {
-          "type": "string",
-          "description": "Incoming hook URL for messaging service",
-          "fa_icon": "fas fa-people-group",
-          "help_text": "Incoming hook URL for messaging service. Currently, only MS Teams is supported.",
-          "hidden": true
+        {
+            "$ref": "#/definitions/profiling_options"
         },
-        "multiqc_config": {
-          "type": "string",
-          "description": "Custom config file to supply to MultiQC.",
-          "fa_icon": "fas fa-cog",
-          "hidden": true
+        {
+            "$ref": "#/definitions/postprocessing_and_visualisation_options"
         },
-        "multiqc_logo": {
-          "type": "string",
-          "description": "Custom logo file to supply to MultiQC. File name must also be set in the MultiQC config file",
-          "fa_icon": "fas fa-image",
-          "hidden": true
+        {
+            "$ref": "#/definitions/institutional_config_options"
         },
-        "multiqc_methods_description": {
-          "type": "string",
-          "description": "Custom MultiQC yaml file containing HTML including a methods description.",
-          "fa_icon": "fas fa-cog"
+        {
+            "$ref": "#/definitions/max_job_request_options"
         },
-        "tracedir": {
-          "type": "string",
-          "description": "Directory to keep pipeline Nextflow logs and reports.",
-          "default": "${params.outdir}/pipeline_info",
-          "fa_icon": "fas fa-cogs",
-          "hidden": true
+        {
+            "$ref": "#/definitions/generic_options"
         },
-        "validate_params": {
-          "type": "boolean",
-          "description": "Boolean whether to validate parameters against the schema at runtime",
-          "default": true,
-          "fa_icon": "fas fa-check-square",
-          "hidden": true
-        },
-        "show_hidden_params": {
-          "type": "boolean",
-          "fa_icon": "far fa-eye-slash",
-          "description": "Show all params when using `--help`",
-          "hidden": true,
-          "help_text": "By default, parameters set as _hidden_ in the schema are not shown on the command line when a user runs with `--help`. Specifying this option will tell the pipeline to show all parameters."
-        },
-        "enable_conda": {
-          "type": "boolean",
-          "description": "Run this workflow with Conda. You can also use '-profile conda' instead of providing this parameter.",
-          "hidden": true,
-          "fa_icon": "fas fa-bacon"
+        {
+            "$ref": "#/definitions/reference_genome_options"
         }
-      }
-    },
-    "reference_genome_options": {
-      "title": "Reference genome options",
-      "type": "object",
-      "fa_icon": "fas fa-dna",
-      "description": "Reference genome related files and options required for the workflow.",
-      "properties": {
-        "genome": {
-          "type": "string",
-          "description": "Name of iGenomes reference.",
-          "fa_icon": "fas fa-book",
-          "help_text": "If using a reference genome configured in the pipeline using iGenomes, use this parameter to give the ID for the reference. This is then used to build the full paths for all required reference genome files e.g. `--genome GRCh38`. \n\nSee the [nf-core website docs](https://nf-co.re/usage/reference_genomes) for more details.",
-          "hidden": true
-        },
-        "igenomes_base": {
-          "type": "string",
-          "format": "directory-path",
-          "description": "Directory / URL base for iGenomes references.",
-          "default": "s3://ngi-igenomes/igenomes",
-          "fa_icon": "fas fa-cloud-download-alt",
-          "hidden": true
-        },
-        "igenomes_ignore": {
-          "type": "boolean",
-          "description": "Do not load the iGenomes reference config.",
-          "fa_icon": "fas fa-ban",
-          "hidden": true,
-          "help_text": "Do not load `igenomes.config` when running the pipeline. You may choose this option if you observe clashes between custom parameters and those supplied in `igenomes.config`."
+    ],
+    "properties": {
+        "preprocessing_qc_tool": {
+            "type": "string",
+            "default": "fastqc",
+            "enum": ["fastqc", "falco"],
+            "help_text": "Falco is designed as a drop-in replacement for FastQC but written in C++ for faster computation. We particularly recommend using falco when using long reads (due to reduced memory constraints), however is also applicable for short reads.",
+            "description": "Specify the tool used for quality control of raw sequencing reads"
+        },
+        "save_mgc_counts": {
+            "type": "boolean",
+            "description": "Save the mgc reads count for mOTUs."
+        },
+        "save_ncbi_id": {
+            "type": "boolean",
+            "description": "Print NCBI taxonomic id for mOTUs."
+        },
+        "save_read_counts": {
+            "type": "boolean",
+            "description": "Print mOTUs result as counts instead of relative abundances.."
         }
-      }
-    }
-  },
-  "allOf": [
-    {
-      "$ref": "#/definitions/input_output_options"
-    },
-    {
-      "$ref": "#/definitions/preprocessing_general_qc_options"
-    },
-    {
-      "$ref": "#/definitions/preprocessing_short_read_qc_options"
-    },
-    {
-      "$ref": "#/definitions/preprocessing_long_read_qc_options"
-    },
-    {
-      "$ref": "#/definitions/preprocessing_host_removal_options"
-    },
-    {
-      "$ref": "#/definitions/preprocessing_run_merging_options"
-    },
-    {
-      "$ref": "#/definitions/profiling_options"
-    },
-    {
-      "$ref": "#/definitions/postprocessing_and_visualisation_options"
-    },
-    {
-      "$ref": "#/definitions/institutional_config_options"
-    },
-    {
-      "$ref": "#/definitions/max_job_request_options"
-    },
-    {
-      "$ref": "#/definitions/generic_options"
-    },
-    {
-      "$ref": "#/definitions/reference_genome_options"
-    }
-  ],
-  "properties": {
-    "preprocessing_qc_tool": {
-      "type": "string",
-      "default": "fastqc",
-      "enum": ["fastqc", "falco"],
-      "help_text": "Falco is designed as a drop-in replacement for FastQC but written in C++ for faster computation. We particularly recommend using falco when using long reads (due to reduced memory constraints), however is also applicable for short reads.",
-      "description": "Specify the tool used for quality control of raw sequencing reads"
-    },
-    "save_mgc_counts": {
-      "type": "boolean",
-      "description": "Save the mgc reads count for mOTUs."
-    },
-    "save_ncbi_id": {
-      "type": "boolean",
-      "description": "Print NCBI taxonomic id for mOTUs."
-    },
-    "save_read_counts": {
-      "type": "boolean",
-      "description": "Print mOTUs result as counts instead of relative abundances.."
     }
-  }
 }

From 71b52b9c94a0e009a8ded36dd7ebf2351145adcc Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Tue, 29 Nov 2022 11:58:23 +0100
Subject: [PATCH 487/789] Apply review suggestions

---
 conf/modules.config  | 6 +++++-
 nextflow_schema.json | 2 +-
 2 files changed, 6 insertions(+), 2 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 5c35525..8502ebe 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -446,7 +446,11 @@ process {
     }
 
     withName: MOTUS_PROFILE {
-        ext.args = { [ params.save_ncbi_id ? "-p" : "", params.save_read_counts ? "-c" : "", params.save_mgc_counts ?  "-M ${task.ext.prefix}.mgc" : "" ].join(',').replaceAll(','," ") }
+        ext.args = { [ 
+		params.save_ncbi_id ? "-p" : "",
+		params.save_read_counts ? "-c" : "",
+		params.save_mgc_counts ?  "-M ${task.ext.prefix}.mgc" : ""
+	   ].join(',').replaceAll(','," ") }
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
             path: { "${params.outdir}/motus/${meta.db_name}/" },
diff --git a/nextflow_schema.json b/nextflow_schema.json
index e0b7fa6..8e2250b 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -743,7 +743,7 @@
         },
         "save_read_counts": {
             "type": "boolean",
-            "description": "Print mOTUs result as counts instead of relative abundances.."
+            "description": "Print mOTUs result as counts instead of relative abundances."
         }
     }
 }

From ba727a81aef811faa91aa1f85a5e2a40b7101b3e Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Tue, 29 Nov 2022 12:45:14 +0100
Subject: [PATCH 488/789] Fix left-padding spaces

---
 conf/modules.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/conf/modules.config b/conf/modules.config
index 8502ebe..7327a2b 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -450,7 +450,7 @@ process {
 		params.save_ncbi_id ? "-p" : "",
 		params.save_read_counts ? "-c" : "",
 		params.save_mgc_counts ?  "-M ${task.ext.prefix}.mgc" : ""
-	   ].join(',').replaceAll(','," ") }
+	].join(',').replaceAll(','," ") }
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
             path: { "${params.outdir}/motus/${meta.db_name}/" },

From 770a35d7aca245ef12f9d820b90d639c398bdfb0 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Tue, 29 Nov 2022 12:49:20 +0100
Subject: [PATCH 489/789] Update conf/modules.config

---
 conf/modules.config | 12 +++++++-----
 1 file changed, 7 insertions(+), 5 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 7327a2b..9494e02 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -446,11 +446,13 @@ process {
     }
 
     withName: MOTUS_PROFILE {
-        ext.args = { [ 
-		params.save_ncbi_id ? "-p" : "",
-		params.save_read_counts ? "-c" : "",
-		params.save_mgc_counts ?  "-M ${task.ext.prefix}.mgc" : ""
-	].join(',').replaceAll(','," ") }
+        ext.args = { 
+            [ 
+		        params.save_ncbi_id ? "-p" : "",
+		        params.save_read_counts ? "-c" : "",
+		        params.save_mgc_counts ?  "-M ${task.ext.prefix}.mgc" : ""
+	        ].join(',').replaceAll(','," ")
+	    }
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
             path: { "${params.outdir}/motus/${meta.db_name}/" },

From 0088b07220c502da5e568916e1d0e366f9992a26 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Tue, 29 Nov 2022 13:28:04 +0100
Subject: [PATCH 490/789] Fix trailing whitespace

---
 conf/modules.config | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 9494e02..a2852d5 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -446,12 +446,12 @@ process {
     }
 
     withName: MOTUS_PROFILE {
-        ext.args = { 
+        ext.args = {
             [ 
-		        params.save_ncbi_id ? "-p" : "",
-		        params.save_read_counts ? "-c" : "",
-		        params.save_mgc_counts ?  "-M ${task.ext.prefix}.mgc" : ""
-	        ].join(',').replaceAll(','," ")
+                params.save_ncbi_id ? "-p" : "",
+                params.save_read_counts ? "-c" : "",
+                params.save_mgc_counts ?  "-M ${task.ext.prefix}.mgc" : ""
+            ].join(',').replaceAll(','," ")
 	    }
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [

From 7e3ece53bd9fd76660b8d1dcc499ea010a382ec1 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Tue, 29 Nov 2022 13:31:00 +0100
Subject: [PATCH 491/789] Update modules.config

---
 conf/modules.config | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index a2852d5..0f54301 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -447,12 +447,12 @@ process {
 
     withName: MOTUS_PROFILE {
         ext.args = {
-            [ 
+            [
                 params.save_ncbi_id ? "-p" : "",
                 params.save_read_counts ? "-c" : "",
                 params.save_mgc_counts ?  "-M ${task.ext.prefix}.mgc" : ""
             ].join(',').replaceAll(','," ")
-	    }
+            }
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
             path: { "${params.outdir}/motus/${meta.db_name}/" },

From d7fbe55849f79e4029c746b5457c0ab2d4ba1a98 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 29 Nov 2022 14:19:01 +0100
Subject: [PATCH 492/789] Add KU to the test profiles and add id to KU
 processes

---
 conf/test.config                 | 1 +
 conf/test_motus.config           | 1 +
 conf/test_nopreprocessing.config | 1 +
 conf/test_noprofiling.config     | 1 +
 conf/test_nothing.config         | 1 +
 subworkflows/local/profiling.nf  | 2 +-
 6 files changed, 6 insertions(+), 1 deletion(-)

diff --git a/conf/test.config b/conf/test.config
index 777d9bf..016eb2e 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -39,6 +39,7 @@ params {
     run_metaphlan3                        = true
     run_centrifuge                        = true
     run_diamond                           = true
+    run_krakenuniq                        = true
     run_motus                             = false
     run_krona                             = true
     krona_taxonomy_directory              = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/sarscov2/metagenome/krona_taxonomy.tab'
diff --git a/conf/test_motus.config b/conf/test_motus.config
index d167b94..2428a4c 100644
--- a/conf/test_motus.config
+++ b/conf/test_motus.config
@@ -38,6 +38,7 @@ params {
     run_metaphlan3                        = false
     run_centrifuge                        = false
     run_diamond                           = false
+    run_krakenuniq                        = false
     run_motus                             = true
     run_profile_standardisation           = true
 }
diff --git a/conf/test_nopreprocessing.config b/conf/test_nopreprocessing.config
index 357f76f..9a51320 100644
--- a/conf/test_nopreprocessing.config
+++ b/conf/test_nopreprocessing.config
@@ -38,6 +38,7 @@ params {
     run_metaphlan3                        = true
     run_centrifuge                        = true
     run_diamond                           = true
+    run_krakenuniq                        = true
     run_motus                             = false
     run_krona                             = true
 }
diff --git a/conf/test_noprofiling.config b/conf/test_noprofiling.config
index 59ed0da..3ca715b 100644
--- a/conf/test_noprofiling.config
+++ b/conf/test_noprofiling.config
@@ -39,6 +39,7 @@ params {
     run_metaphlan3                        = false
     run_centrifuge                        = false
     run_diamond                           = false
+    run_krakenuniq                        = false
     run_motus                             = false
 }
 
diff --git a/conf/test_nothing.config b/conf/test_nothing.config
index df09613..47976df 100644
--- a/conf/test_nothing.config
+++ b/conf/test_nothing.config
@@ -38,6 +38,7 @@ params {
     run_metaphlan3                        = false
     run_centrifuge                        = false
     run_diamond                           = false
+    run_krakenuniq                        = false
     run_motus                             = false
 }
 
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 4ca2c4c..aeee2a4 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -271,7 +271,7 @@ workflow PROFILING {
         ch_input_for_krakenuniq =  ch_input_for_profiling.krakenuniq
                                     .map {
                                         meta, reads, db_meta, db ->
-                                            [[single_end: meta.single_end], reads, db_meta, db]
+                                            [[id: db_meta.db_name, single_end: meta.single_end], reads, db_meta, db]
                                     }
                                     .groupTuple(by: [0,2,3])
                                     .dump(tag: "krakenuniq_premultimap")

From f389029848e0044568ecc92c8cb004e5ada69653 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Tue, 29 Nov 2022 14:38:39 +0100
Subject: [PATCH 493/789] Fix merge conflic

---
 nextflow_schema.json | 1467 +++++++++++++++++++++---------------------
 1 file changed, 737 insertions(+), 730 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 8e2250b..df4b4e7 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -1,749 +1,756 @@
 {
-    "$schema": "http://json-schema.org/draft-07/schema",
-    "$id": "https://raw.githubusercontent.com/nf-core/taxprofiler/master/nextflow_schema.json",
-    "title": "nf-core/taxprofiler pipeline parameters",
-    "description": "Taxonomic profiling of shotgun metagenomic data",
-    "type": "object",
-    "definitions": {
-        "input_output_options": {
-            "title": "Input/output options",
-            "type": "object",
-            "fa_icon": "fas fa-terminal",
-            "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["input", "databases", "outdir"],
-            "properties": {
-                "input": {
-                    "type": "string",
-                    "format": "file-path",
-                    "mimetype": "text/csv",
-                    "pattern": "^\\S+\\.(csv|yaml|yml)$",
-                    "schema": "assets/schema_input.json",
-                    "description": "Path to comma-separated file containing information about the samples and libraries/runs.",
-                    "help_text": "You will need to create a design file with information about the samples and libraries/runs you want to running in your pipeline run. Use this parameter to specify its location. It has to be a comma-separated file with 6 columns, and a header row. See [usage docs](https://nf-co.re/taxprofiler/usage#samplesheet-input).",
-                    "fa_icon": "fas fa-file-csv"
-                },
-                "databases": {
-                    "type": "string",
-                    "mimetype": "text/csv",
-                    "format": "file-path",
-                    "fa_icon": "fas fa-database",
-                    "description": "Path to comma-separated file containing information about databases and profiling parameters for each taxonomic profiler",
-                    "help_text": "You will need to create a design file with information about the samples in your experiment before running the pipeline. Use this parameter to specify its location. It has to be a comma-separated file with 4 columns, and a header row. See [usage docs](https://nf-co.re/taxprofiler/dev/usage#full-database-sheet).\n\nProfilers will only be executed if a corresponding  database are supplied. \n\nWe recommend storing this database sheet somewhere centrally and accessible by others members of your lab/institutions, as this file will likely be regularly reused."
-                },
-                "outdir": {
-                    "type": "string",
-                    "format": "directory-path",
-                    "description": "The output directory where the results will be saved. You have to use absolute paths to storage on Cloud infrastructure.",
-                    "fa_icon": "fas fa-folder-open"
-                },
-                "email": {
-                    "type": "string",
-                    "description": "Email address for completion summary.",
-                    "fa_icon": "fas fa-envelope",
-                    "help_text": "Set this parameter to your e-mail address to get a summary e-mail with details of the run sent to you when the workflow exits. If set in your user config file (`~/.nextflow/config`) then you don't need to specify this on the command line for every run.",
-                    "pattern": "^([a-zA-Z0-9_\\-\\.]+)@([a-zA-Z0-9_\\-\\.]+)\\.([a-zA-Z]{2,5})$"
-                },
-                "multiqc_title": {
-                    "type": "string",
-                    "description": "MultiQC report title. Printed as page header, used for filename if not otherwise specified.",
-                    "fa_icon": "fas fa-file-signature"
-                }
-            }
-        },
-        "preprocessing_general_qc_options": {
-            "title": "Preprocessing general QC options",
-            "type": "object",
-            "description": "Common options across both long and short read preprocessing QC steps",
-            "default": "",
-            "properties": {
-                "save_preprocessed_reads": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-save",
-                    "description": "Save reads from adapter clipping/pair-merging, length filtering for both short and long reads",
-                    "help_text": "This saves the FASTQ output from the following tools:\n\n- fastp\n- AdapterRemoval\n- Porechop\n- Filtlong\n\nThese reads will be a mixture of: adapter clipped, quality trimmed, pair-merged, and length filtered, depending on the parameters you set."
-                }
-            },
-            "fa_icon": "fas fa-users-cog"
-        },
-        "preprocessing_short_read_qc_options": {
-            "title": "Preprocessing short-read QC options",
-            "type": "object",
-            "description": "Options for adapter clipping, quality trimming, pair-merging, and complexity filtering",
-            "default": "",
-            "properties": {
-                "perform_shortread_qc": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turns on short read quality control steps (adapter clipping, complexity filtering etc.)",
-                    "help_text": "Turns on short read quality control steps (adapter clipping, complexity filtering etc.)\n\nThis subworkflow can perform:\n\n- Adapter removal\n- Read quality trimming\n- Read pair merging\n- Length filtering\n- Complexity filtering\n\nEither with fastp or AdapterRemoval.\n\nRemoving adapters (if present) is recommend to reduce false-postive hits that may occur from 'dirty' or 'contaminated' reference genomes in a profiling database that contain accidentially incorporated adapter sequences. Note that some, but not all, tools support paired-end alignment (utilising information about the insert covered by the pairs). However read pair merging in some cases can be recommend to increase read length (such as in aDNA). Length filtering, and/or complexity can speed up alignment by reducing the number of short unspecific reads that need to be aligned."
-                },
-                "shortread_qc_tool": {
-                    "type": "string",
-                    "default": "fastp",
-                    "enum": ["fastp", "adapterremoval"],
-                    "fa_icon": "fas fa-tools",
-                    "description": "Specify which tool to use for short-read QC"
-                },
-                "shortread_qc_skipadaptertrim": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-forward",
-                    "description": "Skip adapter trimming",
-                    "help_text": "Skip the removal of sequencing adapters. \n\nThis often can be useful to speed up run-time of the pipeline when analysing data downloaded from public databases such as the ENA or SRA, as adapters should already be removed (however we recommend to check FastQC results to ensure this is the case)."
-                },
-                "shortread_qc_adapter1": {
-                    "type": "string",
-                    "default": "None",
-                    "fa_icon": "fas fa-grip-lines",
-                    "description": "Specify adapter 1 nucleotide sequence",
-                    "help_text": "Specify a custom forward or R1 adapter sequence to be removed from reads. \n\nIf not set, the selected short-read QC tool's defaults will be used.\n\n> Modifies tool parameter(s):\n> - fastp: `--adapter_sequence`. fastp default: `AGATCGGAAGAGCACACGTCTGAACTCCAGTCA`\n> - AdapterRemoval: `--adapter1`. AdapteRemoval2 default: `AGATCGGAAGAGCACACGTCTGAACTCCAGTCACNNNNNNATCTCGTATGCCGTCTTCTGCTTG`"
-                },
-                "shortread_qc_adapter2": {
-                    "type": "string",
-                    "default": "None",
-                    "fa_icon": "fas fa-grip-lines",
-                    "description": "Specify adapter 2 nucleotide sequence",
-                    "help_text": "Specify a custom reverse or R2 adapter sequence to be removed from reads. \n\nIf not set, the selected short-read QC tool's defaults will be used.\n\n> Modifies tool parameter(s):\n> - fastp: `--adapter_sequence`. fastp default: `AGATCGGAAGAGCGTCGTGTAGGGAAAGAGTGT`\n> - AdapterRemoval: `--adapter1`. AdapteRemoval2 default: `AGATCGGAAGAGCGTCGTGTAGGGAAAGAGTGTAGATCTCGGTGGTCGCCGTATCATT`"
-                },
-                "shortread_qc_adapterlist": {
-                    "type": "string",
-                    "default": "None",
-                    "description": "Specify a list of all possible adapters to trim. Overrides --shortread_qc_adapter1/2. Formats: .txt (AdapterRemoval) or .fasta. (fastp).",
-                    "help_text": "Allows to supply a file with a list of adapter (combinations) to remove from all files. \n\nOverrides the --shortread_qc_adapter1/--shortread_qc_adapter2 parameters . \n\nFor AdapterRemoval this consists of a two column table with a `.txt` extension: first column represents forward strand, second column for reverse strand. You must supply all possible combinations, one per line, and this list is applied to all files. See AdapterRemoval documentation for more information.\n\nFor fastp this consists of a standard FASTA format with a `.fasta`/`.fa`/`.fna`/`.fas` extension. The adapter sequence in this file should be at least 6bp long, otherwise it will be skipped. fastp trims the adapters present in the FASTA file one by one.\n\n> Modifies AdapterRemoval parameter: --adapter-list\n> Modifies fastp parameter: --adapter_fasta"
-                },
-                "shortread_qc_mergepairs": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on merging of read pairs for paired-end data",
-                    "default": true,
-                    "help_text": "Turn on the merging of read-pairs of paired-end short read sequencing data for AdapterRemoval (this is performed automatically with fastp).\n\n> Modifies tool parameter(s):\n> - AdapterRemoval: `--collapse`\n"
-                },
-                "shortread_qc_excludeunmerged": {
-                    "type": "boolean",
-                    "fa_icon": "far fa-times-circle",
-                    "description": "Discard unmerged reads from paired-end merging",
-                    "help_text": "Turns off the inclusion of unmerged reads in resulting processing FASTQ file of paired-end sequencing data when using `fastp`.\n\nThis can be useful in cases where you prefer to have very short reads (e.g. aDNA), thus excluding longer-reads or possibly faulty reads where one of the pair was discarded.\n\n> Modifies tool parameter(s):\n> - removed from reads `--include_unmerged`\n"
-                },
-                "shortread_qc_minlength": {
-                    "type": "integer",
-                    "default": 15,
-                    "fa_icon": "fas fa-ruler-horizontal",
-                    "description": "Specify the minimum length of reads to be retained",
-                    "help_text": "Specifying a mimum read length filtering can speed up profiling by reducing the number of short unspecific reads that need to be match/aligned to the database.\n\n> Modifies tool parameter(s):\n> - removed from reads `--length_required`\n> - AdapterRemoval: `--minlength`"
-                },
-                "perform_shortread_complexityfilter": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turns on nucleotide sequence complexity filtering",
-                    "help_text": "Turns on sequencing complexity filtering. Complexity filtering can be useful to increase run-time by removing unspecific read sequences that do not provide any informative taxon ID."
-                },
-                "shortread_complexityfilter_tool": {
-                    "type": "string",
-                    "default": "bbduk",
-                    "enum": ["bbduk", "prinseqplusplus", "fastp"],
-                    "fa_icon": "fas fa-hammer",
-                    "description": "Specify which tool to use for complexity filtering"
-                },
-                "shortread_complexityfilter_entropy": {
-                    "type": "number",
-                    "default": 0.3,
-                    "fa_icon": "fas fa-random",
-                    "description": "Specify the minimum sequence entropy level for complexity filtering",
-                    "help_text": "Specify the minimum 'entropy' value for complexity filtering for BBDuk or PRINSEQ++.\n\nNote that this value will only be used for PRINSEQ++ if `--shortread_complexityfilter_prinseqplusplus_mode` is set to `entropy`.\n\nEntropy here corresponds to the amount of sequence variation exists within the read. Higher values correspond to more variety, and thus will likely reslut in more specific matching to a taxon's reference genome. The trade off here is fewer reads (or abundance information) available for having a confident identification.\n\n\n> Modifies tool parameter(s):\n> - BBDuk: `entropy=`\n> - PRINSEQ++:  `-lc_entropy`\n\n"
-                },
-                "shortread_complexityfilter_bbduk_windowsize": {
-                    "type": "integer",
-                    "default": 50,
-                    "fa_icon": "far fa-window-maximize",
-                    "description": "Specify the window size for BBDuk complexity filtering",
-                    "help_text": "Specify the window size to calculate the level entropy within for BBDuk.\n\n> Modifies tool parameter(s):\n> - BBDuk: `entropywindow=`"
-                },
-                "shortread_complexityfilter_bbduk_mask": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-mask",
-                    "description": "Turn on masking rather than discarding of low complexity reads for BBduk",
-                    "help_text": "Turn on masking of low-complexity reads (i.e., replacement with `N`) rather than removal.\n\n> Modifies tool parameter(s)\n> - BBDuk: `entropymask=`"
-                },
-                "shortread_complexityfilter_fastp_threshold": {
-                    "type": "integer",
-                    "default": 30,
-                    "fa_icon": "fas fa-sort-numeric-down",
-                    "description": "Specify the minimum complexity filter threshold of fastp",
-                    "help_text": "Specify the minimum sequence complexity value for fastp. This value corresponds to the percentage of bases that is different from it's adjacent bases.\n\n> Modifies tool parameter(s):\n> - removed from reads `--complexity_threshold`"
-                },
-                "shortread_complexityfilter_prinseqplusplus_mode": {
-                    "type": "string",
-                    "default": "entropy",
-                    "enum": ["entropy", "dust"],
-                    "fa_icon": "fas fa-check-square",
-                    "description": "Specify the complexity filter mode for PRINSEQ++"
-                },
-                "shortread_complexityfilter_prinseqplusplus_dustscore": {
-                    "type": "number",
-                    "default": 0.5,
-                    "fa_icon": "fas fa-head-side-mask",
-                    "description": "Specify the minimum dust score for PRINTSEQ++ complexity filtering",
-                    "help_text": "Specify the minimum dust score below which low-complexity reads will be removed. A DUST score is based on how often different tri-nucleotides occur along a read.\n\n> Modifies tool parameter(s):\n> - PRINSEQ++: `--lc_dust`"
-                },
-                "save_complexityfiltered_reads": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-save",
-                    "description": "Save complexity filtered short-reads",
-                    "help_text": "Specify whether to save the final complexity filtered reads in your results directory (`--outdir`)."
-                }
-            },
-            "fa_icon": "fas fa-compress-alt"
-        },
-        "preprocessing_long_read_qc_options": {
-            "title": "Preprocessing long-read QC options",
-            "type": "object",
-            "description": "Options for adapter clipping, quality trimming, and length filtering",
-            "default": "",
-            "properties": {
-                "perform_longread_qc": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turns on long read quality control steps (adapter clipping, length filtering etc.)",
-                    "help_text": "Turns on long read quality control steps (adapter clipping, length and/or quality filtering.)\n\nRemoving adapters (if present) is recommend to reduce false-postive hits that may occur from 'dirty' or 'contaminated' reference genomes in a profiling database that contain accidentially incorporated adapter sequences.\n\nLength filtering, and quality filtering can speed up alignment by reducing the number of unspecific reads that need to be aligned."
-                },
-                "longread_qc_skipadaptertrim": {
-                    "type": "boolean",
-                    "description": "Skip long-read trimming",
-                    "fa_icon": "fas fa-forward",
-                    "help_text": "Skip removal of adapters by Porechop. This can be useful in some cases to speed up run time - particularly when you are running data downloading from public databases such as the ENA/SRA that should already have adapters removed. We recommend that you check your FastQC results this is indeed the case."
-                },
-                "longread_qc_skipqualityfilter": {
-                    "type": "boolean",
-                    "description": "Skip long-read length and quality filtering",
-                    "fa_icon": "fas fa-forward",
-                    "help_text": "Skip removal of quality filtering with Filtlong. This will skip length, percent reads, and target bases filtering (see other `--longread_qc_qualityfilter_*` parameters)."
-                },
-                "longread_qc_qualityfilter_minlength": {
-                    "type": "integer",
-                    "default": 1000,
-                    "description": "Specify the minimum length of reads to be retained",
-                    "fa_icon": "fas fa-ruler-horizontal",
-                    "help_text": "Specify the minimum of length of reads to be kept for downstream analysis.\n\n> Modifies tool parameter(s):\n> - Filtlong: `--min_length`"
-                },
-                "longread_qc_qualityfilter_keeppercent": {
-                    "type": "integer",
-                    "default": 90,
-                    "description": "Specify the percent of high-quality bases to be retained",
-                    "fa_icon": "fas fa-percentage",
-                    "help_text": "Throw out the remaining percentage of reads outside the value. This is measured by bp, not by read count. So this option throws out the worst e.g. 10% of read bases if the parameter is set to `90`.  _Modified from [Filtlong documentation](https://github.com/rrwick/Filtlong)_\n\n> Modifies tool parameter(s):\n> - Filtlong: `--keep_percent`"
-                },
-                "longread_qc_qualityfilter_targetbases": {
-                    "type": "integer",
-                    "default": 500000000,
-                    "description": "Specify the number of high-quality bases in the library to be retained",
-                    "fa_icon": "fas fa-bullseye",
-                    "help_text": "Removes the worst reads until only the specified value of bases remain, useful for very large read sets. If the input read set is less than the specified value, this setting will have no effect. _Modified from [Filtlong documentation](https://github.com/rrwick/Filtlong)_\n\n> Modifies tool parameter(s):\n> - Filtlong: `--keep_percent`"
-                }
-            },
-            "fa_icon": "fas fa-expand-alt"
-        },
-        "preprocessing_host_removal_options": {
-            "title": "Preprocessing host removal options",
-            "type": "object",
-            "description": "Options for pre-profiling host read removal",
-            "default": "",
-            "properties": {
-                "perform_shortread_hostremoval": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on short-read host removal",
-                    "help_text": "Turns on the ability to remove short-reads from the that derived from a known organism, using Bowtie2 and samtools\n\nThis subworkflow is useful to remove reads that may come from a host, or a known contamination like the human reference genome. Human DNA contamination of (microbial) reference genomes is well known, so removal of these prior profiling both reduces the risks of false positives, and in _some cases_ a faster runtime (as less reads need to be profiled).\n\nAlternatively, you can include the reference genome within your profiling databases and can turn off this subworkflow, with the trade off of a larger taxonomic profiling database."
-                },
-                "perform_longread_hostremoval": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on long-read host removal",
-                    "help_text": "Turns on the ability to remove long-reads from the that derived from a known organism, using minimap2 and samtools\n\nThis subworkflow is useful to remove reads that may come from a host, or a known contamination like the human reference genome. Human DNA contamination of (microbial) reference genomes is well known, so removal of these prior profiling both reduces the risks of false positives, and in _some cases_ a faster runtime (as less reads need to be profiled).\n\nAlternatively, you can include the reference genome within your profiling databases and can turn off this subworkflow, with the trade off of a larger taxonomic profiling database."
-                },
-                "hostremoval_reference": {
-                    "type": "string",
-                    "default": "None",
-                    "fa_icon": "fas fa-file-alt",
-                    "description": "Specify path to single reference FASTA of host(s) genome(s)",
-                    "help_text": "Specify a path to the FASTA file (optionally gzipped) of the reference genome of the organism to be removed.\n\nIf you have two or more host organisms or contaminants you wish to remove, you can concatenate the FASTAs of the different taxa into a single one to provide to the pipeline."
-                },
-                "shortread_hostremoval_index": {
-                    "type": "string",
-                    "default": "None",
-                    "fa_icon": "fas fa-address-book",
-                    "description": "Specify path to the directory containing pre-made BowTie2 indexes of the host removal reference",
-                    "help_text": "Specify the path to a _directory_ containing pre-made Bowtie2 reference index files (i.e. the directory containing `.bt1`, `.bt2` files etc.). These should sit in the same directory alongside the the reference file specified in `--hostremoval_reference`.\n\nSpecifying premade indices can speed up runtime of the host-removal step, however if not supplied the pipeline will generate the indices for you."
-                },
-                "longread_hostremoval_index": {
-                    "type": "string",
-                    "default": "None",
-                    "fa_icon": "fas fa-address-book",
-                    "description": "Specify path to a pre-made Minimap2 index file (.mmi) of the host removal reference",
-                    "help_text": "Specify path to a pre-made Minimap2 index file (.mmi) of the host removal reference file given to `--hostremoval_reference`.\n\nSpecifying a premade index file can speed up runtime of the host-removal step, however if not supplied the pipeline will generate the indices for you."
-                },
-                "save_hostremoval_index": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-save",
-                    "description": "Save mapping index of input reference when not already supplied by user",
-                    "help_text": "Save the output files of the in-built indexing of the host genome.\n\nThis is recommend to be turned on if you plan to use the same reference genome multiple times, as supplying the directory or file to `--shortread_hostremoval_index` or `--longread_hostremoval_index` respectively can speed up runtime of future runs. Once generated, we recommend you place this file _outside_ of your run results directory in a central 'cache' directory you and others using your machine can access and supply to the pipeline."
-                },
-                "save_hostremoval_mapped": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-save",
-                    "description": "Save mapped reads in BAM format from host removal",
-                    "help_text": "Save the reads mapped to the reference genome in BAM format as output by the respective hostremoval alignment tool.\n\nThis can be useful if you wish to perform other analyses on the host organism (such as host-microbe interaction), however, you should consider whether the default mapping parameters of Bowtie2 (short-read) or minimap2 (long-read) are optimised to your context. "
-                },
-                "save_hostremoval_unmapped": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-save",
-                    "description": "Save unmapped reads in FASTQ format from host removal",
-                    "help_text": "Save the unreads mapped to the reference genome in FASTQ format (as exported from `samtools view`).\n\nThis can be useful if you wish to perform other analyses on the off-target reads from the host mapping, such as manual profiling or _de novo_ assembly."
-                }
-            },
-            "fa_icon": "fas fa-user-times"
-        },
-        "preprocessing_run_merging_options": {
-            "title": "Preprocessing run merging options",
-            "type": "object",
-            "description": "Options for per-sample run-merging",
-            "default": "",
-            "properties": {
-                "perform_runmerging": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on run merging",
-                    "help_text": "Turns on the concatenation of sequencing runs or libraries with the same sample name.\n\nThis can be useful to ensure you get a single profile per sample, rather than one profile per run or library. Note that in some cases comparing profiles of independent _libraries_ may be useful, so this parameter may not always be suitable.  "
-                },
-                "save_runmerged_reads": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-save",
-                    "description": "Save run-concatenated input FASTQ files for each sample",
-                    "help_text": "Save the run- and library-concatenated reads of a given sample in FASTQ format."
-                }
-            },
-            "fa_icon": "fas fa-clipboard-check"
-        },
-        "profiling_options": {
-            "title": "Profiling options",
-            "type": "object",
-            "description": "",
-            "default": "",
-            "properties": {
-                "run_centrifuge": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on profiling with Centrifuge. Requires database to be present CSV file passed to --databases"
-                },
-                "centrifuge_save_reads": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-save",
-                    "description": "Turn on saving of Centrifuge-aligned reads",
-                    "help_text": "Save mapped (SAM, FASTQ) and unmapped (FASTQ) reads from alignment step of centrifuge in your output results directory.\n\n> Modifies tool parameter(s):\n> - centrifuge: `--un-gz`, `--al-gz`, `--un-conc-gz`, `--al-conc-gz`, `--out-fmt`"
-                },
-                "run_diamond": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on profiling with DIAMOND. Requires database to be present CSV file passed to --databases"
-                },
-                "diamond_output_format": {
-                    "type": "string",
-                    "default": "tsv",
-                    "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"],
-                    "fa_icon": "fas fa-file",
-                    "description": "Specify output format from DIAMOND profiling.",
-                    "help_text": "DIAMOND can produce output in a number of different formats, you can specify here which to produce.\n\nNote that DIAMOND can only produce one format at a time, and depending on which you pick, some downstream steps may not be executed. For example, selecting `daa` or `sam` will mean you will not get a tabular taxonomic profile as with the other tools.\n\nWill be overriden by `--diamond_save_reads.`\n\n> Modifies tool parameter(s):\n> - diamond blastx: `--outfmt`"
-                },
-                "diamond_save_reads": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-save",
-                    "description": "Turn on saving of DIAMOND-aligned reads. Will override --diamond_output_format and no taxon tables will be generated",
-                    "help_text": "Save aligned reads in SAM format from alignment step of DIAMOND in your output results directory.\n\nNote this explicitly overrides `--diamond_output_format` to produce the SAM file, and no taxon table will be generated.\n\n> Modifies tool parameter(s):\n> - DIAMOND: `--outfmt`"
-                },
-                "run_kaiju": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on profiling with Kaiju. Requires database to be present CSV file passed to --databases"
-                },
-                "kaiju_taxon_rank": {
-                    "type": "string",
-                    "default": "species",
-                    "enum": ["phylum", "class", "order", "family", "genus", "species"],
-                    "fa_icon": "fas fa-tag",
-                    "description": "Specify taxonomic rank to be displayed in Kaiju taxon table",
-                    "help_text": "Specify the taxonomic level(s) to be displayed in the resulting Kaiju taxon table, as generated by the kaiju2table helper tool.\n\nThis can be either a single level (e.g. `species`), or a comma separated list to display the full taxonomic path (e.g. `superkingdom,phylum,class,order,family,genus,species.`).\n\n> Modifies tool parameter(s):\n> - kaiju2table: `-l`"
-                },
-                "run_kraken2": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on profiling with Kraken2. Requires database to be present CSV file passed to --databases"
-                },
-                "kraken2_save_reads": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-save",
-                    "description": "Turn on saving of Kraken2-aligned reads",
-                    "help_text": "Save reads that do and do not have a taxonomic classification in your output results directory in FASTQ format.\n\n> Modifies tool parameter(s):\n> - kraken2: `--classified-out` and `--unclassified-out`"
-                },
-                "kraken2_save_readclassification": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-save",
-                    "description": "Turn on saving of Kraken2 per-read taxonomic assignment file",
-                    "help_text": "Save a text file that contains a list of each read that had a taxonomic assignment, with information on specific taxonomic taxonomic assignment that that read recieved.\n\n> Modifies tool parameter(s):\n> - kraken2: `--output`"
-                },
-                "kraken2_save_minimizers": {
-                    "type": "boolean",
-                    "description": "Turn on saving minimizer information in the kraken2 report thus increasing to an eight column layout.",
-                    "fa_icon": "fas fa-save",
-                    "help_text": "Turn on saving minimizer information in the kraken2 report thus increasing to an eight column layout.\n\nAdds `--report-minimizer-data` to the kraken2 command."
-                },
-                "run_bracken": {
-                    "type": "boolean",
-                    "description": "Post-process kraken2 reports with Bracken.",
-                    "fa_icon": "fas fa-toggle-on"
-                },
-                "run_malt": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on profiling with MALT. Requires database to be present CSV file passed to --databases"
-                },
-                "malt_mode": {
-                    "type": "string",
-                    "default": "BlastN",
-                    "fa_icon": "fas fa-check-square",
-                    "description": "Specify which MALT alignment mode to use",
-                    "help_text": "Specify which version of MALT alignment to use.\n\nBlastN is generally recommended (nucleotide-nucleotide alignment), but particularly for very short reads (such as aDNA), whereas BlastX mode is similar to DIAMOND and will translate the nucleotide to amino acid sequences. Note each type of alignment mode requires different parameters during database construction. Refer to the MALT manual for more information.\n\n> Modifies tool parameter(s):\n> - malt-run: `-mode` "
-                },
-                "malt_save_reads": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-save",
-                    "description": "Turn on saving of MALT-aligned reads",
-                    "help_text": "Turns on saving of MALT aligned reads in SAM format.\n\nNote that the SAM format produce by MALT is not completely valid, and may not work with downstream tools.\n\n> Modifies tool parameter(s):\n> - malt-run: `--alignments`, `-za`"
-                },
-                "malt_generate_megansummary": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-save",
-                    "description": "Turn on generation of MEGAN summary file from MALT results",
-                    "help_text": "Turns on saving of MALT output in an additional MEGAN summary file (`.megan`) that can be loaded into the MEGAN metagenomic exploration tool.\n\nNote: this file is generated not directly from MALT but rather then MEGAN utility script `rma2info`.\n\n> Modifies tool parameter(s):\n> - rma2info: `-es`"
-                },
-                "run_metaphlan3": {
-                    "type": "boolean",
-                    "description": "Turn on profiling with MetaPhlAn3. Requires database to be present CSV file passed to --databases",
-                    "fa_icon": "fas fa-toggle-on"
-                },
-                "run_motus": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on profiling with mOTUs. Requires database to be present CSV file passed to --databases"
-                }
-            },
-            "fa_icon": "fas fa-align-center"
-        },
-        "postprocessing_and_visualisation_options": {
-            "title": "Postprocessing and visualisation options",
-            "type": "object",
-            "description": "",
-            "default": "",
-            "properties": {
-                "run_profile_standardisation": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on standardisation of taxon tables across profilers",
-                    "help_text": "Turns on standardisation of output OTU tables across all tools; each into a TSV format following the following scheme:\n\n|TAXON   | SAMPLE_A | SAMPLE_B |\n|-------------|----------------|-----------------|\n| taxon_a | 32               | 123             |\n| taxon_b | 1                 | 5                 |\n\nThis currently only is generated for mOTUs."
-                },
-                "generate_biom_output": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on generation of BIOM output (currently only applies to mOTUs)",
-                    "help_text": "Turn on the saving of the taxonomic output in BIOM format (`.biom`) in the results directory of your pipeline run, instead of the default TSV format.\n\nNote this file is from the output of the `motus merge` command.\n\n> Modifies tool parameter(s):\n> - `-B -o`"
-                },
-                "run_krona": {
-                    "type": "boolean",
-                    "fa_icon": "fas fa-toggle-on",
-                    "description": "Turn on generation of Krona plots for supported profilers",
-                    "help_text": "Turn on the generation of Krona interactive pie-chart HTMLs for a selection of profilers.\n\nThe tools currently supported are:\n\n- centrifuge\n- kraken2\n- kaiju\n- MALT"
-                },
-                "krona_taxonomy_directory": {
-                    "type": "string",
-                    "default": "None",
-                    "fa_icon": "fas fa-folder-open",
-                    "description": "Specify path to krona taxonomy directories (required for MALT krona plots)",
-                    "help_text": "Specify a path to a Krona taxonomy database directory (i.e. a directory containing a krona generated `.tab` file).\n\nThis is only required for generating Krona plots of MALT output.\n\nNote this taxonomy database must be downloaded and generated with the `updateTaxonomy.sh` script from the krona-tools package."
-                }
-            },
-            "fa_icon": "fas fa-chart-line"
-        },
-        "institutional_config_options": {
-            "title": "Institutional config options",
-            "type": "object",
-            "fa_icon": "fas fa-university",
-            "description": "Parameters used to describe centralised config profiles. These should not be edited.",
-            "help_text": "The centralised nf-core configuration profiles use a handful of pipeline parameters to describe themselves. This information is then printed to the Nextflow log when you run a pipeline. You should not need to change these values when you run a pipeline.",
-            "properties": {
-                "custom_config_version": {
-                    "type": "string",
-                    "description": "Git commit id for Institutional configs.",
-                    "default": "master",
-                    "hidden": true,
-                    "fa_icon": "fas fa-users-cog"
-                },
-                "custom_config_base": {
-                    "type": "string",
-                    "description": "Base directory for Institutional configs.",
-                    "default": "https://raw.githubusercontent.com/nf-core/configs/master",
-                    "hidden": true,
-                    "help_text": "If you're running offline, Nextflow will not be able to fetch the institutional config files from the internet. If you don't need them, then this is not a problem. If you do need them, you should download the files from the repo and tell Nextflow where to find them with this parameter.",
-                    "fa_icon": "fas fa-users-cog"
-                },
-                "config_profile_name": {
-                    "type": "string",
-                    "description": "Institutional config name.",
-                    "hidden": true,
-                    "fa_icon": "fas fa-users-cog"
-                },
-                "config_profile_description": {
-                    "type": "string",
-                    "description": "Institutional config description.",
-                    "hidden": true,
-                    "fa_icon": "fas fa-users-cog"
-                },
-                "config_profile_contact": {
-                    "type": "string",
-                    "description": "Institutional config contact information.",
-                    "hidden": true,
-                    "fa_icon": "fas fa-users-cog"
-                },
-                "config_profile_url": {
-                    "type": "string",
-                    "description": "Institutional config URL link.",
-                    "hidden": true,
-                    "fa_icon": "fas fa-users-cog"
-                }
-            }
-        },
-        "max_job_request_options": {
-            "title": "Max job request options",
-            "type": "object",
-            "fa_icon": "fab fa-acquisitions-incorporated",
-            "description": "Set the top limit for requested resources for any single job.",
-            "help_text": "If you are running on a smaller system, a pipeline step requesting more resources than are available may cause the Nextflow to stop the run with an error. These options allow you to cap the maximum resources requested by any single job so that the pipeline will run on your system.\n\nNote that you can not _increase_ the resources requested by any job using these options. For that you will need your own configuration file. See [the nf-core website](https://nf-co.re/usage/configuration) for details.",
-            "properties": {
-                "max_cpus": {
-                    "type": "integer",
-                    "description": "Maximum number of CPUs that can be requested for any single job.",
-                    "default": 16,
-                    "fa_icon": "fas fa-microchip",
-                    "hidden": true,
-                    "help_text": "Use to set an upper-limit for the CPU requirement for each process. Should be an integer e.g. `--max_cpus 1`"
-                },
-                "max_memory": {
-                    "type": "string",
-                    "description": "Maximum amount of memory that can be requested for any single job.",
-                    "default": "128.GB",
-                    "fa_icon": "fas fa-memory",
-                    "pattern": "^\\d+(\\.\\d+)?\\.?\\s*(K|M|G|T)?B$",
-                    "hidden": true,
-                    "help_text": "Use to set an upper-limit for the memory requirement for each process. Should be a string in the format integer-unit e.g. `--max_memory '8.GB'`"
-                },
-                "max_time": {
-                    "type": "string",
-                    "description": "Maximum amount of time that can be requested for any single job.",
-                    "default": "240.h",
-                    "fa_icon": "far fa-clock",
-                    "pattern": "^(\\d+\\.?\\s*(s|m|h|day)\\s*)+$",
-                    "hidden": true,
-                    "help_text": "Use to set an upper-limit for the time requirement for each process. Should be a string in the format integer-unit e.g. `--max_time '2.h'`"
-                }
-            }
-        },
-        "generic_options": {
-            "title": "Generic options",
-            "type": "object",
-            "fa_icon": "fas fa-file-import",
-            "description": "Less common options for the pipeline, typically set in a config file.",
-            "help_text": "These options are common to all nf-core pipelines and allow you to customise some of the core preferences for how the pipeline runs.\n\nTypically these options would be set in a Nextflow config file loaded for all pipeline runs, such as `~/.nextflow/config`.",
-            "properties": {
-                "help": {
-                    "type": "boolean",
-                    "description": "Display help text.",
-                    "fa_icon": "fas fa-question-circle",
-                    "hidden": true
-                },
-                "publish_dir_mode": {
-                    "type": "string",
-                    "default": "copy",
-                    "description": "Method used to save pipeline results to output directory.",
-                    "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
-                    "fa_icon": "fas fa-copy",
-                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
-                    "hidden": true
-                },
-                "email_on_fail": {
-                    "type": "string",
-                    "description": "Email address for completion summary, only when pipeline fails.",
-                    "fa_icon": "fas fa-exclamation-triangle",
-                    "pattern": "^([a-zA-Z0-9_\\-\\.]+)@([a-zA-Z0-9_\\-\\.]+)\\.([a-zA-Z]{2,5})$",
-                    "help_text": "An email address to send a summary email to when the pipeline is completed - ONLY sent if the pipeline does not exit successfully.",
-                    "hidden": true
-                },
-                "plaintext_email": {
-                    "type": "boolean",
-                    "description": "Send plain-text email instead of HTML.",
-                    "fa_icon": "fas fa-remove-format",
-                    "hidden": true
-                },
-                "max_multiqc_email_size": {
-                    "type": "string",
-                    "description": "File size limit when attaching MultiQC reports to summary emails.",
-                    "pattern": "^\\d+(\\.\\d+)?\\.?\\s*(K|M|G|T)?B$",
-                    "default": "25.MB",
-                    "fa_icon": "fas fa-file-upload",
-                    "hidden": true
-                },
-                "monochrome_logs": {
-                    "type": "boolean",
-                    "description": "Do not use coloured log outputs.",
-                    "fa_icon": "fas fa-palette",
-                    "hidden": true
-                },
-                "hook_url": {
-                    "type": "string",
-                    "description": "Incoming hook URL for messaging service",
-                    "fa_icon": "fas fa-people-group",
-                    "help_text": "Incoming hook URL for messaging service. Currently, only MS Teams is supported.",
-                    "hidden": true
-                },
-                "multiqc_config": {
-                    "type": "string",
-                    "description": "Custom config file to supply to MultiQC.",
-                    "fa_icon": "fas fa-cog",
-                    "hidden": true
-                },
-                "multiqc_logo": {
-                    "type": "string",
-                    "description": "Custom logo file to supply to MultiQC. File name must also be set in the MultiQC config file",
-                    "fa_icon": "fas fa-image",
-                    "hidden": true
-                },
-                "multiqc_methods_description": {
-                    "type": "string",
-                    "description": "Custom MultiQC yaml file containing HTML including a methods description.",
-                    "fa_icon": "fas fa-cog"
-                },
-                "tracedir": {
-                    "type": "string",
-                    "description": "Directory to keep pipeline Nextflow logs and reports.",
-                    "default": "${params.outdir}/pipeline_info",
-                    "fa_icon": "fas fa-cogs",
-                    "hidden": true
-                },
-                "validate_params": {
-                    "type": "boolean",
-                    "description": "Boolean whether to validate parameters against the schema at runtime",
-                    "default": true,
-                    "fa_icon": "fas fa-check-square",
-                    "hidden": true
-                },
-                "show_hidden_params": {
-                    "type": "boolean",
-                    "fa_icon": "far fa-eye-slash",
-                    "description": "Show all params when using `--help`",
-                    "hidden": true,
-                    "help_text": "By default, parameters set as _hidden_ in the schema are not shown on the command line when a user runs with `--help`. Specifying this option will tell the pipeline to show all parameters."
-                },
-                "enable_conda": {
-                    "type": "boolean",
-                    "description": "Run this workflow with Conda. You can also use '-profile conda' instead of providing this parameter.",
-                    "hidden": true,
-                    "fa_icon": "fas fa-bacon"
-                }
-            }
-        },
-        "reference_genome_options": {
-            "title": "Reference genome options",
-            "type": "object",
-            "fa_icon": "fas fa-dna",
-            "description": "Reference genome related files and options required for the workflow.",
-            "properties": {
-                "genome": {
-                    "type": "string",
-                    "description": "Name of iGenomes reference.",
-                    "fa_icon": "fas fa-book",
-                    "help_text": "If using a reference genome configured in the pipeline using iGenomes, use this parameter to give the ID for the reference. This is then used to build the full paths for all required reference genome files e.g. `--genome GRCh38`. \n\nSee the [nf-core website docs](https://nf-co.re/usage/reference_genomes) for more details.",
-                    "hidden": true
-                },
-                "igenomes_base": {
-                    "type": "string",
-                    "format": "directory-path",
-                    "description": "Directory / URL base for iGenomes references.",
-                    "default": "s3://ngi-igenomes/igenomes",
-                    "fa_icon": "fas fa-cloud-download-alt",
-                    "hidden": true
-                },
-                "igenomes_ignore": {
-                    "type": "boolean",
-                    "description": "Do not load the iGenomes reference config.",
-                    "fa_icon": "fas fa-ban",
-                    "hidden": true,
-                    "help_text": "Do not load `igenomes.config` when running the pipeline. You may choose this option if you observe clashes between custom parameters and those supplied in `igenomes.config`."
-                }
-            }
+  "$schema": "http://json-schema.org/draft-07/schema",
+  "$id": "https://raw.githubusercontent.com/nf-core/taxprofiler/master/nextflow_schema.json",
+  "title": "nf-core/taxprofiler pipeline parameters",
+  "description": "Taxonomic profiling of shotgun metagenomic data",
+  "type": "object",
+  "definitions": {
+    "input_output_options": {
+      "title": "Input/output options",
+      "type": "object",
+      "fa_icon": "fas fa-terminal",
+      "description": "Define where the pipeline should find input data and save output data.",
+      "required": ["input", "databases", "outdir"],
+      "properties": {
+        "input": {
+          "type": "string",
+          "format": "file-path",
+          "mimetype": "text/csv",
+          "pattern": "^\\S+\\.(csv|yaml|yml)$",
+          "schema": "assets/schema_input.json",
+          "description": "Path to comma-separated file containing information about the samples and libraries/runs.",
+          "help_text": "You will need to create a design file with information about the samples and libraries/runs you want to running in your pipeline run. Use this parameter to specify its location. It has to be a comma-separated file with 6 columns, and a header row. See [usage docs](https://nf-co.re/taxprofiler/usage#samplesheet-input).",
+          "fa_icon": "fas fa-file-csv"
+        },
+        "databases": {
+          "type": "string",
+          "mimetype": "text/csv",
+          "format": "file-path",
+          "fa_icon": "fas fa-database",
+          "description": "Path to comma-separated file containing information about databases and profiling parameters for each taxonomic profiler",
+          "help_text": "You will need to create a design file with information about the samples in your experiment before running the pipeline. Use this parameter to specify its location. It has to be a comma-separated file with 4 columns, and a header row. See [usage docs](https://nf-co.re/taxprofiler/dev/usage#full-database-sheet).\n\nProfilers will only be executed if a corresponding  database are supplied. \n\nWe recommend storing this database sheet somewhere centrally and accessible by others members of your lab/institutions, as this file will likely be regularly reused."
+        },
+        "outdir": {
+          "type": "string",
+          "format": "directory-path",
+          "description": "The output directory where the results will be saved. You have to use absolute paths to storage on Cloud infrastructure.",
+          "fa_icon": "fas fa-folder-open"
+        },
+        "email": {
+          "type": "string",
+          "description": "Email address for completion summary.",
+          "fa_icon": "fas fa-envelope",
+          "help_text": "Set this parameter to your e-mail address to get a summary e-mail with details of the run sent to you when the workflow exits. If set in your user config file (`~/.nextflow/config`) then you don't need to specify this on the command line for every run.",
+          "pattern": "^([a-zA-Z0-9_\\-\\.]+)@([a-zA-Z0-9_\\-\\.]+)\\.([a-zA-Z]{2,5})$"
+        },
+        "multiqc_title": {
+          "type": "string",
+          "description": "MultiQC report title. Printed as page header, used for filename if not otherwise specified.",
+          "fa_icon": "fas fa-file-signature"
+        }
+      }
+    },
+    "preprocessing_general_qc_options": {
+      "title": "Preprocessing general QC options",
+      "type": "object",
+      "description": "Common options across both long and short read preprocessing QC steps",
+      "default": "",
+      "properties": {
+        "save_preprocessed_reads": {
+          "type": "boolean",
+          "fa_icon": "fas fa-save",
+          "description": "Save reads from adapter clipping/pair-merging, length filtering for both short and long reads",
+          "help_text": "This saves the FASTQ output from the following tools:\n\n- fastp\n- AdapterRemoval\n- Porechop\n- Filtlong\n\nThese reads will be a mixture of: adapter clipped, quality trimmed, pair-merged, and length filtered, depending on the parameters you set."
+        }
+      },
+      "fa_icon": "fas fa-users-cog"
+    },
+    "preprocessing_short_read_qc_options": {
+      "title": "Preprocessing short-read QC options",
+      "type": "object",
+      "description": "Options for adapter clipping, quality trimming, pair-merging, and complexity filtering",
+      "default": "",
+      "properties": {
+        "perform_shortread_qc": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turns on short read quality control steps (adapter clipping, complexity filtering etc.)",
+          "help_text": "Turns on short read quality control steps (adapter clipping, complexity filtering etc.)\n\nThis subworkflow can perform:\n\n- Adapter removal\n- Read quality trimming\n- Read pair merging\n- Length filtering\n- Complexity filtering\n\nEither with fastp or AdapterRemoval.\n\nRemoving adapters (if present) is recommend to reduce false-postive hits that may occur from 'dirty' or 'contaminated' reference genomes in a profiling database that contain accidentially incorporated adapter sequences. Note that some, but not all, tools support paired-end alignment (utilising information about the insert covered by the pairs). However read pair merging in some cases can be recommend to increase read length (such as in aDNA). Length filtering, and/or complexity can speed up alignment by reducing the number of short unspecific reads that need to be aligned."
+        },
+        "shortread_qc_tool": {
+          "type": "string",
+          "default": "fastp",
+          "enum": ["fastp", "adapterremoval"],
+          "fa_icon": "fas fa-tools",
+          "description": "Specify which tool to use for short-read QC"
+        },
+        "shortread_qc_skipadaptertrim": {
+          "type": "boolean",
+          "fa_icon": "fas fa-forward",
+          "description": "Skip adapter trimming",
+          "help_text": "Skip the removal of sequencing adapters. \n\nThis often can be useful to speed up run-time of the pipeline when analysing data downloaded from public databases such as the ENA or SRA, as adapters should already be removed (however we recommend to check FastQC results to ensure this is the case)."
+        },
+        "shortread_qc_adapter1": {
+          "type": "string",
+          "default": "None",
+          "fa_icon": "fas fa-grip-lines",
+          "description": "Specify adapter 1 nucleotide sequence",
+          "help_text": "Specify a custom forward or R1 adapter sequence to be removed from reads. \n\nIf not set, the selected short-read QC tool's defaults will be used.\n\n> Modifies tool parameter(s):\n> - fastp: `--adapter_sequence`. fastp default: `AGATCGGAAGAGCACACGTCTGAACTCCAGTCA`\n> - AdapterRemoval: `--adapter1`. AdapteRemoval2 default: `AGATCGGAAGAGCACACGTCTGAACTCCAGTCACNNNNNNATCTCGTATGCCGTCTTCTGCTTG`"
+        },
+        "shortread_qc_adapter2": {
+          "type": "string",
+          "default": "None",
+          "fa_icon": "fas fa-grip-lines",
+          "description": "Specify adapter 2 nucleotide sequence",
+          "help_text": "Specify a custom reverse or R2 adapter sequence to be removed from reads. \n\nIf not set, the selected short-read QC tool's defaults will be used.\n\n> Modifies tool parameter(s):\n> - fastp: `--adapter_sequence`. fastp default: `AGATCGGAAGAGCGTCGTGTAGGGAAAGAGTGT`\n> - AdapterRemoval: `--adapter1`. AdapteRemoval2 default: `AGATCGGAAGAGCGTCGTGTAGGGAAAGAGTGTAGATCTCGGTGGTCGCCGTATCATT`"
+        },
+        "shortread_qc_adapterlist": {
+          "type": "string",
+          "default": "None",
+          "description": "Specify a list of all possible adapters to trim. Overrides --shortread_qc_adapter1/2. Formats: .txt (AdapterRemoval) or .fasta. (fastp).",
+          "help_text": "Allows to supply a file with a list of adapter (combinations) to remove from all files. \n\nOverrides the --shortread_qc_adapter1/--shortread_qc_adapter2 parameters . \n\nFor AdapterRemoval this consists of a two column table with a `.txt` extension: first column represents forward strand, second column for reverse strand. You must supply all possible combinations, one per line, and this list is applied to all files. See AdapterRemoval documentation for more information.\n\nFor fastp this consists of a standard FASTA format with a `.fasta`/`.fa`/`.fna`/`.fas` extension. The adapter sequence in this file should be at least 6bp long, otherwise it will be skipped. fastp trims the adapters present in the FASTA file one by one.\n\n> Modifies AdapterRemoval parameter: --adapter-list\n> Modifies fastp parameter: --adapter_fasta"
+        },
+        "shortread_qc_mergepairs": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turn on merging of read pairs for paired-end data",
+          "default": true,
+          "help_text": "Turn on the merging of read-pairs of paired-end short read sequencing data for AdapterRemoval (this is performed automatically with fastp).\n\n> Modifies tool parameter(s):\n> - AdapterRemoval: `--collapse`\n"
+        },
+        "shortread_qc_excludeunmerged": {
+          "type": "boolean",
+          "fa_icon": "far fa-times-circle",
+          "description": "Discard unmerged reads from paired-end merging",
+          "help_text": "Turns off the inclusion of unmerged reads in resulting processing FASTQ file of paired-end sequencing data when using `fastp`.\n\nThis can be useful in cases where you prefer to have very short reads (e.g. aDNA), thus excluding longer-reads or possibly faulty reads where one of the pair was discarded.\n\n> Modifies tool parameter(s):\n> - removed from reads `--include_unmerged`\n"
+        },
+        "shortread_qc_minlength": {
+          "type": "integer",
+          "default": 15,
+          "fa_icon": "fas fa-ruler-horizontal",
+          "description": "Specify the minimum length of reads to be retained",
+          "help_text": "Specifying a mimum read length filtering can speed up profiling by reducing the number of short unspecific reads that need to be match/aligned to the database.\n\n> Modifies tool parameter(s):\n> - removed from reads `--length_required`\n> - AdapterRemoval: `--minlength`"
+        },
+        "perform_shortread_complexityfilter": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turns on nucleotide sequence complexity filtering",
+          "help_text": "Turns on sequencing complexity filtering. Complexity filtering can be useful to increase run-time by removing unspecific read sequences that do not provide any informative taxon ID."
+        },
+        "shortread_complexityfilter_tool": {
+          "type": "string",
+          "default": "bbduk",
+          "enum": ["bbduk", "prinseqplusplus", "fastp"],
+          "fa_icon": "fas fa-hammer",
+          "description": "Specify which tool to use for complexity filtering"
+        },
+        "shortread_complexityfilter_entropy": {
+          "type": "number",
+          "default": 0.3,
+          "fa_icon": "fas fa-random",
+          "description": "Specify the minimum sequence entropy level for complexity filtering",
+          "help_text": "Specify the minimum 'entropy' value for complexity filtering for BBDuk or PRINSEQ++.\n\nNote that this value will only be used for PRINSEQ++ if `--shortread_complexityfilter_prinseqplusplus_mode` is set to `entropy`.\n\nEntropy here corresponds to the amount of sequence variation exists within the read. Higher values correspond to more variety, and thus will likely reslut in more specific matching to a taxon's reference genome. The trade off here is fewer reads (or abundance information) available for having a confident identification.\n\n\n> Modifies tool parameter(s):\n> - BBDuk: `entropy=`\n> - PRINSEQ++:  `-lc_entropy`\n\n"
+        },
+        "shortread_complexityfilter_bbduk_windowsize": {
+          "type": "integer",
+          "default": 50,
+          "fa_icon": "far fa-window-maximize",
+          "description": "Specify the window size for BBDuk complexity filtering",
+          "help_text": "Specify the window size to calculate the level entropy within for BBDuk.\n\n> Modifies tool parameter(s):\n> - BBDuk: `entropywindow=`"
+        },
+        "shortread_complexityfilter_bbduk_mask": {
+          "type": "boolean",
+          "fa_icon": "fas fa-mask",
+          "description": "Turn on masking rather than discarding of low complexity reads for BBduk",
+          "help_text": "Turn on masking of low-complexity reads (i.e., replacement with `N`) rather than removal.\n\n> Modifies tool parameter(s)\n> - BBDuk: `entropymask=`"
+        },
+        "shortread_complexityfilter_fastp_threshold": {
+          "type": "integer",
+          "default": 30,
+          "fa_icon": "fas fa-sort-numeric-down",
+          "description": "Specify the minimum complexity filter threshold of fastp",
+          "help_text": "Specify the minimum sequence complexity value for fastp. This value corresponds to the percentage of bases that is different from it's adjacent bases.\n\n> Modifies tool parameter(s):\n> - removed from reads `--complexity_threshold`"
+        },
+        "shortread_complexityfilter_prinseqplusplus_mode": {
+          "type": "string",
+          "default": "entropy",
+          "enum": ["entropy", "dust"],
+          "fa_icon": "fas fa-check-square",
+          "description": "Specify the complexity filter mode for PRINSEQ++"
+        },
+        "shortread_complexityfilter_prinseqplusplus_dustscore": {
+          "type": "number",
+          "default": 0.5,
+          "fa_icon": "fas fa-head-side-mask",
+          "description": "Specify the minimum dust score for PRINTSEQ++ complexity filtering",
+          "help_text": "Specify the minimum dust score below which low-complexity reads will be removed. A DUST score is based on how often different tri-nucleotides occur along a read.\n\n> Modifies tool parameter(s):\n> - PRINSEQ++: `--lc_dust`"
+        },
+        "save_complexityfiltered_reads": {
+          "type": "boolean",
+          "fa_icon": "fas fa-save",
+          "description": "Save complexity filtered short-reads",
+          "help_text": "Specify whether to save the final complexity filtered reads in your results directory (`--outdir`)."
         }
+      },
+      "fa_icon": "fas fa-compress-alt"
     },
-    "allOf": [
-        {
-            "$ref": "#/definitions/input_output_options"
+    "preprocessing_long_read_qc_options": {
+      "title": "Preprocessing long-read QC options",
+      "type": "object",
+      "description": "Options for adapter clipping, quality trimming, and length filtering",
+      "default": "",
+      "properties": {
+        "perform_longread_qc": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turns on long read quality control steps (adapter clipping, length filtering etc.)",
+          "help_text": "Turns on long read quality control steps (adapter clipping, length and/or quality filtering.)\n\nRemoving adapters (if present) is recommend to reduce false-postive hits that may occur from 'dirty' or 'contaminated' reference genomes in a profiling database that contain accidentially incorporated adapter sequences.\n\nLength filtering, and quality filtering can speed up alignment by reducing the number of unspecific reads that need to be aligned."
+        },
+        "longread_qc_skipadaptertrim": {
+          "type": "boolean",
+          "description": "Skip long-read trimming",
+          "fa_icon": "fas fa-forward",
+          "help_text": "Skip removal of adapters by Porechop. This can be useful in some cases to speed up run time - particularly when you are running data downloading from public databases such as the ENA/SRA that should already have adapters removed. We recommend that you check your FastQC results this is indeed the case."
+        },
+        "longread_qc_skipqualityfilter": {
+          "type": "boolean",
+          "description": "Skip long-read length and quality filtering",
+          "fa_icon": "fas fa-forward",
+          "help_text": "Skip removal of quality filtering with Filtlong. This will skip length, percent reads, and target bases filtering (see other `--longread_qc_qualityfilter_*` parameters)."
+        },
+        "longread_qc_qualityfilter_minlength": {
+          "type": "integer",
+          "default": 1000,
+          "description": "Specify the minimum length of reads to be retained",
+          "fa_icon": "fas fa-ruler-horizontal",
+          "help_text": "Specify the minimum of length of reads to be kept for downstream analysis.\n\n> Modifies tool parameter(s):\n> - Filtlong: `--min_length`"
+        },
+        "longread_qc_qualityfilter_keeppercent": {
+          "type": "integer",
+          "default": 90,
+          "description": "Specify the percent of high-quality bases to be retained",
+          "fa_icon": "fas fa-percentage",
+          "help_text": "Throw out the remaining percentage of reads outside the value. This is measured by bp, not by read count. So this option throws out the worst e.g. 10% of read bases if the parameter is set to `90`.  _Modified from [Filtlong documentation](https://github.com/rrwick/Filtlong)_\n\n> Modifies tool parameter(s):\n> - Filtlong: `--keep_percent`"
+        },
+        "longread_qc_qualityfilter_targetbases": {
+          "type": "integer",
+          "default": 500000000,
+          "description": "Specify the number of high-quality bases in the library to be retained",
+          "fa_icon": "fas fa-bullseye",
+          "help_text": "Removes the worst reads until only the specified value of bases remain, useful for very large read sets. If the input read set is less than the specified value, this setting will have no effect. _Modified from [Filtlong documentation](https://github.com/rrwick/Filtlong)_\n\n> Modifies tool parameter(s):\n> - Filtlong: `--keep_percent`"
+        }
+      },
+      "fa_icon": "fas fa-expand-alt"
+    },
+    "preprocessing_host_removal_options": {
+      "title": "Preprocessing host removal options",
+      "type": "object",
+      "description": "Options for pre-profiling host read removal",
+      "default": "",
+      "properties": {
+        "perform_shortread_hostremoval": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turn on short-read host removal",
+          "help_text": "Turns on the ability to remove short-reads from the that derived from a known organism, using Bowtie2 and samtools\n\nThis subworkflow is useful to remove reads that may come from a host, or a known contamination like the human reference genome. Human DNA contamination of (microbial) reference genomes is well known, so removal of these prior profiling both reduces the risks of false positives, and in _some cases_ a faster runtime (as less reads need to be profiled).\n\nAlternatively, you can include the reference genome within your profiling databases and can turn off this subworkflow, with the trade off of a larger taxonomic profiling database."
+        },
+        "perform_longread_hostremoval": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turn on long-read host removal",
+          "help_text": "Turns on the ability to remove long-reads from the that derived from a known organism, using minimap2 and samtools\n\nThis subworkflow is useful to remove reads that may come from a host, or a known contamination like the human reference genome. Human DNA contamination of (microbial) reference genomes is well known, so removal of these prior profiling both reduces the risks of false positives, and in _some cases_ a faster runtime (as less reads need to be profiled).\n\nAlternatively, you can include the reference genome within your profiling databases and can turn off this subworkflow, with the trade off of a larger taxonomic profiling database."
+        },
+        "hostremoval_reference": {
+          "type": "string",
+          "default": "None",
+          "fa_icon": "fas fa-file-alt",
+          "description": "Specify path to single reference FASTA of host(s) genome(s)",
+          "help_text": "Specify a path to the FASTA file (optionally gzipped) of the reference genome of the organism to be removed.\n\nIf you have two or more host organisms or contaminants you wish to remove, you can concatenate the FASTAs of the different taxa into a single one to provide to the pipeline."
+        },
+        "shortread_hostremoval_index": {
+          "type": "string",
+          "default": "None",
+          "fa_icon": "fas fa-address-book",
+          "description": "Specify path to the directory containing pre-made BowTie2 indexes of the host removal reference",
+          "help_text": "Specify the path to a _directory_ containing pre-made Bowtie2 reference index files (i.e. the directory containing `.bt1`, `.bt2` files etc.). These should sit in the same directory alongside the the reference file specified in `--hostremoval_reference`.\n\nSpecifying premade indices can speed up runtime of the host-removal step, however if not supplied the pipeline will generate the indices for you."
+        },
+        "longread_hostremoval_index": {
+          "type": "string",
+          "default": "None",
+          "fa_icon": "fas fa-address-book",
+          "description": "Specify path to a pre-made Minimap2 index file (.mmi) of the host removal reference",
+          "help_text": "Specify path to a pre-made Minimap2 index file (.mmi) of the host removal reference file given to `--hostremoval_reference`.\n\nSpecifying a premade index file can speed up runtime of the host-removal step, however if not supplied the pipeline will generate the indices for you."
+        },
+        "save_hostremoval_index": {
+          "type": "boolean",
+          "fa_icon": "fas fa-save",
+          "description": "Save mapping index of input reference when not already supplied by user",
+          "help_text": "Save the output files of the in-built indexing of the host genome.\n\nThis is recommend to be turned on if you plan to use the same reference genome multiple times, as supplying the directory or file to `--shortread_hostremoval_index` or `--longread_hostremoval_index` respectively can speed up runtime of future runs. Once generated, we recommend you place this file _outside_ of your run results directory in a central 'cache' directory you and others using your machine can access and supply to the pipeline."
+        },
+        "save_hostremoval_mapped": {
+          "type": "boolean",
+          "fa_icon": "fas fa-save",
+          "description": "Save mapped reads in BAM format from host removal",
+          "help_text": "Save the reads mapped to the reference genome in BAM format as output by the respective hostremoval alignment tool.\n\nThis can be useful if you wish to perform other analyses on the host organism (such as host-microbe interaction), however, you should consider whether the default mapping parameters of Bowtie2 (short-read) or minimap2 (long-read) are optimised to your context. "
+        },
+        "save_hostremoval_unmapped": {
+          "type": "boolean",
+          "fa_icon": "fas fa-save",
+          "description": "Save unmapped reads in FASTQ format from host removal",
+          "help_text": "Save the unreads mapped to the reference genome in FASTQ format (as exported from `samtools view`).\n\nThis can be useful if you wish to perform other analyses on the off-target reads from the host mapping, such as manual profiling or _de novo_ assembly."
+        }
+      },
+      "fa_icon": "fas fa-user-times"
+    },
+    "preprocessing_run_merging_options": {
+      "title": "Preprocessing run merging options",
+      "type": "object",
+      "description": "Options for per-sample run-merging",
+      "default": "",
+      "properties": {
+        "perform_runmerging": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turn on run merging",
+          "help_text": "Turns on the concatenation of sequencing runs or libraries with the same sample name.\n\nThis can be useful to ensure you get a single profile per sample, rather than one profile per run or library. Note that in some cases comparing profiles of independent _libraries_ may be useful, so this parameter may not always be suitable.  "
+        },
+        "save_runmerged_reads": {
+          "type": "boolean",
+          "fa_icon": "fas fa-save",
+          "description": "Save run-concatenated input FASTQ files for each sample",
+          "help_text": "Save the run- and library-concatenated reads of a given sample in FASTQ format."
+        }
+      },
+      "fa_icon": "fas fa-clipboard-check"
+    },
+    "profiling_options": {
+      "title": "Profiling options",
+      "type": "object",
+      "description": "",
+      "default": "",
+      "properties": {
+        "run_centrifuge": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turn on profiling with Centrifuge. Requires database to be present CSV file passed to --databases"
+        },
+        "centrifuge_save_reads": {
+          "type": "boolean",
+          "fa_icon": "fas fa-save",
+          "description": "Turn on saving of Centrifuge-aligned reads",
+          "help_text": "Save mapped (SAM, FASTQ) and unmapped (FASTQ) reads from alignment step of centrifuge in your output results directory.\n\n> Modifies tool parameter(s):\n> - centrifuge: `--un-gz`, `--al-gz`, `--un-conc-gz`, `--al-conc-gz`, `--out-fmt`"
+        },
+        "run_diamond": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turn on profiling with DIAMOND. Requires database to be present CSV file passed to --databases"
+        },
+        "diamond_output_format": {
+          "type": "string",
+          "default": "tsv",
+          "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"],
+          "fa_icon": "fas fa-file",
+          "description": "Specify output format from DIAMOND profiling.",
+          "help_text": "DIAMOND can produce output in a number of different formats, you can specify here which to produce.\n\nNote that DIAMOND can only produce one format at a time, and depending on which you pick, some downstream steps may not be executed. For example, selecting `daa` or `sam` will mean you will not get a tabular taxonomic profile as with the other tools.\n\nWill be overriden by `--diamond_save_reads.`\n\n> Modifies tool parameter(s):\n> - diamond blastx: `--outfmt`"
+        },
+        "diamond_save_reads": {
+          "type": "boolean",
+          "fa_icon": "fas fa-save",
+          "description": "Turn on saving of DIAMOND-aligned reads. Will override --diamond_output_format and no taxon tables will be generated",
+          "help_text": "Save aligned reads in SAM format from alignment step of DIAMOND in your output results directory.\n\nNote this explicitly overrides `--diamond_output_format` to produce the SAM file, and no taxon table will be generated.\n\n> Modifies tool parameter(s):\n> - DIAMOND: `--outfmt`"
+        },
+        "run_kaiju": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turn on profiling with Kaiju. Requires database to be present CSV file passed to --databases"
+        },
+        "kaiju_taxon_rank": {
+          "type": "string",
+          "default": "species",
+          "enum": ["phylum", "class", "order", "family", "genus", "species"],
+          "fa_icon": "fas fa-tag",
+          "description": "Specify taxonomic rank to be displayed in Kaiju taxon table",
+          "help_text": "Specify the taxonomic level(s) to be displayed in the resulting Kaiju taxon table, as generated by the kaiju2table helper tool.\n\nThis can be either a single level (e.g. `species`), or a comma separated list to display the full taxonomic path (e.g. `superkingdom,phylum,class,order,family,genus,species.`).\n\n> Modifies tool parameter(s):\n> - kaiju2table: `-l`"
         },
-        {
-            "$ref": "#/definitions/preprocessing_general_qc_options"
+        "run_kraken2": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turn on profiling with Kraken2. Requires database to be present CSV file passed to --databases"
         },
-        {
-            "$ref": "#/definitions/preprocessing_short_read_qc_options"
+        "kraken2_save_reads": {
+          "type": "boolean",
+          "fa_icon": "fas fa-save",
+          "description": "Turn on saving of Kraken2-aligned reads",
+          "help_text": "Save reads that do and do not have a taxonomic classification in your output results directory in FASTQ format.\n\n> Modifies tool parameter(s):\n> - kraken2: `--classified-out` and `--unclassified-out`"
         },
-        {
-            "$ref": "#/definitions/preprocessing_long_read_qc_options"
+        "kraken2_save_readclassification": {
+          "type": "boolean",
+          "fa_icon": "fas fa-save",
+          "description": "Turn on saving of Kraken2 per-read taxonomic assignment file",
+          "help_text": "Save a text file that contains a list of each read that had a taxonomic assignment, with information on specific taxonomic taxonomic assignment that that read recieved.\n\n> Modifies tool parameter(s):\n> - kraken2: `--output`"
         },
-        {
-            "$ref": "#/definitions/preprocessing_host_removal_options"
+        "kraken2_save_minimizers": {
+          "type": "boolean",
+          "description": "Turn on saving minimizer information in the kraken2 report thus increasing to an eight column layout.",
+          "fa_icon": "fas fa-save",
+          "help_text": "Turn on saving minimizer information in the kraken2 report thus increasing to an eight column layout.\n\nAdds `--report-minimizer-data` to the kraken2 command."
         },
-        {
-            "$ref": "#/definitions/preprocessing_run_merging_options"
+        "run_bracken": {
+          "type": "boolean",
+          "description": "Post-process kraken2 reports with Bracken.",
+          "fa_icon": "fas fa-toggle-on"
         },
-        {
-            "$ref": "#/definitions/profiling_options"
+        "run_malt": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turn on profiling with MALT. Requires database to be present CSV file passed to --databases"
         },
-        {
-            "$ref": "#/definitions/postprocessing_and_visualisation_options"
+        "malt_mode": {
+          "type": "string",
+          "default": "BlastN",
+          "fa_icon": "fas fa-check-square",
+          "description": "Specify which MALT alignment mode to use",
+          "help_text": "Specify which version of MALT alignment to use.\n\nBlastN is generally recommended (nucleotide-nucleotide alignment), but particularly for very short reads (such as aDNA), whereas BlastX mode is similar to DIAMOND and will translate the nucleotide to amino acid sequences. Note each type of alignment mode requires different parameters during database construction. Refer to the MALT manual for more information.\n\n> Modifies tool parameter(s):\n> - malt-run: `-mode` "
         },
-        {
-            "$ref": "#/definitions/institutional_config_options"
+        "malt_save_reads": {
+          "type": "boolean",
+          "fa_icon": "fas fa-save",
+          "description": "Turn on saving of MALT-aligned reads",
+          "help_text": "Turns on saving of MALT aligned reads in SAM format.\n\nNote that the SAM format produce by MALT is not completely valid, and may not work with downstream tools.\n\n> Modifies tool parameter(s):\n> - malt-run: `--alignments`, `-za`"
         },
-        {
-            "$ref": "#/definitions/max_job_request_options"
+        "malt_generate_megansummary": {
+          "type": "boolean",
+          "fa_icon": "fas fa-save",
+          "description": "Turn on generation of MEGAN summary file from MALT results",
+          "help_text": "Turns on saving of MALT output in an additional MEGAN summary file (`.megan`) that can be loaded into the MEGAN metagenomic exploration tool.\n\nNote: this file is generated not directly from MALT but rather then MEGAN utility script `rma2info`.\n\n> Modifies tool parameter(s):\n> - rma2info: `-es`"
         },
-        {
-            "$ref": "#/definitions/generic_options"
+        "run_metaphlan3": {
+          "type": "boolean",
+          "description": "Turn on profiling with MetaPhlAn3. Requires database to be present CSV file passed to --databases",
+          "fa_icon": "fas fa-toggle-on"
         },
-        {
-            "$ref": "#/definitions/reference_genome_options"
+        "run_motus": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turn on profiling with mOTUs. Requires database to be present CSV file passed to --databases"
         }
-    ],
-    "properties": {
+      },
+      "fa_icon": "fas fa-align-center"
+    },
+    "postprocessing_and_visualisation_options": {
+      "title": "Postprocessing and visualisation options",
+      "type": "object",
+      "description": "",
+      "default": "",
+      "properties": {
+        "run_profile_standardisation": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turn on standardisation of taxon tables across profilers",
+          "help_text": "Turns on standardisation of output OTU tables across all tools; each into a TSV format following the following scheme:\n\n|TAXON   | SAMPLE_A | SAMPLE_B |\n|-------------|----------------|-----------------|\n| taxon_a | 32               | 123             |\n| taxon_b | 1                 | 5                 |\n\nThis currently only is generated for mOTUs."
+        },
+        "generate_biom_output": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turn on generation of BIOM output (currently only applies to mOTUs)",
+          "help_text": "Turn on the saving of the taxonomic output in BIOM format (`.biom`) in the results directory of your pipeline run, instead of the default TSV format.\n\nNote this file is from the output of the `motus merge` command.\n\n> Modifies tool parameter(s):\n> - `-B -o`"
+        },
+        "run_krona": {
+          "type": "boolean",
+          "fa_icon": "fas fa-toggle-on",
+          "description": "Turn on generation of Krona plots for supported profilers",
+          "help_text": "Turn on the generation of Krona interactive pie-chart HTMLs for a selection of profilers.\n\nThe tools currently supported are:\n\n- centrifuge\n- kraken2\n- kaiju\n- MALT"
+        },
+        "krona_taxonomy_directory": {
+          "type": "string",
+          "default": "None",
+          "fa_icon": "fas fa-folder-open",
+          "description": "Specify path to krona taxonomy directories (required for MALT krona plots)",
+          "help_text": "Specify a path to a Krona taxonomy database directory (i.e. a directory containing a krona generated `.tab` file).\n\nThis is only required for generating Krona plots of MALT output.\n\nNote this taxonomy database must be downloaded and generated with the `updateTaxonomy.sh` script from the krona-tools package."
+        }
+      },
+      "fa_icon": "fas fa-chart-line"
+    },
+    "institutional_config_options": {
+      "title": "Institutional config options",
+      "type": "object",
+      "fa_icon": "fas fa-university",
+      "description": "Parameters used to describe centralised config profiles. These should not be edited.",
+      "help_text": "The centralised nf-core configuration profiles use a handful of pipeline parameters to describe themselves. This information is then printed to the Nextflow log when you run a pipeline. You should not need to change these values when you run a pipeline.",
+      "properties": {
+        "custom_config_version": {
+          "type": "string",
+          "description": "Git commit id for Institutional configs.",
+          "default": "master",
+          "hidden": true,
+          "fa_icon": "fas fa-users-cog"
+        },
+        "custom_config_base": {
+          "type": "string",
+          "description": "Base directory for Institutional configs.",
+          "default": "https://raw.githubusercontent.com/nf-core/configs/master",
+          "hidden": true,
+          "help_text": "If you're running offline, Nextflow will not be able to fetch the institutional config files from the internet. If you don't need them, then this is not a problem. If you do need them, you should download the files from the repo and tell Nextflow where to find them with this parameter.",
+          "fa_icon": "fas fa-users-cog"
+        },
+        "config_profile_name": {
+          "type": "string",
+          "description": "Institutional config name.",
+          "hidden": true,
+          "fa_icon": "fas fa-users-cog"
+        },
+        "config_profile_description": {
+          "type": "string",
+          "description": "Institutional config description.",
+          "hidden": true,
+          "fa_icon": "fas fa-users-cog"
+        },
+        "config_profile_contact": {
+          "type": "string",
+          "description": "Institutional config contact information.",
+          "hidden": true,
+          "fa_icon": "fas fa-users-cog"
+        },
+        "config_profile_url": {
+          "type": "string",
+          "description": "Institutional config URL link.",
+          "hidden": true,
+          "fa_icon": "fas fa-users-cog"
+        }
+      }
+    },
+    "max_job_request_options": {
+      "title": "Max job request options",
+      "type": "object",
+      "fa_icon": "fab fa-acquisitions-incorporated",
+      "description": "Set the top limit for requested resources for any single job.",
+      "help_text": "If you are running on a smaller system, a pipeline step requesting more resources than are available may cause the Nextflow to stop the run with an error. These options allow you to cap the maximum resources requested by any single job so that the pipeline will run on your system.\n\nNote that you can not _increase_ the resources requested by any job using these options. For that you will need your own configuration file. See [the nf-core website](https://nf-co.re/usage/configuration) for details.",
+      "properties": {
+        "max_cpus": {
+          "type": "integer",
+          "description": "Maximum number of CPUs that can be requested for any single job.",
+          "default": 16,
+          "fa_icon": "fas fa-microchip",
+          "hidden": true,
+          "help_text": "Use to set an upper-limit for the CPU requirement for each process. Should be an integer e.g. `--max_cpus 1`"
+        },
+        "max_memory": {
+          "type": "string",
+          "description": "Maximum amount of memory that can be requested for any single job.",
+          "default": "128.GB",
+          "fa_icon": "fas fa-memory",
+          "pattern": "^\\d+(\\.\\d+)?\\.?\\s*(K|M|G|T)?B$",
+          "hidden": true,
+          "help_text": "Use to set an upper-limit for the memory requirement for each process. Should be a string in the format integer-unit e.g. `--max_memory '8.GB'`"
+        },
+        "max_time": {
+          "type": "string",
+          "description": "Maximum amount of time that can be requested for any single job.",
+          "default": "240.h",
+          "fa_icon": "far fa-clock",
+          "pattern": "^(\\d+\\.?\\s*(s|m|h|day)\\s*)+$",
+          "hidden": true,
+          "help_text": "Use to set an upper-limit for the time requirement for each process. Should be a string in the format integer-unit e.g. `--max_time '2.h'`"
+        }
+      }
+    },
+    "generic_options": {
+      "title": "Generic options",
+      "type": "object",
+      "fa_icon": "fas fa-file-import",
+      "description": "Less common options for the pipeline, typically set in a config file.",
+      "help_text": "These options are common to all nf-core pipelines and allow you to customise some of the core preferences for how the pipeline runs.\n\nTypically these options would be set in a Nextflow config file loaded for all pipeline runs, such as `~/.nextflow/config`.",
+      "properties": {
+        "help": {
+          "type": "boolean",
+          "description": "Display help text.",
+          "fa_icon": "fas fa-question-circle",
+          "hidden": true
+        },
+        "publish_dir_mode": {
+          "type": "string",
+          "default": "copy",
+          "description": "Method used to save pipeline results to output directory.",
+          "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
+          "fa_icon": "fas fa-copy",
+          "enum": [
+            "symlink",
+            "rellink",
+            "link",
+            "copy",
+            "copyNoFollow",
+            "move"
+          ],
+          "hidden": true
+        },
+        "email_on_fail": {
+          "type": "string",
+          "description": "Email address for completion summary, only when pipeline fails.",
+          "fa_icon": "fas fa-exclamation-triangle",
+          "pattern": "^([a-zA-Z0-9_\\-\\.]+)@([a-zA-Z0-9_\\-\\.]+)\\.([a-zA-Z]{2,5})$",
+          "help_text": "An email address to send a summary email to when the pipeline is completed - ONLY sent if the pipeline does not exit successfully.",
+          "hidden": true
+        },
+        "plaintext_email": {
+          "type": "boolean",
+          "description": "Send plain-text email instead of HTML.",
+          "fa_icon": "fas fa-remove-format",
+          "hidden": true
+        },
+        "max_multiqc_email_size": {
+          "type": "string",
+          "description": "File size limit when attaching MultiQC reports to summary emails.",
+          "pattern": "^\\d+(\\.\\d+)?\\.?\\s*(K|M|G|T)?B$",
+          "default": "25.MB",
+          "fa_icon": "fas fa-file-upload",
+          "hidden": true
+        },
         "preprocessing_qc_tool": {
-            "type": "string",
-            "default": "fastqc",
-            "enum": ["fastqc", "falco"],
-            "help_text": "Falco is designed as a drop-in replacement for FastQC but written in C++ for faster computation. We particularly recommend using falco when using long reads (due to reduced memory constraints), however is also applicable for short reads.",
-            "description": "Specify the tool used for quality control of raw sequencing reads"
-        },
-        "save_mgc_counts": {
-            "type": "boolean",
-            "description": "Save the mgc reads count for mOTUs."
-        },
-        "save_ncbi_id": {
-            "type": "boolean",
-            "description": "Print NCBI taxonomic id for mOTUs."
-        },
-        "save_read_counts": {
-            "type": "boolean",
-            "description": "Print mOTUs result as counts instead of relative abundances."
+          "type": "string",
+          "default": "fastqc",
+          "enum": ["fastqc", "falco"],
+          "help_text": "Falco is designed as a drop-in replacement for FastQC but written in C++ for faster computation. We particularly recommend using falco when using long reads (due to reduced memory constraints), however is also applicable for short reads.",
+          "description": "Specify the tool used for quality control of raw sequencing reads"
+        },
+        "monochrome_logs": {
+          "type": "boolean",
+          "description": "Do not use coloured log outputs.",
+          "fa_icon": "fas fa-palette",
+          "hidden": true
+        },
+        "hook_url": {
+          "type": "string",
+          "description": "Incoming hook URL for messaging service",
+          "fa_icon": "fas fa-people-group",
+          "help_text": "Incoming hook URL for messaging service. Currently, only MS Teams is supported.",
+          "hidden": true
+        },
+        "multiqc_config": {
+          "type": "string",
+          "description": "Custom config file to supply to MultiQC.",
+          "fa_icon": "fas fa-cog",
+          "hidden": true
+        },
+        "multiqc_logo": {
+          "type": "string",
+          "description": "Custom logo file to supply to MultiQC. File name must also be set in the MultiQC config file",
+          "fa_icon": "fas fa-image",
+          "hidden": true
+        },
+        "multiqc_methods_description": {
+          "type": "string",
+          "description": "Custom MultiQC yaml file containing HTML including a methods description.",
+          "fa_icon": "fas fa-cog"
+        },
+        "tracedir": {
+          "type": "string",
+          "description": "Directory to keep pipeline Nextflow logs and reports.",
+          "default": "${params.outdir}/pipeline_info",
+          "fa_icon": "fas fa-cogs",
+          "hidden": true
+        },
+        "validate_params": {
+          "type": "boolean",
+          "description": "Boolean whether to validate parameters against the schema at runtime",
+          "default": true,
+          "fa_icon": "fas fa-check-square",
+          "hidden": true
+        },
+        "show_hidden_params": {
+          "type": "boolean",
+          "fa_icon": "far fa-eye-slash",
+          "description": "Show all params when using `--help`",
+          "hidden": true,
+          "help_text": "By default, parameters set as _hidden_ in the schema are not shown on the command line when a user runs with `--help`. Specifying this option will tell the pipeline to show all parameters."
+        },
+        "enable_conda": {
+          "type": "boolean",
+          "description": "Run this workflow with Conda. You can also use '-profile conda' instead of providing this parameter.",
+          "hidden": true,
+          "fa_icon": "fas fa-bacon"
         }
+      }
+    },
+    "reference_genome_options": {
+      "title": "Reference genome options",
+      "type": "object",
+      "fa_icon": "fas fa-dna",
+      "description": "Reference genome related files and options required for the workflow.",
+      "properties": {
+        "genome": {
+          "type": "string",
+          "description": "Name of iGenomes reference.",
+          "fa_icon": "fas fa-book",
+          "help_text": "If using a reference genome configured in the pipeline using iGenomes, use this parameter to give the ID for the reference. This is then used to build the full paths for all required reference genome files e.g. `--genome GRCh38`. \n\nSee the [nf-core website docs](https://nf-co.re/usage/reference_genomes) for more details.",
+          "hidden": true
+        },
+        "igenomes_base": {
+          "type": "string",
+          "format": "directory-path",
+          "description": "Directory / URL base for iGenomes references.",
+          "default": "s3://ngi-igenomes/igenomes",
+          "fa_icon": "fas fa-cloud-download-alt",
+          "hidden": true
+        },
+        "igenomes_ignore": {
+          "type": "boolean",
+          "description": "Do not load the iGenomes reference config.",
+          "fa_icon": "fas fa-ban",
+          "hidden": true,
+          "help_text": "Do not load `igenomes.config` when running the pipeline. You may choose this option if you observe clashes between custom parameters and those supplied in `igenomes.config`."
+        }
+      }
+    }
+  },
+  "allOf": [
+    {
+      "$ref": "#/definitions/input_output_options"
+    },
+    {
+      "$ref": "#/definitions/preprocessing_general_qc_options"
+    },
+    {
+      "$ref": "#/definitions/preprocessing_short_read_qc_options"
+    },
+    {
+      "$ref": "#/definitions/preprocessing_long_read_qc_options"
+    },
+    {
+      "$ref": "#/definitions/preprocessing_host_removal_options"
+    },
+    {
+      "$ref": "#/definitions/preprocessing_run_merging_options"
+    },
+    {
+      "$ref": "#/definitions/profiling_options"
+    },
+    {
+      "$ref": "#/definitions/postprocessing_and_visualisation_options"
+    },
+    {
+      "$ref": "#/definitions/institutional_config_options"
+    },
+    {
+      "$ref": "#/definitions/max_job_request_options"
+    },
+    {
+      "$ref": "#/definitions/generic_options"
+    },
+    {
+      "$ref": "#/definitions/reference_genome_options"
+    }
+  ],
+  "properties": {
+    "save_mgc_counts": {
+      "type": "boolean",
+      "description": "Save the mgc reads count for mOTUs."
+    },
+    "save_ncbi_id": {
+      "type": "boolean",
+      "description": "Print NCBI taxonomic id for mOTUs."
+    },
+    "save_read_counts": {
+      "type": "boolean",
+      "description": "Print mOTUs result as counts instead of relative abundances."
     }
+  }
 }

From 12dd836e9c3f99d1028d43d6745ae66f48b6a2f4 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Tue, 29 Nov 2022 15:00:27 +0100
Subject: [PATCH 494/789] Fix conflict

---
 nextflow_schema.json | 1512 +++++++++++++++++++++---------------------
 1 file changed, 771 insertions(+), 741 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index df4b4e7..0ec5d48 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -1,756 +1,786 @@
 {
-  "$schema": "http://json-schema.org/draft-07/schema",
-  "$id": "https://raw.githubusercontent.com/nf-core/taxprofiler/master/nextflow_schema.json",
-  "title": "nf-core/taxprofiler pipeline parameters",
-  "description": "Taxonomic profiling of shotgun metagenomic data",
-  "type": "object",
-  "definitions": {
-    "input_output_options": {
-      "title": "Input/output options",
-      "type": "object",
-      "fa_icon": "fas fa-terminal",
-      "description": "Define where the pipeline should find input data and save output data.",
-      "required": ["input", "databases", "outdir"],
-      "properties": {
-        "input": {
-          "type": "string",
-          "format": "file-path",
-          "mimetype": "text/csv",
-          "pattern": "^\\S+\\.(csv|yaml|yml)$",
-          "schema": "assets/schema_input.json",
-          "description": "Path to comma-separated file containing information about the samples and libraries/runs.",
-          "help_text": "You will need to create a design file with information about the samples and libraries/runs you want to running in your pipeline run. Use this parameter to specify its location. It has to be a comma-separated file with 6 columns, and a header row. See [usage docs](https://nf-co.re/taxprofiler/usage#samplesheet-input).",
-          "fa_icon": "fas fa-file-csv"
-        },
-        "databases": {
-          "type": "string",
-          "mimetype": "text/csv",
-          "format": "file-path",
-          "fa_icon": "fas fa-database",
-          "description": "Path to comma-separated file containing information about databases and profiling parameters for each taxonomic profiler",
-          "help_text": "You will need to create a design file with information about the samples in your experiment before running the pipeline. Use this parameter to specify its location. It has to be a comma-separated file with 4 columns, and a header row. See [usage docs](https://nf-co.re/taxprofiler/dev/usage#full-database-sheet).\n\nProfilers will only be executed if a corresponding  database are supplied. \n\nWe recommend storing this database sheet somewhere centrally and accessible by others members of your lab/institutions, as this file will likely be regularly reused."
-        },
-        "outdir": {
-          "type": "string",
-          "format": "directory-path",
-          "description": "The output directory where the results will be saved. You have to use absolute paths to storage on Cloud infrastructure.",
-          "fa_icon": "fas fa-folder-open"
-        },
-        "email": {
-          "type": "string",
-          "description": "Email address for completion summary.",
-          "fa_icon": "fas fa-envelope",
-          "help_text": "Set this parameter to your e-mail address to get a summary e-mail with details of the run sent to you when the workflow exits. If set in your user config file (`~/.nextflow/config`) then you don't need to specify this on the command line for every run.",
-          "pattern": "^([a-zA-Z0-9_\\-\\.]+)@([a-zA-Z0-9_\\-\\.]+)\\.([a-zA-Z]{2,5})$"
-        },
-        "multiqc_title": {
-          "type": "string",
-          "description": "MultiQC report title. Printed as page header, used for filename if not otherwise specified.",
-          "fa_icon": "fas fa-file-signature"
-        }
-      }
-    },
-    "preprocessing_general_qc_options": {
-      "title": "Preprocessing general QC options",
-      "type": "object",
-      "description": "Common options across both long and short read preprocessing QC steps",
-      "default": "",
-      "properties": {
-        "save_preprocessed_reads": {
-          "type": "boolean",
-          "fa_icon": "fas fa-save",
-          "description": "Save reads from adapter clipping/pair-merging, length filtering for both short and long reads",
-          "help_text": "This saves the FASTQ output from the following tools:\n\n- fastp\n- AdapterRemoval\n- Porechop\n- Filtlong\n\nThese reads will be a mixture of: adapter clipped, quality trimmed, pair-merged, and length filtered, depending on the parameters you set."
-        }
-      },
-      "fa_icon": "fas fa-users-cog"
-    },
-    "preprocessing_short_read_qc_options": {
-      "title": "Preprocessing short-read QC options",
-      "type": "object",
-      "description": "Options for adapter clipping, quality trimming, pair-merging, and complexity filtering",
-      "default": "",
-      "properties": {
-        "perform_shortread_qc": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turns on short read quality control steps (adapter clipping, complexity filtering etc.)",
-          "help_text": "Turns on short read quality control steps (adapter clipping, complexity filtering etc.)\n\nThis subworkflow can perform:\n\n- Adapter removal\n- Read quality trimming\n- Read pair merging\n- Length filtering\n- Complexity filtering\n\nEither with fastp or AdapterRemoval.\n\nRemoving adapters (if present) is recommend to reduce false-postive hits that may occur from 'dirty' or 'contaminated' reference genomes in a profiling database that contain accidentially incorporated adapter sequences. Note that some, but not all, tools support paired-end alignment (utilising information about the insert covered by the pairs). However read pair merging in some cases can be recommend to increase read length (such as in aDNA). Length filtering, and/or complexity can speed up alignment by reducing the number of short unspecific reads that need to be aligned."
-        },
-        "shortread_qc_tool": {
-          "type": "string",
-          "default": "fastp",
-          "enum": ["fastp", "adapterremoval"],
-          "fa_icon": "fas fa-tools",
-          "description": "Specify which tool to use for short-read QC"
-        },
-        "shortread_qc_skipadaptertrim": {
-          "type": "boolean",
-          "fa_icon": "fas fa-forward",
-          "description": "Skip adapter trimming",
-          "help_text": "Skip the removal of sequencing adapters. \n\nThis often can be useful to speed up run-time of the pipeline when analysing data downloaded from public databases such as the ENA or SRA, as adapters should already be removed (however we recommend to check FastQC results to ensure this is the case)."
-        },
-        "shortread_qc_adapter1": {
-          "type": "string",
-          "default": "None",
-          "fa_icon": "fas fa-grip-lines",
-          "description": "Specify adapter 1 nucleotide sequence",
-          "help_text": "Specify a custom forward or R1 adapter sequence to be removed from reads. \n\nIf not set, the selected short-read QC tool's defaults will be used.\n\n> Modifies tool parameter(s):\n> - fastp: `--adapter_sequence`. fastp default: `AGATCGGAAGAGCACACGTCTGAACTCCAGTCA`\n> - AdapterRemoval: `--adapter1`. AdapteRemoval2 default: `AGATCGGAAGAGCACACGTCTGAACTCCAGTCACNNNNNNATCTCGTATGCCGTCTTCTGCTTG`"
-        },
-        "shortread_qc_adapter2": {
-          "type": "string",
-          "default": "None",
-          "fa_icon": "fas fa-grip-lines",
-          "description": "Specify adapter 2 nucleotide sequence",
-          "help_text": "Specify a custom reverse or R2 adapter sequence to be removed from reads. \n\nIf not set, the selected short-read QC tool's defaults will be used.\n\n> Modifies tool parameter(s):\n> - fastp: `--adapter_sequence`. fastp default: `AGATCGGAAGAGCGTCGTGTAGGGAAAGAGTGT`\n> - AdapterRemoval: `--adapter1`. AdapteRemoval2 default: `AGATCGGAAGAGCGTCGTGTAGGGAAAGAGTGTAGATCTCGGTGGTCGCCGTATCATT`"
-        },
-        "shortread_qc_adapterlist": {
-          "type": "string",
-          "default": "None",
-          "description": "Specify a list of all possible adapters to trim. Overrides --shortread_qc_adapter1/2. Formats: .txt (AdapterRemoval) or .fasta. (fastp).",
-          "help_text": "Allows to supply a file with a list of adapter (combinations) to remove from all files. \n\nOverrides the --shortread_qc_adapter1/--shortread_qc_adapter2 parameters . \n\nFor AdapterRemoval this consists of a two column table with a `.txt` extension: first column represents forward strand, second column for reverse strand. You must supply all possible combinations, one per line, and this list is applied to all files. See AdapterRemoval documentation for more information.\n\nFor fastp this consists of a standard FASTA format with a `.fasta`/`.fa`/`.fna`/`.fas` extension. The adapter sequence in this file should be at least 6bp long, otherwise it will be skipped. fastp trims the adapters present in the FASTA file one by one.\n\n> Modifies AdapterRemoval parameter: --adapter-list\n> Modifies fastp parameter: --adapter_fasta"
-        },
-        "shortread_qc_mergepairs": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turn on merging of read pairs for paired-end data",
-          "default": true,
-          "help_text": "Turn on the merging of read-pairs of paired-end short read sequencing data for AdapterRemoval (this is performed automatically with fastp).\n\n> Modifies tool parameter(s):\n> - AdapterRemoval: `--collapse`\n"
-        },
-        "shortread_qc_excludeunmerged": {
-          "type": "boolean",
-          "fa_icon": "far fa-times-circle",
-          "description": "Discard unmerged reads from paired-end merging",
-          "help_text": "Turns off the inclusion of unmerged reads in resulting processing FASTQ file of paired-end sequencing data when using `fastp`.\n\nThis can be useful in cases where you prefer to have very short reads (e.g. aDNA), thus excluding longer-reads or possibly faulty reads where one of the pair was discarded.\n\n> Modifies tool parameter(s):\n> - removed from reads `--include_unmerged`\n"
-        },
-        "shortread_qc_minlength": {
-          "type": "integer",
-          "default": 15,
-          "fa_icon": "fas fa-ruler-horizontal",
-          "description": "Specify the minimum length of reads to be retained",
-          "help_text": "Specifying a mimum read length filtering can speed up profiling by reducing the number of short unspecific reads that need to be match/aligned to the database.\n\n> Modifies tool parameter(s):\n> - removed from reads `--length_required`\n> - AdapterRemoval: `--minlength`"
-        },
-        "perform_shortread_complexityfilter": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turns on nucleotide sequence complexity filtering",
-          "help_text": "Turns on sequencing complexity filtering. Complexity filtering can be useful to increase run-time by removing unspecific read sequences that do not provide any informative taxon ID."
-        },
-        "shortread_complexityfilter_tool": {
-          "type": "string",
-          "default": "bbduk",
-          "enum": ["bbduk", "prinseqplusplus", "fastp"],
-          "fa_icon": "fas fa-hammer",
-          "description": "Specify which tool to use for complexity filtering"
-        },
-        "shortread_complexityfilter_entropy": {
-          "type": "number",
-          "default": 0.3,
-          "fa_icon": "fas fa-random",
-          "description": "Specify the minimum sequence entropy level for complexity filtering",
-          "help_text": "Specify the minimum 'entropy' value for complexity filtering for BBDuk or PRINSEQ++.\n\nNote that this value will only be used for PRINSEQ++ if `--shortread_complexityfilter_prinseqplusplus_mode` is set to `entropy`.\n\nEntropy here corresponds to the amount of sequence variation exists within the read. Higher values correspond to more variety, and thus will likely reslut in more specific matching to a taxon's reference genome. The trade off here is fewer reads (or abundance information) available for having a confident identification.\n\n\n> Modifies tool parameter(s):\n> - BBDuk: `entropy=`\n> - PRINSEQ++:  `-lc_entropy`\n\n"
-        },
-        "shortread_complexityfilter_bbduk_windowsize": {
-          "type": "integer",
-          "default": 50,
-          "fa_icon": "far fa-window-maximize",
-          "description": "Specify the window size for BBDuk complexity filtering",
-          "help_text": "Specify the window size to calculate the level entropy within for BBDuk.\n\n> Modifies tool parameter(s):\n> - BBDuk: `entropywindow=`"
-        },
-        "shortread_complexityfilter_bbduk_mask": {
-          "type": "boolean",
-          "fa_icon": "fas fa-mask",
-          "description": "Turn on masking rather than discarding of low complexity reads for BBduk",
-          "help_text": "Turn on masking of low-complexity reads (i.e., replacement with `N`) rather than removal.\n\n> Modifies tool parameter(s)\n> - BBDuk: `entropymask=`"
-        },
-        "shortread_complexityfilter_fastp_threshold": {
-          "type": "integer",
-          "default": 30,
-          "fa_icon": "fas fa-sort-numeric-down",
-          "description": "Specify the minimum complexity filter threshold of fastp",
-          "help_text": "Specify the minimum sequence complexity value for fastp. This value corresponds to the percentage of bases that is different from it's adjacent bases.\n\n> Modifies tool parameter(s):\n> - removed from reads `--complexity_threshold`"
-        },
-        "shortread_complexityfilter_prinseqplusplus_mode": {
-          "type": "string",
-          "default": "entropy",
-          "enum": ["entropy", "dust"],
-          "fa_icon": "fas fa-check-square",
-          "description": "Specify the complexity filter mode for PRINSEQ++"
-        },
-        "shortread_complexityfilter_prinseqplusplus_dustscore": {
-          "type": "number",
-          "default": 0.5,
-          "fa_icon": "fas fa-head-side-mask",
-          "description": "Specify the minimum dust score for PRINTSEQ++ complexity filtering",
-          "help_text": "Specify the minimum dust score below which low-complexity reads will be removed. A DUST score is based on how often different tri-nucleotides occur along a read.\n\n> Modifies tool parameter(s):\n> - PRINSEQ++: `--lc_dust`"
-        },
-        "save_complexityfiltered_reads": {
-          "type": "boolean",
-          "fa_icon": "fas fa-save",
-          "description": "Save complexity filtered short-reads",
-          "help_text": "Specify whether to save the final complexity filtered reads in your results directory (`--outdir`)."
+    "$schema": "http://json-schema.org/draft-07/schema",
+    "$id": "https://raw.githubusercontent.com/nf-core/taxprofiler/master/nextflow_schema.json",
+    "title": "nf-core/taxprofiler pipeline parameters",
+    "description": "Taxonomic profiling of shotgun metagenomic data",
+    "type": "object",
+    "definitions": {
+        "input_output_options": {
+            "title": "Input/output options",
+            "type": "object",
+            "fa_icon": "fas fa-terminal",
+            "description": "Define where the pipeline should find input data and save output data.",
+            "required": [
+                "input",
+                "databases",
+                "outdir"
+            ],
+            "properties": {
+                "input": {
+                    "type": "string",
+                    "format": "file-path",
+                    "mimetype": "text/csv",
+                    "pattern": "^\\S+\\.(csv|yaml|yml)$",
+                    "schema": "assets/schema_input.json",
+                    "description": "Path to comma-separated file containing information about the samples and libraries/runs.",
+                    "help_text": "You will need to create a design file with information about the samples and libraries/runs you want to running in your pipeline run. Use this parameter to specify its location. It has to be a comma-separated file with 6 columns, and a header row. See [usage docs](https://nf-co.re/taxprofiler/usage#samplesheet-input).",
+                    "fa_icon": "fas fa-file-csv"
+                },
+                "databases": {
+                    "type": "string",
+                    "mimetype": "text/csv",
+                    "format": "file-path",
+                    "fa_icon": "fas fa-database",
+                    "description": "Path to comma-separated file containing information about databases and profiling parameters for each taxonomic profiler",
+                    "help_text": "You will need to create a design file with information about the samples in your experiment before running the pipeline. Use this parameter to specify its location. It has to be a comma-separated file with 4 columns, and a header row. See [usage docs](https://nf-co.re/taxprofiler/dev/usage#full-database-sheet).\n\nProfilers will only be executed if a corresponding  database are supplied. \n\nWe recommend storing this database sheet somewhere centrally and accessible by others members of your lab/institutions, as this file will likely be regularly reused."
+                },
+                "outdir": {
+                    "type": "string",
+                    "format": "directory-path",
+                    "description": "The output directory where the results will be saved. You have to use absolute paths to storage on Cloud infrastructure.",
+                    "fa_icon": "fas fa-folder-open"
+                },
+                "email": {
+                    "type": "string",
+                    "description": "Email address for completion summary.",
+                    "fa_icon": "fas fa-envelope",
+                    "help_text": "Set this parameter to your e-mail address to get a summary e-mail with details of the run sent to you when the workflow exits. If set in your user config file (`~/.nextflow/config`) then you don't need to specify this on the command line for every run.",
+                    "pattern": "^([a-zA-Z0-9_\\-\\.]+)@([a-zA-Z0-9_\\-\\.]+)\\.([a-zA-Z]{2,5})$"
+                },
+                "multiqc_title": {
+                    "type": "string",
+                    "description": "MultiQC report title. Printed as page header, used for filename if not otherwise specified.",
+                    "fa_icon": "fas fa-file-signature"
+                }
+            }
+        },
+        "preprocessing_general_qc_options": {
+            "title": "Preprocessing general QC options",
+            "type": "object",
+            "description": "Common options across both long and short read preprocessing QC steps",
+            "default": "",
+            "properties": {
+                "save_preprocessed_reads": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Save reads from adapter clipping/pair-merging, length filtering for both short and long reads",
+                    "help_text": "This saves the FASTQ output from the following tools:\n\n- fastp\n- AdapterRemoval\n- Porechop\n- Filtlong\n\nThese reads will be a mixture of: adapter clipped, quality trimmed, pair-merged, and length filtered, depending on the parameters you set."
+                }
+            },
+            "fa_icon": "fas fa-users-cog"
+        },
+        "preprocessing_short_read_qc_options": {
+            "title": "Preprocessing short-read QC options",
+            "type": "object",
+            "description": "Options for adapter clipping, quality trimming, pair-merging, and complexity filtering",
+            "default": "",
+            "properties": {
+                "perform_shortread_qc": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turns on short read quality control steps (adapter clipping, complexity filtering etc.)",
+                    "help_text": "Turns on short read quality control steps (adapter clipping, complexity filtering etc.)\n\nThis subworkflow can perform:\n\n- Adapter removal\n- Read quality trimming\n- Read pair merging\n- Length filtering\n- Complexity filtering\n\nEither with fastp or AdapterRemoval.\n\nRemoving adapters (if present) is recommend to reduce false-postive hits that may occur from 'dirty' or 'contaminated' reference genomes in a profiling database that contain accidentially incorporated adapter sequences. Note that some, but not all, tools support paired-end alignment (utilising information about the insert covered by the pairs). However read pair merging in some cases can be recommend to increase read length (such as in aDNA). Length filtering, and/or complexity can speed up alignment by reducing the number of short unspecific reads that need to be aligned."
+                },
+                "shortread_qc_tool": {
+                    "type": "string",
+                    "default": "fastp",
+                    "enum": [
+                        "fastp",
+                        "adapterremoval"
+                    ],
+                    "fa_icon": "fas fa-tools",
+                    "description": "Specify which tool to use for short-read QC"
+                },
+                "shortread_qc_skipadaptertrim": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-forward",
+                    "description": "Skip adapter trimming",
+                    "help_text": "Skip the removal of sequencing adapters. \n\nThis often can be useful to speed up run-time of the pipeline when analysing data downloaded from public databases such as the ENA or SRA, as adapters should already be removed (however we recommend to check FastQC results to ensure this is the case)."
+                },
+                "shortread_qc_adapter1": {
+                    "type": "string",
+                    "default": "None",
+                    "fa_icon": "fas fa-grip-lines",
+                    "description": "Specify adapter 1 nucleotide sequence",
+                    "help_text": "Specify a custom forward or R1 adapter sequence to be removed from reads. \n\nIf not set, the selected short-read QC tool's defaults will be used.\n\n> Modifies tool parameter(s):\n> - fastp: `--adapter_sequence`. fastp default: `AGATCGGAAGAGCACACGTCTGAACTCCAGTCA`\n> - AdapterRemoval: `--adapter1`. AdapteRemoval2 default: `AGATCGGAAGAGCACACGTCTGAACTCCAGTCACNNNNNNATCTCGTATGCCGTCTTCTGCTTG`"
+                },
+                "shortread_qc_adapter2": {
+                    "type": "string",
+                    "default": "None",
+                    "fa_icon": "fas fa-grip-lines",
+                    "description": "Specify adapter 2 nucleotide sequence",
+                    "help_text": "Specify a custom reverse or R2 adapter sequence to be removed from reads. \n\nIf not set, the selected short-read QC tool's defaults will be used.\n\n> Modifies tool parameter(s):\n> - fastp: `--adapter_sequence`. fastp default: `AGATCGGAAGAGCGTCGTGTAGGGAAAGAGTGT`\n> - AdapterRemoval: `--adapter1`. AdapteRemoval2 default: `AGATCGGAAGAGCGTCGTGTAGGGAAAGAGTGTAGATCTCGGTGGTCGCCGTATCATT`"
+                },
+                "shortread_qc_adapterlist": {
+                    "type": "string",
+                    "default": "None",
+                    "description": "Specify a list of all possible adapters to trim. Overrides --shortread_qc_adapter1/2. Formats: .txt (AdapterRemoval) or .fasta. (fastp).",
+                    "help_text": "Allows to supply a file with a list of adapter (combinations) to remove from all files. \n\nOverrides the --shortread_qc_adapter1/--shortread_qc_adapter2 parameters . \n\nFor AdapterRemoval this consists of a two column table with a `.txt` extension: first column represents forward strand, second column for reverse strand. You must supply all possible combinations, one per line, and this list is applied to all files. See AdapterRemoval documentation for more information.\n\nFor fastp this consists of a standard FASTA format with a `.fasta`/`.fa`/`.fna`/`.fas` extension. The adapter sequence in this file should be at least 6bp long, otherwise it will be skipped. fastp trims the adapters present in the FASTA file one by one.\n\n> Modifies AdapterRemoval parameter: --adapter-list\n> Modifies fastp parameter: --adapter_fasta"
+                },
+                "shortread_qc_mergepairs": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on merging of read pairs for paired-end data",
+                    "default": true,
+                    "help_text": "Turn on the merging of read-pairs of paired-end short read sequencing data for AdapterRemoval (this is performed automatically with fastp).\n\n> Modifies tool parameter(s):\n> - AdapterRemoval: `--collapse`\n"
+                },
+                "shortread_qc_excludeunmerged": {
+                    "type": "boolean",
+                    "fa_icon": "far fa-times-circle",
+                    "description": "Discard unmerged reads from paired-end merging",
+                    "help_text": "Turns off the inclusion of unmerged reads in resulting processing FASTQ file of paired-end sequencing data when using `fastp`.\n\nThis can be useful in cases where you prefer to have very short reads (e.g. aDNA), thus excluding longer-reads or possibly faulty reads where one of the pair was discarded.\n\n> Modifies tool parameter(s):\n> - removed from reads `--include_unmerged`\n"
+                },
+                "shortread_qc_minlength": {
+                    "type": "integer",
+                    "default": 15,
+                    "fa_icon": "fas fa-ruler-horizontal",
+                    "description": "Specify the minimum length of reads to be retained",
+                    "help_text": "Specifying a mimum read length filtering can speed up profiling by reducing the number of short unspecific reads that need to be match/aligned to the database.\n\n> Modifies tool parameter(s):\n> - removed from reads `--length_required`\n> - AdapterRemoval: `--minlength`"
+                },
+                "perform_shortread_complexityfilter": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turns on nucleotide sequence complexity filtering",
+                    "help_text": "Turns on sequencing complexity filtering. Complexity filtering can be useful to increase run-time by removing unspecific read sequences that do not provide any informative taxon ID."
+                },
+                "shortread_complexityfilter_tool": {
+                    "type": "string",
+                    "default": "bbduk",
+                    "enum": [
+                        "bbduk",
+                        "prinseqplusplus",
+                        "fastp"
+                    ],
+                    "fa_icon": "fas fa-hammer",
+                    "description": "Specify which tool to use for complexity filtering"
+                },
+                "shortread_complexityfilter_entropy": {
+                    "type": "number",
+                    "default": 0.3,
+                    "fa_icon": "fas fa-random",
+                    "description": "Specify the minimum sequence entropy level for complexity filtering",
+                    "help_text": "Specify the minimum 'entropy' value for complexity filtering for BBDuk or PRINSEQ++.\n\nNote that this value will only be used for PRINSEQ++ if `--shortread_complexityfilter_prinseqplusplus_mode` is set to `entropy`.\n\nEntropy here corresponds to the amount of sequence variation exists within the read. Higher values correspond to more variety, and thus will likely reslut in more specific matching to a taxon's reference genome. The trade off here is fewer reads (or abundance information) available for having a confident identification.\n\n\n> Modifies tool parameter(s):\n> - BBDuk: `entropy=`\n> - PRINSEQ++:  `-lc_entropy`\n\n"
+                },
+                "shortread_complexityfilter_bbduk_windowsize": {
+                    "type": "integer",
+                    "default": 50,
+                    "fa_icon": "far fa-window-maximize",
+                    "description": "Specify the window size for BBDuk complexity filtering",
+                    "help_text": "Specify the window size to calculate the level entropy within for BBDuk.\n\n> Modifies tool parameter(s):\n> - BBDuk: `entropywindow=`"
+                },
+                "shortread_complexityfilter_bbduk_mask": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-mask",
+                    "description": "Turn on masking rather than discarding of low complexity reads for BBduk",
+                    "help_text": "Turn on masking of low-complexity reads (i.e., replacement with `N`) rather than removal.\n\n> Modifies tool parameter(s)\n> - BBDuk: `entropymask=`"
+                },
+                "shortread_complexityfilter_fastp_threshold": {
+                    "type": "integer",
+                    "default": 30,
+                    "fa_icon": "fas fa-sort-numeric-down",
+                    "description": "Specify the minimum complexity filter threshold of fastp",
+                    "help_text": "Specify the minimum sequence complexity value for fastp. This value corresponds to the percentage of bases that is different from it's adjacent bases.\n\n> Modifies tool parameter(s):\n> - removed from reads `--complexity_threshold`"
+                },
+                "shortread_complexityfilter_prinseqplusplus_mode": {
+                    "type": "string",
+                    "default": "entropy",
+                    "enum": [
+                        "entropy",
+                        "dust"
+                    ],
+                    "fa_icon": "fas fa-check-square",
+                    "description": "Specify the complexity filter mode for PRINSEQ++"
+                },
+                "shortread_complexityfilter_prinseqplusplus_dustscore": {
+                    "type": "number",
+                    "default": 0.5,
+                    "fa_icon": "fas fa-head-side-mask",
+                    "description": "Specify the minimum dust score for PRINTSEQ++ complexity filtering",
+                    "help_text": "Specify the minimum dust score below which low-complexity reads will be removed. A DUST score is based on how often different tri-nucleotides occur along a read.\n\n> Modifies tool parameter(s):\n> - PRINSEQ++: `--lc_dust`"
+                },
+                "save_complexityfiltered_reads": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Save complexity filtered short-reads",
+                    "help_text": "Specify whether to save the final complexity filtered reads in your results directory (`--outdir`)."
+                }
+            },
+            "fa_icon": "fas fa-compress-alt"
+        },
+        "preprocessing_long_read_qc_options": {
+            "title": "Preprocessing long-read QC options",
+            "type": "object",
+            "description": "Options for adapter clipping, quality trimming, and length filtering",
+            "default": "",
+            "properties": {
+                "perform_longread_qc": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turns on long read quality control steps (adapter clipping, length filtering etc.)",
+                    "help_text": "Turns on long read quality control steps (adapter clipping, length and/or quality filtering.)\n\nRemoving adapters (if present) is recommend to reduce false-postive hits that may occur from 'dirty' or 'contaminated' reference genomes in a profiling database that contain accidentially incorporated adapter sequences.\n\nLength filtering, and quality filtering can speed up alignment by reducing the number of unspecific reads that need to be aligned."
+                },
+                "longread_qc_skipadaptertrim": {
+                    "type": "boolean",
+                    "description": "Skip long-read trimming",
+                    "fa_icon": "fas fa-forward",
+                    "help_text": "Skip removal of adapters by Porechop. This can be useful in some cases to speed up run time - particularly when you are running data downloading from public databases such as the ENA/SRA that should already have adapters removed. We recommend that you check your FastQC results this is indeed the case."
+                },
+                "longread_qc_skipqualityfilter": {
+                    "type": "boolean",
+                    "description": "Skip long-read length and quality filtering",
+                    "fa_icon": "fas fa-forward",
+                    "help_text": "Skip removal of quality filtering with Filtlong. This will skip length, percent reads, and target bases filtering (see other `--longread_qc_qualityfilter_*` parameters)."
+                },
+                "longread_qc_qualityfilter_minlength": {
+                    "type": "integer",
+                    "default": 1000,
+                    "description": "Specify the minimum length of reads to be retained",
+                    "fa_icon": "fas fa-ruler-horizontal",
+                    "help_text": "Specify the minimum of length of reads to be kept for downstream analysis.\n\n> Modifies tool parameter(s):\n> - Filtlong: `--min_length`"
+                },
+                "longread_qc_qualityfilter_keeppercent": {
+                    "type": "integer",
+                    "default": 90,
+                    "description": "Specify the percent of high-quality bases to be retained",
+                    "fa_icon": "fas fa-percentage",
+                    "help_text": "Throw out the remaining percentage of reads outside the value. This is measured by bp, not by read count. So this option throws out the worst e.g. 10% of read bases if the parameter is set to `90`.  _Modified from [Filtlong documentation](https://github.com/rrwick/Filtlong)_\n\n> Modifies tool parameter(s):\n> - Filtlong: `--keep_percent`"
+                },
+                "longread_qc_qualityfilter_targetbases": {
+                    "type": "integer",
+                    "default": 500000000,
+                    "description": "Specify the number of high-quality bases in the library to be retained",
+                    "fa_icon": "fas fa-bullseye",
+                    "help_text": "Removes the worst reads until only the specified value of bases remain, useful for very large read sets. If the input read set is less than the specified value, this setting will have no effect. _Modified from [Filtlong documentation](https://github.com/rrwick/Filtlong)_\n\n> Modifies tool parameter(s):\n> - Filtlong: `--keep_percent`"
+                }
+            },
+            "fa_icon": "fas fa-expand-alt"
+        },
+        "preprocessing_host_removal_options": {
+            "title": "Preprocessing host removal options",
+            "type": "object",
+            "description": "Options for pre-profiling host read removal",
+            "default": "",
+            "properties": {
+                "perform_shortread_hostremoval": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on short-read host removal",
+                    "help_text": "Turns on the ability to remove short-reads from the that derived from a known organism, using Bowtie2 and samtools\n\nThis subworkflow is useful to remove reads that may come from a host, or a known contamination like the human reference genome. Human DNA contamination of (microbial) reference genomes is well known, so removal of these prior profiling both reduces the risks of false positives, and in _some cases_ a faster runtime (as less reads need to be profiled).\n\nAlternatively, you can include the reference genome within your profiling databases and can turn off this subworkflow, with the trade off of a larger taxonomic profiling database."
+                },
+                "perform_longread_hostremoval": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on long-read host removal",
+                    "help_text": "Turns on the ability to remove long-reads from the that derived from a known organism, using minimap2 and samtools\n\nThis subworkflow is useful to remove reads that may come from a host, or a known contamination like the human reference genome. Human DNA contamination of (microbial) reference genomes is well known, so removal of these prior profiling both reduces the risks of false positives, and in _some cases_ a faster runtime (as less reads need to be profiled).\n\nAlternatively, you can include the reference genome within your profiling databases and can turn off this subworkflow, with the trade off of a larger taxonomic profiling database."
+                },
+                "hostremoval_reference": {
+                    "type": "string",
+                    "default": "None",
+                    "fa_icon": "fas fa-file-alt",
+                    "description": "Specify path to single reference FASTA of host(s) genome(s)",
+                    "help_text": "Specify a path to the FASTA file (optionally gzipped) of the reference genome of the organism to be removed.\n\nIf you have two or more host organisms or contaminants you wish to remove, you can concatenate the FASTAs of the different taxa into a single one to provide to the pipeline."
+                },
+                "shortread_hostremoval_index": {
+                    "type": "string",
+                    "default": "None",
+                    "fa_icon": "fas fa-address-book",
+                    "description": "Specify path to the directory containing pre-made BowTie2 indexes of the host removal reference",
+                    "help_text": "Specify the path to a _directory_ containing pre-made Bowtie2 reference index files (i.e. the directory containing `.bt1`, `.bt2` files etc.). These should sit in the same directory alongside the the reference file specified in `--hostremoval_reference`.\n\nSpecifying premade indices can speed up runtime of the host-removal step, however if not supplied the pipeline will generate the indices for you."
+                },
+                "longread_hostremoval_index": {
+                    "type": "string",
+                    "default": "None",
+                    "fa_icon": "fas fa-address-book",
+                    "description": "Specify path to a pre-made Minimap2 index file (.mmi) of the host removal reference",
+                    "help_text": "Specify path to a pre-made Minimap2 index file (.mmi) of the host removal reference file given to `--hostremoval_reference`.\n\nSpecifying a premade index file can speed up runtime of the host-removal step, however if not supplied the pipeline will generate the indices for you."
+                },
+                "save_hostremoval_index": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Save mapping index of input reference when not already supplied by user",
+                    "help_text": "Save the output files of the in-built indexing of the host genome.\n\nThis is recommend to be turned on if you plan to use the same reference genome multiple times, as supplying the directory or file to `--shortread_hostremoval_index` or `--longread_hostremoval_index` respectively can speed up runtime of future runs. Once generated, we recommend you place this file _outside_ of your run results directory in a central 'cache' directory you and others using your machine can access and supply to the pipeline."
+                },
+                "save_hostremoval_mapped": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Save mapped reads in BAM format from host removal",
+                    "help_text": "Save the reads mapped to the reference genome in BAM format as output by the respective hostremoval alignment tool.\n\nThis can be useful if you wish to perform other analyses on the host organism (such as host-microbe interaction), however, you should consider whether the default mapping parameters of Bowtie2 (short-read) or minimap2 (long-read) are optimised to your context. "
+                },
+                "save_hostremoval_unmapped": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Save unmapped reads in FASTQ format from host removal",
+                    "help_text": "Save the unreads mapped to the reference genome in FASTQ format (as exported from `samtools view`).\n\nThis can be useful if you wish to perform other analyses on the off-target reads from the host mapping, such as manual profiling or _de novo_ assembly."
+                }
+            },
+            "fa_icon": "fas fa-user-times"
+        },
+        "preprocessing_run_merging_options": {
+            "title": "Preprocessing run merging options",
+            "type": "object",
+            "description": "Options for per-sample run-merging",
+            "default": "",
+            "properties": {
+                "perform_runmerging": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on run merging",
+                    "help_text": "Turns on the concatenation of sequencing runs or libraries with the same sample name.\n\nThis can be useful to ensure you get a single profile per sample, rather than one profile per run or library. Note that in some cases comparing profiles of independent _libraries_ may be useful, so this parameter may not always be suitable.  "
+                },
+                "save_runmerged_reads": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Save run-concatenated input FASTQ files for each sample",
+                    "help_text": "Save the run- and library-concatenated reads of a given sample in FASTQ format."
+                }
+            },
+            "fa_icon": "fas fa-clipboard-check"
+        },
+        "profiling_options": {
+            "title": "Profiling options",
+            "type": "object",
+            "description": "",
+            "default": "",
+            "properties": {
+                "run_centrifuge": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on profiling with Centrifuge. Requires database to be present CSV file passed to --databases"
+                },
+                "centrifuge_save_reads": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Turn on saving of Centrifuge-aligned reads",
+                    "help_text": "Save mapped (SAM, FASTQ) and unmapped (FASTQ) reads from alignment step of centrifuge in your output results directory.\n\n> Modifies tool parameter(s):\n> - centrifuge: `--un-gz`, `--al-gz`, `--un-conc-gz`, `--al-conc-gz`, `--out-fmt`"
+                },
+                "run_diamond": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on profiling with DIAMOND. Requires database to be present CSV file passed to --databases"
+                },
+                "diamond_output_format": {
+                    "type": "string",
+                    "default": "tsv",
+                    "enum": [
+                        "blast",
+                        "xml",
+                        "txt",
+                        "daa",
+                        "sam",
+                        "tsv",
+                        "paf"
+                    ],
+                    "fa_icon": "fas fa-file",
+                    "description": "Specify output format from DIAMOND profiling.",
+                    "help_text": "DIAMOND can produce output in a number of different formats, you can specify here which to produce.\n\nNote that DIAMOND can only produce one format at a time, and depending on which you pick, some downstream steps may not be executed. For example, selecting `daa` or `sam` will mean you will not get a tabular taxonomic profile as with the other tools.\n\nWill be overriden by `--diamond_save_reads.`\n\n> Modifies tool parameter(s):\n> - diamond blastx: `--outfmt`"
+                },
+                "diamond_save_reads": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Turn on saving of DIAMOND-aligned reads. Will override --diamond_output_format and no taxon tables will be generated",
+                    "help_text": "Save aligned reads in SAM format from alignment step of DIAMOND in your output results directory.\n\nNote this explicitly overrides `--diamond_output_format` to produce the SAM file, and no taxon table will be generated.\n\n> Modifies tool parameter(s):\n> - DIAMOND: `--outfmt`"
+                },
+                "run_kaiju": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on profiling with Kaiju. Requires database to be present CSV file passed to --databases"
+                },
+                "kaiju_taxon_rank": {
+                    "type": "string",
+                    "default": "species",
+                    "enum": [
+                        "phylum",
+                        "class",
+                        "order",
+                        "family",
+                        "genus",
+                        "species"
+                    ],
+                    "fa_icon": "fas fa-tag",
+                    "description": "Specify taxonomic rank to be displayed in Kaiju taxon table",
+                    "help_text": "Specify the taxonomic level(s) to be displayed in the resulting Kaiju taxon table, as generated by the kaiju2table helper tool.\n\nThis can be either a single level (e.g. `species`), or a comma separated list to display the full taxonomic path (e.g. `superkingdom,phylum,class,order,family,genus,species.`).\n\n> Modifies tool parameter(s):\n> - kaiju2table: `-l`"
+                },
+                "run_kraken2": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on profiling with Kraken2. Requires database to be present CSV file passed to --databases"
+                },
+                "kraken2_save_reads": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Turn on saving of Kraken2-aligned reads",
+                    "help_text": "Save reads that do and do not have a taxonomic classification in your output results directory in FASTQ format.\n\n> Modifies tool parameter(s):\n> - kraken2: `--classified-out` and `--unclassified-out`"
+                },
+                "kraken2_save_readclassification": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Turn on saving of Kraken2 per-read taxonomic assignment file",
+                    "help_text": "Save a text file that contains a list of each read that had a taxonomic assignment, with information on specific taxonomic taxonomic assignment that that read recieved.\n\n> Modifies tool parameter(s):\n> - kraken2: `--output`"
+                },
+                "kraken2_save_minimizers": {
+                    "type": "boolean",
+                    "description": "Turn on saving minimizer information in the kraken2 report thus increasing to an eight column layout.",
+                    "fa_icon": "fas fa-save",
+                    "help_text": "Turn on saving minimizer information in the kraken2 report thus increasing to an eight column layout.\n\nAdds `--report-minimizer-data` to the kraken2 command."
+                },
+                "run_bracken": {
+                    "type": "boolean",
+                    "description": "Post-process kraken2 reports with Bracken.",
+                    "fa_icon": "fas fa-toggle-on"
+                },
+                "run_malt": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on profiling with MALT. Requires database to be present CSV file passed to --databases"
+                },
+                "malt_mode": {
+                    "type": "string",
+                    "default": "BlastN",
+                    "fa_icon": "fas fa-check-square",
+                    "description": "Specify which MALT alignment mode to use",
+                    "help_text": "Specify which version of MALT alignment to use.\n\nBlastN is generally recommended (nucleotide-nucleotide alignment), but particularly for very short reads (such as aDNA), whereas BlastX mode is similar to DIAMOND and will translate the nucleotide to amino acid sequences. Note each type of alignment mode requires different parameters during database construction. Refer to the MALT manual for more information.\n\n> Modifies tool parameter(s):\n> - malt-run: `-mode` "
+                },
+                "malt_save_reads": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Turn on saving of MALT-aligned reads",
+                    "help_text": "Turns on saving of MALT aligned reads in SAM format.\n\nNote that the SAM format produce by MALT is not completely valid, and may not work with downstream tools.\n\n> Modifies tool parameter(s):\n> - malt-run: `--alignments`, `-za`"
+                },
+                "malt_generate_megansummary": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Turn on generation of MEGAN summary file from MALT results",
+                    "help_text": "Turns on saving of MALT output in an additional MEGAN summary file (`.megan`) that can be loaded into the MEGAN metagenomic exploration tool.\n\nNote: this file is generated not directly from MALT but rather then MEGAN utility script `rma2info`.\n\n> Modifies tool parameter(s):\n> - rma2info: `-es`"
+                },
+                "run_metaphlan3": {
+                    "type": "boolean",
+                    "description": "Turn on profiling with MetaPhlAn3. Requires database to be present CSV file passed to --databases",
+                    "fa_icon": "fas fa-toggle-on"
+                },
+                "run_motus": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on profiling with mOTUs. Requires database to be present CSV file passed to --databases"
+                },
+                "save_mgc_counts": {
+                    "type": "boolean",
+                    "description": "Save the mgc reads count for mOTUs."
+                },
+                "save_read_counts": {
+                    "type": "boolean",
+                    "description": "Print mOTUs result as counts instead of relative abundances."
+                },
+                "save_ncbi_id": {
+                    "type": "boolean",
+                    "description": "Print NCBI taxonomic id for mOTUs."
+                }
+            },
+            "fa_icon": "fas fa-align-center"
+        },
+        "postprocessing_and_visualisation_options": {
+            "title": "Postprocessing and visualisation options",
+            "type": "object",
+            "description": "",
+            "default": "",
+            "properties": {
+                "run_profile_standardisation": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on standardisation of taxon tables across profilers",
+                    "help_text": "Turns on standardisation of output OTU tables across all tools; each into a TSV format following the following scheme:\n\n|TAXON   | SAMPLE_A | SAMPLE_B |\n|-------------|----------------|-----------------|\n| taxon_a | 32               | 123             |\n| taxon_b | 1                 | 5                 |\n\nThis currently only is generated for mOTUs."
+                },
+                "generate_biom_output": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on generation of BIOM output (currently only applies to mOTUs)",
+                    "help_text": "Turn on the saving of the taxonomic output in BIOM format (`.biom`) in the results directory of your pipeline run, instead of the default TSV format.\n\nNote this file is from the output of the `motus merge` command.\n\n> Modifies tool parameter(s):\n> - `-B -o`"
+                },
+                "run_krona": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-toggle-on",
+                    "description": "Turn on generation of Krona plots for supported profilers",
+                    "help_text": "Turn on the generation of Krona interactive pie-chart HTMLs for a selection of profilers.\n\nThe tools currently supported are:\n\n- centrifuge\n- kraken2\n- kaiju\n- MALT"
+                },
+                "krona_taxonomy_directory": {
+                    "type": "string",
+                    "default": "None",
+                    "fa_icon": "fas fa-folder-open",
+                    "description": "Specify path to krona taxonomy directories (required for MALT krona plots)",
+                    "help_text": "Specify a path to a Krona taxonomy database directory (i.e. a directory containing a krona generated `.tab` file).\n\nThis is only required for generating Krona plots of MALT output.\n\nNote this taxonomy database must be downloaded and generated with the `updateTaxonomy.sh` script from the krona-tools package."
+                }
+            },
+            "fa_icon": "fas fa-chart-line"
+        },
+        "institutional_config_options": {
+            "title": "Institutional config options",
+            "type": "object",
+            "fa_icon": "fas fa-university",
+            "description": "Parameters used to describe centralised config profiles. These should not be edited.",
+            "help_text": "The centralised nf-core configuration profiles use a handful of pipeline parameters to describe themselves. This information is then printed to the Nextflow log when you run a pipeline. You should not need to change these values when you run a pipeline.",
+            "properties": {
+                "custom_config_version": {
+                    "type": "string",
+                    "description": "Git commit id for Institutional configs.",
+                    "default": "master",
+                    "hidden": true,
+                    "fa_icon": "fas fa-users-cog"
+                },
+                "custom_config_base": {
+                    "type": "string",
+                    "description": "Base directory for Institutional configs.",
+                    "default": "https://raw.githubusercontent.com/nf-core/configs/master",
+                    "hidden": true,
+                    "help_text": "If you're running offline, Nextflow will not be able to fetch the institutional config files from the internet. If you don't need them, then this is not a problem. If you do need them, you should download the files from the repo and tell Nextflow where to find them with this parameter.",
+                    "fa_icon": "fas fa-users-cog"
+                },
+                "config_profile_name": {
+                    "type": "string",
+                    "description": "Institutional config name.",
+                    "hidden": true,
+                    "fa_icon": "fas fa-users-cog"
+                },
+                "config_profile_description": {
+                    "type": "string",
+                    "description": "Institutional config description.",
+                    "hidden": true,
+                    "fa_icon": "fas fa-users-cog"
+                },
+                "config_profile_contact": {
+                    "type": "string",
+                    "description": "Institutional config contact information.",
+                    "hidden": true,
+                    "fa_icon": "fas fa-users-cog"
+                },
+                "config_profile_url": {
+                    "type": "string",
+                    "description": "Institutional config URL link.",
+                    "hidden": true,
+                    "fa_icon": "fas fa-users-cog"
+                }
+            }
+        },
+        "max_job_request_options": {
+            "title": "Max job request options",
+            "type": "object",
+            "fa_icon": "fab fa-acquisitions-incorporated",
+            "description": "Set the top limit for requested resources for any single job.",
+            "help_text": "If you are running on a smaller system, a pipeline step requesting more resources than are available may cause the Nextflow to stop the run with an error. These options allow you to cap the maximum resources requested by any single job so that the pipeline will run on your system.\n\nNote that you can not _increase_ the resources requested by any job using these options. For that you will need your own configuration file. See [the nf-core website](https://nf-co.re/usage/configuration) for details.",
+            "properties": {
+                "max_cpus": {
+                    "type": "integer",
+                    "description": "Maximum number of CPUs that can be requested for any single job.",
+                    "default": 16,
+                    "fa_icon": "fas fa-microchip",
+                    "hidden": true,
+                    "help_text": "Use to set an upper-limit for the CPU requirement for each process. Should be an integer e.g. `--max_cpus 1`"
+                },
+                "max_memory": {
+                    "type": "string",
+                    "description": "Maximum amount of memory that can be requested for any single job.",
+                    "default": "128.GB",
+                    "fa_icon": "fas fa-memory",
+                    "pattern": "^\\d+(\\.\\d+)?\\.?\\s*(K|M|G|T)?B$",
+                    "hidden": true,
+                    "help_text": "Use to set an upper-limit for the memory requirement for each process. Should be a string in the format integer-unit e.g. `--max_memory '8.GB'`"
+                },
+                "max_time": {
+                    "type": "string",
+                    "description": "Maximum amount of time that can be requested for any single job.",
+                    "default": "240.h",
+                    "fa_icon": "far fa-clock",
+                    "pattern": "^(\\d+\\.?\\s*(s|m|h|day)\\s*)+$",
+                    "hidden": true,
+                    "help_text": "Use to set an upper-limit for the time requirement for each process. Should be a string in the format integer-unit e.g. `--max_time '2.h'`"
+                }
+            }
+        },
+        "generic_options": {
+            "title": "Generic options",
+            "type": "object",
+            "fa_icon": "fas fa-file-import",
+            "description": "Less common options for the pipeline, typically set in a config file.",
+            "help_text": "These options are common to all nf-core pipelines and allow you to customise some of the core preferences for how the pipeline runs.\n\nTypically these options would be set in a Nextflow config file loaded for all pipeline runs, such as `~/.nextflow/config`.",
+            "properties": {
+                "help": {
+                    "type": "boolean",
+                    "description": "Display help text.",
+                    "fa_icon": "fas fa-question-circle",
+                    "hidden": true
+                },
+                "publish_dir_mode": {
+                    "type": "string",
+                    "default": "copy",
+                    "description": "Method used to save pipeline results to output directory.",
+                    "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
+                    "fa_icon": "fas fa-copy",
+                    "enum": [
+                        "symlink",
+                        "rellink",
+                        "link",
+                        "copy",
+                        "copyNoFollow",
+                        "move"
+                    ],
+                    "hidden": true
+                },
+                "email_on_fail": {
+                    "type": "string",
+                    "description": "Email address for completion summary, only when pipeline fails.",
+                    "fa_icon": "fas fa-exclamation-triangle",
+                    "pattern": "^([a-zA-Z0-9_\\-\\.]+)@([a-zA-Z0-9_\\-\\.]+)\\.([a-zA-Z]{2,5})$",
+                    "help_text": "An email address to send a summary email to when the pipeline is completed - ONLY sent if the pipeline does not exit successfully.",
+                    "hidden": true
+                },
+                "plaintext_email": {
+                    "type": "boolean",
+                    "description": "Send plain-text email instead of HTML.",
+                    "fa_icon": "fas fa-remove-format",
+                    "hidden": true
+                },
+                "max_multiqc_email_size": {
+                    "type": "string",
+                    "description": "File size limit when attaching MultiQC reports to summary emails.",
+                    "pattern": "^\\d+(\\.\\d+)?\\.?\\s*(K|M|G|T)?B$",
+                    "default": "25.MB",
+                    "fa_icon": "fas fa-file-upload",
+                    "hidden": true
+                },
+                "preprocessing_qc_tool": {
+                    "type": "string",
+                    "default": "fastqc",
+                    "enum": [
+                        "fastqc",
+                        "falco"
+                    ],
+                    "help_text": "Falco is designed as a drop-in replacement for FastQC but written in C++ for faster computation. We particularly recommend using falco when using long reads (due to reduced memory constraints), however is also applicable for short reads.",
+                    "description": "Specify the tool used for quality control of raw sequencing reads"
+                },
+                "monochrome_logs": {
+                    "type": "boolean",
+                    "description": "Do not use coloured log outputs.",
+                    "fa_icon": "fas fa-palette",
+                    "hidden": true
+                },
+                "hook_url": {
+                    "type": "string",
+                    "description": "Incoming hook URL for messaging service",
+                    "fa_icon": "fas fa-people-group",
+                    "help_text": "Incoming hook URL for messaging service. Currently, only MS Teams is supported.",
+                    "hidden": true
+                },
+                "multiqc_config": {
+                    "type": "string",
+                    "description": "Custom config file to supply to MultiQC.",
+                    "fa_icon": "fas fa-cog",
+                    "hidden": true
+                },
+                "multiqc_logo": {
+                    "type": "string",
+                    "description": "Custom logo file to supply to MultiQC. File name must also be set in the MultiQC config file",
+                    "fa_icon": "fas fa-image",
+                    "hidden": true
+                },
+                "multiqc_methods_description": {
+                    "type": "string",
+                    "description": "Custom MultiQC yaml file containing HTML including a methods description.",
+                    "fa_icon": "fas fa-cog"
+                },
+                "tracedir": {
+                    "type": "string",
+                    "description": "Directory to keep pipeline Nextflow logs and reports.",
+                    "default": "${params.outdir}/pipeline_info",
+                    "fa_icon": "fas fa-cogs",
+                    "hidden": true
+                },
+                "validate_params": {
+                    "type": "boolean",
+                    "description": "Boolean whether to validate parameters against the schema at runtime",
+                    "default": true,
+                    "fa_icon": "fas fa-check-square",
+                    "hidden": true
+                },
+                "show_hidden_params": {
+                    "type": "boolean",
+                    "fa_icon": "far fa-eye-slash",
+                    "description": "Show all params when using `--help`",
+                    "hidden": true,
+                    "help_text": "By default, parameters set as _hidden_ in the schema are not shown on the command line when a user runs with `--help`. Specifying this option will tell the pipeline to show all parameters."
+                },
+                "enable_conda": {
+                    "type": "boolean",
+                    "description": "Run this workflow with Conda. You can also use '-profile conda' instead of providing this parameter.",
+                    "hidden": true,
+                    "fa_icon": "fas fa-bacon"
+                }
+            }
+        },
+        "reference_genome_options": {
+            "title": "Reference genome options",
+            "type": "object",
+            "fa_icon": "fas fa-dna",
+            "description": "Reference genome related files and options required for the workflow.",
+            "properties": {
+                "genome": {
+                    "type": "string",
+                    "description": "Name of iGenomes reference.",
+                    "fa_icon": "fas fa-book",
+                    "help_text": "If using a reference genome configured in the pipeline using iGenomes, use this parameter to give the ID for the reference. This is then used to build the full paths for all required reference genome files e.g. `--genome GRCh38`. \n\nSee the [nf-core website docs](https://nf-co.re/usage/reference_genomes) for more details.",
+                    "hidden": true
+                },
+                "igenomes_base": {
+                    "type": "string",
+                    "format": "directory-path",
+                    "description": "Directory / URL base for iGenomes references.",
+                    "default": "s3://ngi-igenomes/igenomes",
+                    "fa_icon": "fas fa-cloud-download-alt",
+                    "hidden": true
+                },
+                "igenomes_ignore": {
+                    "type": "boolean",
+                    "description": "Do not load the iGenomes reference config.",
+                    "fa_icon": "fas fa-ban",
+                    "hidden": true,
+                    "help_text": "Do not load `igenomes.config` when running the pipeline. You may choose this option if you observe clashes between custom parameters and those supplied in `igenomes.config`."
+                }
+            }
         }
-      },
-      "fa_icon": "fas fa-compress-alt"
     },
-    "preprocessing_long_read_qc_options": {
-      "title": "Preprocessing long-read QC options",
-      "type": "object",
-      "description": "Options for adapter clipping, quality trimming, and length filtering",
-      "default": "",
-      "properties": {
-        "perform_longread_qc": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turns on long read quality control steps (adapter clipping, length filtering etc.)",
-          "help_text": "Turns on long read quality control steps (adapter clipping, length and/or quality filtering.)\n\nRemoving adapters (if present) is recommend to reduce false-postive hits that may occur from 'dirty' or 'contaminated' reference genomes in a profiling database that contain accidentially incorporated adapter sequences.\n\nLength filtering, and quality filtering can speed up alignment by reducing the number of unspecific reads that need to be aligned."
-        },
-        "longread_qc_skipadaptertrim": {
-          "type": "boolean",
-          "description": "Skip long-read trimming",
-          "fa_icon": "fas fa-forward",
-          "help_text": "Skip removal of adapters by Porechop. This can be useful in some cases to speed up run time - particularly when you are running data downloading from public databases such as the ENA/SRA that should already have adapters removed. We recommend that you check your FastQC results this is indeed the case."
-        },
-        "longread_qc_skipqualityfilter": {
-          "type": "boolean",
-          "description": "Skip long-read length and quality filtering",
-          "fa_icon": "fas fa-forward",
-          "help_text": "Skip removal of quality filtering with Filtlong. This will skip length, percent reads, and target bases filtering (see other `--longread_qc_qualityfilter_*` parameters)."
-        },
-        "longread_qc_qualityfilter_minlength": {
-          "type": "integer",
-          "default": 1000,
-          "description": "Specify the minimum length of reads to be retained",
-          "fa_icon": "fas fa-ruler-horizontal",
-          "help_text": "Specify the minimum of length of reads to be kept for downstream analysis.\n\n> Modifies tool parameter(s):\n> - Filtlong: `--min_length`"
-        },
-        "longread_qc_qualityfilter_keeppercent": {
-          "type": "integer",
-          "default": 90,
-          "description": "Specify the percent of high-quality bases to be retained",
-          "fa_icon": "fas fa-percentage",
-          "help_text": "Throw out the remaining percentage of reads outside the value. This is measured by bp, not by read count. So this option throws out the worst e.g. 10% of read bases if the parameter is set to `90`.  _Modified from [Filtlong documentation](https://github.com/rrwick/Filtlong)_\n\n> Modifies tool parameter(s):\n> - Filtlong: `--keep_percent`"
-        },
-        "longread_qc_qualityfilter_targetbases": {
-          "type": "integer",
-          "default": 500000000,
-          "description": "Specify the number of high-quality bases in the library to be retained",
-          "fa_icon": "fas fa-bullseye",
-          "help_text": "Removes the worst reads until only the specified value of bases remain, useful for very large read sets. If the input read set is less than the specified value, this setting will have no effect. _Modified from [Filtlong documentation](https://github.com/rrwick/Filtlong)_\n\n> Modifies tool parameter(s):\n> - Filtlong: `--keep_percent`"
-        }
-      },
-      "fa_icon": "fas fa-expand-alt"
-    },
-    "preprocessing_host_removal_options": {
-      "title": "Preprocessing host removal options",
-      "type": "object",
-      "description": "Options for pre-profiling host read removal",
-      "default": "",
-      "properties": {
-        "perform_shortread_hostremoval": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turn on short-read host removal",
-          "help_text": "Turns on the ability to remove short-reads from the that derived from a known organism, using Bowtie2 and samtools\n\nThis subworkflow is useful to remove reads that may come from a host, or a known contamination like the human reference genome. Human DNA contamination of (microbial) reference genomes is well known, so removal of these prior profiling both reduces the risks of false positives, and in _some cases_ a faster runtime (as less reads need to be profiled).\n\nAlternatively, you can include the reference genome within your profiling databases and can turn off this subworkflow, with the trade off of a larger taxonomic profiling database."
-        },
-        "perform_longread_hostremoval": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turn on long-read host removal",
-          "help_text": "Turns on the ability to remove long-reads from the that derived from a known organism, using minimap2 and samtools\n\nThis subworkflow is useful to remove reads that may come from a host, or a known contamination like the human reference genome. Human DNA contamination of (microbial) reference genomes is well known, so removal of these prior profiling both reduces the risks of false positives, and in _some cases_ a faster runtime (as less reads need to be profiled).\n\nAlternatively, you can include the reference genome within your profiling databases and can turn off this subworkflow, with the trade off of a larger taxonomic profiling database."
-        },
-        "hostremoval_reference": {
-          "type": "string",
-          "default": "None",
-          "fa_icon": "fas fa-file-alt",
-          "description": "Specify path to single reference FASTA of host(s) genome(s)",
-          "help_text": "Specify a path to the FASTA file (optionally gzipped) of the reference genome of the organism to be removed.\n\nIf you have two or more host organisms or contaminants you wish to remove, you can concatenate the FASTAs of the different taxa into a single one to provide to the pipeline."
-        },
-        "shortread_hostremoval_index": {
-          "type": "string",
-          "default": "None",
-          "fa_icon": "fas fa-address-book",
-          "description": "Specify path to the directory containing pre-made BowTie2 indexes of the host removal reference",
-          "help_text": "Specify the path to a _directory_ containing pre-made Bowtie2 reference index files (i.e. the directory containing `.bt1`, `.bt2` files etc.). These should sit in the same directory alongside the the reference file specified in `--hostremoval_reference`.\n\nSpecifying premade indices can speed up runtime of the host-removal step, however if not supplied the pipeline will generate the indices for you."
-        },
-        "longread_hostremoval_index": {
-          "type": "string",
-          "default": "None",
-          "fa_icon": "fas fa-address-book",
-          "description": "Specify path to a pre-made Minimap2 index file (.mmi) of the host removal reference",
-          "help_text": "Specify path to a pre-made Minimap2 index file (.mmi) of the host removal reference file given to `--hostremoval_reference`.\n\nSpecifying a premade index file can speed up runtime of the host-removal step, however if not supplied the pipeline will generate the indices for you."
-        },
-        "save_hostremoval_index": {
-          "type": "boolean",
-          "fa_icon": "fas fa-save",
-          "description": "Save mapping index of input reference when not already supplied by user",
-          "help_text": "Save the output files of the in-built indexing of the host genome.\n\nThis is recommend to be turned on if you plan to use the same reference genome multiple times, as supplying the directory or file to `--shortread_hostremoval_index` or `--longread_hostremoval_index` respectively can speed up runtime of future runs. Once generated, we recommend you place this file _outside_ of your run results directory in a central 'cache' directory you and others using your machine can access and supply to the pipeline."
-        },
-        "save_hostremoval_mapped": {
-          "type": "boolean",
-          "fa_icon": "fas fa-save",
-          "description": "Save mapped reads in BAM format from host removal",
-          "help_text": "Save the reads mapped to the reference genome in BAM format as output by the respective hostremoval alignment tool.\n\nThis can be useful if you wish to perform other analyses on the host organism (such as host-microbe interaction), however, you should consider whether the default mapping parameters of Bowtie2 (short-read) or minimap2 (long-read) are optimised to your context. "
-        },
-        "save_hostremoval_unmapped": {
-          "type": "boolean",
-          "fa_icon": "fas fa-save",
-          "description": "Save unmapped reads in FASTQ format from host removal",
-          "help_text": "Save the unreads mapped to the reference genome in FASTQ format (as exported from `samtools view`).\n\nThis can be useful if you wish to perform other analyses on the off-target reads from the host mapping, such as manual profiling or _de novo_ assembly."
-        }
-      },
-      "fa_icon": "fas fa-user-times"
-    },
-    "preprocessing_run_merging_options": {
-      "title": "Preprocessing run merging options",
-      "type": "object",
-      "description": "Options for per-sample run-merging",
-      "default": "",
-      "properties": {
-        "perform_runmerging": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turn on run merging",
-          "help_text": "Turns on the concatenation of sequencing runs or libraries with the same sample name.\n\nThis can be useful to ensure you get a single profile per sample, rather than one profile per run or library. Note that in some cases comparing profiles of independent _libraries_ may be useful, so this parameter may not always be suitable.  "
-        },
-        "save_runmerged_reads": {
-          "type": "boolean",
-          "fa_icon": "fas fa-save",
-          "description": "Save run-concatenated input FASTQ files for each sample",
-          "help_text": "Save the run- and library-concatenated reads of a given sample in FASTQ format."
-        }
-      },
-      "fa_icon": "fas fa-clipboard-check"
-    },
-    "profiling_options": {
-      "title": "Profiling options",
-      "type": "object",
-      "description": "",
-      "default": "",
-      "properties": {
-        "run_centrifuge": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turn on profiling with Centrifuge. Requires database to be present CSV file passed to --databases"
-        },
-        "centrifuge_save_reads": {
-          "type": "boolean",
-          "fa_icon": "fas fa-save",
-          "description": "Turn on saving of Centrifuge-aligned reads",
-          "help_text": "Save mapped (SAM, FASTQ) and unmapped (FASTQ) reads from alignment step of centrifuge in your output results directory.\n\n> Modifies tool parameter(s):\n> - centrifuge: `--un-gz`, `--al-gz`, `--un-conc-gz`, `--al-conc-gz`, `--out-fmt`"
-        },
-        "run_diamond": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turn on profiling with DIAMOND. Requires database to be present CSV file passed to --databases"
-        },
-        "diamond_output_format": {
-          "type": "string",
-          "default": "tsv",
-          "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"],
-          "fa_icon": "fas fa-file",
-          "description": "Specify output format from DIAMOND profiling.",
-          "help_text": "DIAMOND can produce output in a number of different formats, you can specify here which to produce.\n\nNote that DIAMOND can only produce one format at a time, and depending on which you pick, some downstream steps may not be executed. For example, selecting `daa` or `sam` will mean you will not get a tabular taxonomic profile as with the other tools.\n\nWill be overriden by `--diamond_save_reads.`\n\n> Modifies tool parameter(s):\n> - diamond blastx: `--outfmt`"
-        },
-        "diamond_save_reads": {
-          "type": "boolean",
-          "fa_icon": "fas fa-save",
-          "description": "Turn on saving of DIAMOND-aligned reads. Will override --diamond_output_format and no taxon tables will be generated",
-          "help_text": "Save aligned reads in SAM format from alignment step of DIAMOND in your output results directory.\n\nNote this explicitly overrides `--diamond_output_format` to produce the SAM file, and no taxon table will be generated.\n\n> Modifies tool parameter(s):\n> - DIAMOND: `--outfmt`"
-        },
-        "run_kaiju": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turn on profiling with Kaiju. Requires database to be present CSV file passed to --databases"
-        },
-        "kaiju_taxon_rank": {
-          "type": "string",
-          "default": "species",
-          "enum": ["phylum", "class", "order", "family", "genus", "species"],
-          "fa_icon": "fas fa-tag",
-          "description": "Specify taxonomic rank to be displayed in Kaiju taxon table",
-          "help_text": "Specify the taxonomic level(s) to be displayed in the resulting Kaiju taxon table, as generated by the kaiju2table helper tool.\n\nThis can be either a single level (e.g. `species`), or a comma separated list to display the full taxonomic path (e.g. `superkingdom,phylum,class,order,family,genus,species.`).\n\n> Modifies tool parameter(s):\n> - kaiju2table: `-l`"
+    "allOf": [
+        {
+            "$ref": "#/definitions/input_output_options"
         },
-        "run_kraken2": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turn on profiling with Kraken2. Requires database to be present CSV file passed to --databases"
+        {
+            "$ref": "#/definitions/preprocessing_general_qc_options"
         },
-        "kraken2_save_reads": {
-          "type": "boolean",
-          "fa_icon": "fas fa-save",
-          "description": "Turn on saving of Kraken2-aligned reads",
-          "help_text": "Save reads that do and do not have a taxonomic classification in your output results directory in FASTQ format.\n\n> Modifies tool parameter(s):\n> - kraken2: `--classified-out` and `--unclassified-out`"
+        {
+            "$ref": "#/definitions/preprocessing_short_read_qc_options"
         },
-        "kraken2_save_readclassification": {
-          "type": "boolean",
-          "fa_icon": "fas fa-save",
-          "description": "Turn on saving of Kraken2 per-read taxonomic assignment file",
-          "help_text": "Save a text file that contains a list of each read that had a taxonomic assignment, with information on specific taxonomic taxonomic assignment that that read recieved.\n\n> Modifies tool parameter(s):\n> - kraken2: `--output`"
+        {
+            "$ref": "#/definitions/preprocessing_long_read_qc_options"
         },
-        "kraken2_save_minimizers": {
-          "type": "boolean",
-          "description": "Turn on saving minimizer information in the kraken2 report thus increasing to an eight column layout.",
-          "fa_icon": "fas fa-save",
-          "help_text": "Turn on saving minimizer information in the kraken2 report thus increasing to an eight column layout.\n\nAdds `--report-minimizer-data` to the kraken2 command."
+        {
+            "$ref": "#/definitions/preprocessing_host_removal_options"
         },
-        "run_bracken": {
-          "type": "boolean",
-          "description": "Post-process kraken2 reports with Bracken.",
-          "fa_icon": "fas fa-toggle-on"
+        {
+            "$ref": "#/definitions/preprocessing_run_merging_options"
         },
-        "run_malt": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turn on profiling with MALT. Requires database to be present CSV file passed to --databases"
+        {
+            "$ref": "#/definitions/profiling_options"
         },
-        "malt_mode": {
-          "type": "string",
-          "default": "BlastN",
-          "fa_icon": "fas fa-check-square",
-          "description": "Specify which MALT alignment mode to use",
-          "help_text": "Specify which version of MALT alignment to use.\n\nBlastN is generally recommended (nucleotide-nucleotide alignment), but particularly for very short reads (such as aDNA), whereas BlastX mode is similar to DIAMOND and will translate the nucleotide to amino acid sequences. Note each type of alignment mode requires different parameters during database construction. Refer to the MALT manual for more information.\n\n> Modifies tool parameter(s):\n> - malt-run: `-mode` "
+        {
+            "$ref": "#/definitions/postprocessing_and_visualisation_options"
         },
-        "malt_save_reads": {
-          "type": "boolean",
-          "fa_icon": "fas fa-save",
-          "description": "Turn on saving of MALT-aligned reads",
-          "help_text": "Turns on saving of MALT aligned reads in SAM format.\n\nNote that the SAM format produce by MALT is not completely valid, and may not work with downstream tools.\n\n> Modifies tool parameter(s):\n> - malt-run: `--alignments`, `-za`"
+        {
+            "$ref": "#/definitions/institutional_config_options"
         },
-        "malt_generate_megansummary": {
-          "type": "boolean",
-          "fa_icon": "fas fa-save",
-          "description": "Turn on generation of MEGAN summary file from MALT results",
-          "help_text": "Turns on saving of MALT output in an additional MEGAN summary file (`.megan`) that can be loaded into the MEGAN metagenomic exploration tool.\n\nNote: this file is generated not directly from MALT but rather then MEGAN utility script `rma2info`.\n\n> Modifies tool parameter(s):\n> - rma2info: `-es`"
+        {
+            "$ref": "#/definitions/max_job_request_options"
         },
-        "run_metaphlan3": {
-          "type": "boolean",
-          "description": "Turn on profiling with MetaPhlAn3. Requires database to be present CSV file passed to --databases",
-          "fa_icon": "fas fa-toggle-on"
+        {
+            "$ref": "#/definitions/generic_options"
         },
-        "run_motus": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turn on profiling with mOTUs. Requires database to be present CSV file passed to --databases"
+        {
+            "$ref": "#/definitions/reference_genome_options"
         }
-      },
-      "fa_icon": "fas fa-align-center"
-    },
-    "postprocessing_and_visualisation_options": {
-      "title": "Postprocessing and visualisation options",
-      "type": "object",
-      "description": "",
-      "default": "",
-      "properties": {
-        "run_profile_standardisation": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turn on standardisation of taxon tables across profilers",
-          "help_text": "Turns on standardisation of output OTU tables across all tools; each into a TSV format following the following scheme:\n\n|TAXON   | SAMPLE_A | SAMPLE_B |\n|-------------|----------------|-----------------|\n| taxon_a | 32               | 123             |\n| taxon_b | 1                 | 5                 |\n\nThis currently only is generated for mOTUs."
-        },
-        "generate_biom_output": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turn on generation of BIOM output (currently only applies to mOTUs)",
-          "help_text": "Turn on the saving of the taxonomic output in BIOM format (`.biom`) in the results directory of your pipeline run, instead of the default TSV format.\n\nNote this file is from the output of the `motus merge` command.\n\n> Modifies tool parameter(s):\n> - `-B -o`"
-        },
-        "run_krona": {
-          "type": "boolean",
-          "fa_icon": "fas fa-toggle-on",
-          "description": "Turn on generation of Krona plots for supported profilers",
-          "help_text": "Turn on the generation of Krona interactive pie-chart HTMLs for a selection of profilers.\n\nThe tools currently supported are:\n\n- centrifuge\n- kraken2\n- kaiju\n- MALT"
-        },
-        "krona_taxonomy_directory": {
-          "type": "string",
-          "default": "None",
-          "fa_icon": "fas fa-folder-open",
-          "description": "Specify path to krona taxonomy directories (required for MALT krona plots)",
-          "help_text": "Specify a path to a Krona taxonomy database directory (i.e. a directory containing a krona generated `.tab` file).\n\nThis is only required for generating Krona plots of MALT output.\n\nNote this taxonomy database must be downloaded and generated with the `updateTaxonomy.sh` script from the krona-tools package."
-        }
-      },
-      "fa_icon": "fas fa-chart-line"
-    },
-    "institutional_config_options": {
-      "title": "Institutional config options",
-      "type": "object",
-      "fa_icon": "fas fa-university",
-      "description": "Parameters used to describe centralised config profiles. These should not be edited.",
-      "help_text": "The centralised nf-core configuration profiles use a handful of pipeline parameters to describe themselves. This information is then printed to the Nextflow log when you run a pipeline. You should not need to change these values when you run a pipeline.",
-      "properties": {
-        "custom_config_version": {
-          "type": "string",
-          "description": "Git commit id for Institutional configs.",
-          "default": "master",
-          "hidden": true,
-          "fa_icon": "fas fa-users-cog"
-        },
-        "custom_config_base": {
-          "type": "string",
-          "description": "Base directory for Institutional configs.",
-          "default": "https://raw.githubusercontent.com/nf-core/configs/master",
-          "hidden": true,
-          "help_text": "If you're running offline, Nextflow will not be able to fetch the institutional config files from the internet. If you don't need them, then this is not a problem. If you do need them, you should download the files from the repo and tell Nextflow where to find them with this parameter.",
-          "fa_icon": "fas fa-users-cog"
-        },
-        "config_profile_name": {
-          "type": "string",
-          "description": "Institutional config name.",
-          "hidden": true,
-          "fa_icon": "fas fa-users-cog"
-        },
-        "config_profile_description": {
-          "type": "string",
-          "description": "Institutional config description.",
-          "hidden": true,
-          "fa_icon": "fas fa-users-cog"
-        },
-        "config_profile_contact": {
-          "type": "string",
-          "description": "Institutional config contact information.",
-          "hidden": true,
-          "fa_icon": "fas fa-users-cog"
-        },
-        "config_profile_url": {
-          "type": "string",
-          "description": "Institutional config URL link.",
-          "hidden": true,
-          "fa_icon": "fas fa-users-cog"
-        }
-      }
-    },
-    "max_job_request_options": {
-      "title": "Max job request options",
-      "type": "object",
-      "fa_icon": "fab fa-acquisitions-incorporated",
-      "description": "Set the top limit for requested resources for any single job.",
-      "help_text": "If you are running on a smaller system, a pipeline step requesting more resources than are available may cause the Nextflow to stop the run with an error. These options allow you to cap the maximum resources requested by any single job so that the pipeline will run on your system.\n\nNote that you can not _increase_ the resources requested by any job using these options. For that you will need your own configuration file. See [the nf-core website](https://nf-co.re/usage/configuration) for details.",
-      "properties": {
-        "max_cpus": {
-          "type": "integer",
-          "description": "Maximum number of CPUs that can be requested for any single job.",
-          "default": 16,
-          "fa_icon": "fas fa-microchip",
-          "hidden": true,
-          "help_text": "Use to set an upper-limit for the CPU requirement for each process. Should be an integer e.g. `--max_cpus 1`"
-        },
-        "max_memory": {
-          "type": "string",
-          "description": "Maximum amount of memory that can be requested for any single job.",
-          "default": "128.GB",
-          "fa_icon": "fas fa-memory",
-          "pattern": "^\\d+(\\.\\d+)?\\.?\\s*(K|M|G|T)?B$",
-          "hidden": true,
-          "help_text": "Use to set an upper-limit for the memory requirement for each process. Should be a string in the format integer-unit e.g. `--max_memory '8.GB'`"
-        },
-        "max_time": {
-          "type": "string",
-          "description": "Maximum amount of time that can be requested for any single job.",
-          "default": "240.h",
-          "fa_icon": "far fa-clock",
-          "pattern": "^(\\d+\\.?\\s*(s|m|h|day)\\s*)+$",
-          "hidden": true,
-          "help_text": "Use to set an upper-limit for the time requirement for each process. Should be a string in the format integer-unit e.g. `--max_time '2.h'`"
-        }
-      }
-    },
-    "generic_options": {
-      "title": "Generic options",
-      "type": "object",
-      "fa_icon": "fas fa-file-import",
-      "description": "Less common options for the pipeline, typically set in a config file.",
-      "help_text": "These options are common to all nf-core pipelines and allow you to customise some of the core preferences for how the pipeline runs.\n\nTypically these options would be set in a Nextflow config file loaded for all pipeline runs, such as `~/.nextflow/config`.",
-      "properties": {
-        "help": {
-          "type": "boolean",
-          "description": "Display help text.",
-          "fa_icon": "fas fa-question-circle",
-          "hidden": true
-        },
-        "publish_dir_mode": {
-          "type": "string",
-          "default": "copy",
-          "description": "Method used to save pipeline results to output directory.",
-          "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
-          "fa_icon": "fas fa-copy",
-          "enum": [
-            "symlink",
-            "rellink",
-            "link",
-            "copy",
-            "copyNoFollow",
-            "move"
-          ],
-          "hidden": true
-        },
-        "email_on_fail": {
-          "type": "string",
-          "description": "Email address for completion summary, only when pipeline fails.",
-          "fa_icon": "fas fa-exclamation-triangle",
-          "pattern": "^([a-zA-Z0-9_\\-\\.]+)@([a-zA-Z0-9_\\-\\.]+)\\.([a-zA-Z]{2,5})$",
-          "help_text": "An email address to send a summary email to when the pipeline is completed - ONLY sent if the pipeline does not exit successfully.",
-          "hidden": true
-        },
-        "plaintext_email": {
-          "type": "boolean",
-          "description": "Send plain-text email instead of HTML.",
-          "fa_icon": "fas fa-remove-format",
-          "hidden": true
-        },
-        "max_multiqc_email_size": {
-          "type": "string",
-          "description": "File size limit when attaching MultiQC reports to summary emails.",
-          "pattern": "^\\d+(\\.\\d+)?\\.?\\s*(K|M|G|T)?B$",
-          "default": "25.MB",
-          "fa_icon": "fas fa-file-upload",
-          "hidden": true
-        },
-        "preprocessing_qc_tool": {
-          "type": "string",
-          "default": "fastqc",
-          "enum": ["fastqc", "falco"],
-          "help_text": "Falco is designed as a drop-in replacement for FastQC but written in C++ for faster computation. We particularly recommend using falco when using long reads (due to reduced memory constraints), however is also applicable for short reads.",
-          "description": "Specify the tool used for quality control of raw sequencing reads"
-        },
-        "monochrome_logs": {
-          "type": "boolean",
-          "description": "Do not use coloured log outputs.",
-          "fa_icon": "fas fa-palette",
-          "hidden": true
-        },
-        "hook_url": {
-          "type": "string",
-          "description": "Incoming hook URL for messaging service",
-          "fa_icon": "fas fa-people-group",
-          "help_text": "Incoming hook URL for messaging service. Currently, only MS Teams is supported.",
-          "hidden": true
-        },
-        "multiqc_config": {
-          "type": "string",
-          "description": "Custom config file to supply to MultiQC.",
-          "fa_icon": "fas fa-cog",
-          "hidden": true
-        },
-        "multiqc_logo": {
-          "type": "string",
-          "description": "Custom logo file to supply to MultiQC. File name must also be set in the MultiQC config file",
-          "fa_icon": "fas fa-image",
-          "hidden": true
-        },
-        "multiqc_methods_description": {
-          "type": "string",
-          "description": "Custom MultiQC yaml file containing HTML including a methods description.",
-          "fa_icon": "fas fa-cog"
-        },
-        "tracedir": {
-          "type": "string",
-          "description": "Directory to keep pipeline Nextflow logs and reports.",
-          "default": "${params.outdir}/pipeline_info",
-          "fa_icon": "fas fa-cogs",
-          "hidden": true
-        },
-        "validate_params": {
-          "type": "boolean",
-          "description": "Boolean whether to validate parameters against the schema at runtime",
-          "default": true,
-          "fa_icon": "fas fa-check-square",
-          "hidden": true
-        },
-        "show_hidden_params": {
-          "type": "boolean",
-          "fa_icon": "far fa-eye-slash",
-          "description": "Show all params when using `--help`",
-          "hidden": true,
-          "help_text": "By default, parameters set as _hidden_ in the schema are not shown on the command line when a user runs with `--help`. Specifying this option will tell the pipeline to show all parameters."
-        },
-        "enable_conda": {
-          "type": "boolean",
-          "description": "Run this workflow with Conda. You can also use '-profile conda' instead of providing this parameter.",
-          "hidden": true,
-          "fa_icon": "fas fa-bacon"
-        }
-      }
-    },
-    "reference_genome_options": {
-      "title": "Reference genome options",
-      "type": "object",
-      "fa_icon": "fas fa-dna",
-      "description": "Reference genome related files and options required for the workflow.",
-      "properties": {
-        "genome": {
-          "type": "string",
-          "description": "Name of iGenomes reference.",
-          "fa_icon": "fas fa-book",
-          "help_text": "If using a reference genome configured in the pipeline using iGenomes, use this parameter to give the ID for the reference. This is then used to build the full paths for all required reference genome files e.g. `--genome GRCh38`. \n\nSee the [nf-core website docs](https://nf-co.re/usage/reference_genomes) for more details.",
-          "hidden": true
-        },
-        "igenomes_base": {
-          "type": "string",
-          "format": "directory-path",
-          "description": "Directory / URL base for iGenomes references.",
-          "default": "s3://ngi-igenomes/igenomes",
-          "fa_icon": "fas fa-cloud-download-alt",
-          "hidden": true
-        },
-        "igenomes_ignore": {
-          "type": "boolean",
-          "description": "Do not load the iGenomes reference config.",
-          "fa_icon": "fas fa-ban",
-          "hidden": true,
-          "help_text": "Do not load `igenomes.config` when running the pipeline. You may choose this option if you observe clashes between custom parameters and those supplied in `igenomes.config`."
-        }
-      }
-    }
-  },
-  "allOf": [
-    {
-      "$ref": "#/definitions/input_output_options"
-    },
-    {
-      "$ref": "#/definitions/preprocessing_general_qc_options"
-    },
-    {
-      "$ref": "#/definitions/preprocessing_short_read_qc_options"
-    },
-    {
-      "$ref": "#/definitions/preprocessing_long_read_qc_options"
-    },
-    {
-      "$ref": "#/definitions/preprocessing_host_removal_options"
-    },
-    {
-      "$ref": "#/definitions/preprocessing_run_merging_options"
-    },
-    {
-      "$ref": "#/definitions/profiling_options"
-    },
-    {
-      "$ref": "#/definitions/postprocessing_and_visualisation_options"
-    },
-    {
-      "$ref": "#/definitions/institutional_config_options"
-    },
-    {
-      "$ref": "#/definitions/max_job_request_options"
-    },
-    {
-      "$ref": "#/definitions/generic_options"
-    },
-    {
-      "$ref": "#/definitions/reference_genome_options"
-    }
-  ],
-  "properties": {
-    "save_mgc_counts": {
-      "type": "boolean",
-      "description": "Save the mgc reads count for mOTUs."
-    },
-    "save_ncbi_id": {
-      "type": "boolean",
-      "description": "Print NCBI taxonomic id for mOTUs."
-    },
-    "save_read_counts": {
-      "type": "boolean",
-      "description": "Print mOTUs result as counts instead of relative abundances."
-    }
-  }
-}
+    ]
+}
\ No newline at end of file

From 933b820c198808b5d6a5336b0bae2b2a369eb982 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Tue, 29 Nov 2022 16:57:07 +0100
Subject: [PATCH 495/789] Apply review suggestions

---
 conf/modules.config    |  6 +++---
 conf/test_motus.config |  6 +++---
 nextflow.config        |  6 +++---
 nextflow_schema.json   | 29 +++++++++++------------------
 4 files changed, 20 insertions(+), 27 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 0f54301..63be9ff 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -448,9 +448,9 @@ process {
     withName: MOTUS_PROFILE {
         ext.args = {
             [
-                params.save_ncbi_id ? "-p" : "",
-                params.save_read_counts ? "-c" : "",
-                params.save_mgc_counts ?  "-M ${task.ext.prefix}.mgc" : ""
+                params.motus_ncbi_id ? "-p" : "",
+                params.motus_read_counts ? "-c" : "",
+                params.motus_mgc_counts ?  "-M ${task.ext.prefix}.mgc" : ""
             ].join(',').replaceAll(','," ")
             }
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
diff --git a/conf/test_motus.config b/conf/test_motus.config
index 70681dd..8eb324b 100644
--- a/conf/test_motus.config
+++ b/conf/test_motus.config
@@ -39,8 +39,8 @@ params {
     run_centrifuge                        = false
     run_diamond                           = false
     run_motus                             = true
-    save_mgc_counts                       = true
-    save_ncbi_id                          = true
-    save_read_counts                      = true
+    motus_mgc_counts                       = true
+    motus_ncbi_id                          = true
+    motus_read_counts                      = true
     run_profile_standardisation           = true
 }
diff --git a/nextflow.config b/nextflow.config
index 91875b2..c9bb0f4 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -140,9 +140,9 @@ params {
 
     // mOTUs
     run_motus                  = false
-    save_mgc_counts            = false
-    save_ncbi_id               = false
-    save_read_counts           = false
+    motus_mgc_counts            = false
+    motus_ncbi_id               = false
+    motus_read_counts           = false
 
     // krona
     run_krona                  = false
diff --git a/nextflow_schema.json b/nextflow_schema.json
index cec0ab7..0b20762 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -63,7 +63,10 @@
                 "preprocessing_qc_tool": {
                     "type": "string",
                     "default": "fastqc",
-                    "enum": ["fastqc", "falco"],
+                    "enum": [
+                        "fastqc",
+                        "falco"
+                    ],
                     "help_text": "Falco is designed as a drop-in replacement for FastQC but written in C++ for faster computation. We particularly recommend using falco when using long reads (due to reduced memory constraints), however is also applicable for short reads.",
                     "description": "Specify the tool used for quality control of raw sequencing reads",
                     "fa_icon": "fas fa-tools"
@@ -470,17 +473,17 @@
                     "fa_icon": "fas fa-toggle-on",
                     "description": "Turn on profiling with mOTUs. Requires database to be present CSV file passed to --databases"
                 },
-                "save_mgc_counts": {
+                "motus_mgc_counts": {
                     "type": "boolean",
-                    "description": "Save the mgc reads count for mOTUs."
+                    "description": "Save the mgc reads count."
                 },
-                "save_read_counts": {
+                "motus_ncbi_id": {
                     "type": "boolean",
-                    "description": "Print mOTUs result as counts instead of relative abundances."
+                    "description": "Print NCBI id."
                 },
-                "save_ncbi_id": {
+                "motus_read_counts": {
                     "type": "boolean",
-                    "description": "Print NCBI taxonomic id for mOTUs."
+                    "description": "Print result as counts instead of relative abundances."
                 }
             },
             "fa_icon": "fas fa-align-center"
@@ -653,16 +656,6 @@
                     "fa_icon": "fas fa-file-upload",
                     "hidden": true
                 },
-                "preprocessing_qc_tool": {
-                    "type": "string",
-                    "default": "fastqc",
-                    "enum": [
-                        "fastqc",
-                        "falco"
-                    ],
-                    "help_text": "Falco is designed as a drop-in replacement for FastQC but written in C++ for faster computation. We particularly recommend using falco when using long reads (due to reduced memory constraints), however is also applicable for short reads.",
-                    "description": "Specify the tool used for quality control of raw sequencing reads"
-                },
                 "monochrome_logs": {
                     "type": "boolean",
                     "description": "Do not use coloured log outputs.",
@@ -791,4 +784,4 @@
             "$ref": "#/definitions/reference_genome_options"
         }
     ]
-}
\ No newline at end of file
+}

From 8067012c01c1e29803a5365529cd139d463543eb Mon Sep 17 00:00:00 2001
From: nf-core-bot <core@nf-co.re>
Date: Thu, 1 Dec 2022 09:15:35 +0000
Subject: [PATCH 496/789] [automated] Fix linting with Prettier

---
 nextflow_schema.json | 55 +++++++-------------------------------------
 1 file changed, 8 insertions(+), 47 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 0b20762..2fcdd80 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,11 +10,7 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": [
-                "input",
-                "databases",
-                "outdir"
-            ],
+            "required": ["input", "databases", "outdir"],
             "properties": {
                 "input": {
                     "type": "string",
@@ -63,10 +59,7 @@
                 "preprocessing_qc_tool": {
                     "type": "string",
                     "default": "fastqc",
-                    "enum": [
-                        "fastqc",
-                        "falco"
-                    ],
+                    "enum": ["fastqc", "falco"],
                     "help_text": "Falco is designed as a drop-in replacement for FastQC but written in C++ for faster computation. We particularly recommend using falco when using long reads (due to reduced memory constraints), however is also applicable for short reads.",
                     "description": "Specify the tool used for quality control of raw sequencing reads",
                     "fa_icon": "fas fa-tools"
@@ -95,10 +88,7 @@
                 "shortread_qc_tool": {
                     "type": "string",
                     "default": "fastp",
-                    "enum": [
-                        "fastp",
-                        "adapterremoval"
-                    ],
+                    "enum": ["fastp", "adapterremoval"],
                     "fa_icon": "fas fa-tools",
                     "description": "Specify which tool to use for short-read QC"
                 },
@@ -157,11 +147,7 @@
                 "shortread_complexityfilter_tool": {
                     "type": "string",
                     "default": "bbduk",
-                    "enum": [
-                        "bbduk",
-                        "prinseqplusplus",
-                        "fastp"
-                    ],
+                    "enum": ["bbduk", "prinseqplusplus", "fastp"],
                     "fa_icon": "fas fa-hammer",
                     "description": "Specify which tool to use for complexity filtering"
                 },
@@ -195,10 +181,7 @@
                 "shortread_complexityfilter_prinseqplusplus_mode": {
                     "type": "string",
                     "default": "entropy",
-                    "enum": [
-                        "entropy",
-                        "dust"
-                    ],
+                    "enum": ["entropy", "dust"],
                     "fa_icon": "fas fa-check-square",
                     "description": "Specify the complexity filter mode for PRINSEQ++"
                 },
@@ -372,15 +355,7 @@
                 "diamond_output_format": {
                     "type": "string",
                     "default": "tsv",
-                    "enum": [
-                        "blast",
-                        "xml",
-                        "txt",
-                        "daa",
-                        "sam",
-                        "tsv",
-                        "paf"
-                    ],
+                    "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"],
                     "fa_icon": "fas fa-file",
                     "description": "Specify output format from DIAMOND profiling.",
                     "help_text": "DIAMOND can produce output in a number of different formats, you can specify here which to produce.\n\nNote that DIAMOND can only produce one format at a time, and depending on which you pick, some downstream steps may not be executed. For example, selecting `daa` or `sam` will mean you will not get a tabular taxonomic profile as with the other tools.\n\nWill be overriden by `--diamond_save_reads.`\n\n> Modifies tool parameter(s):\n> - diamond blastx: `--outfmt`"
@@ -399,14 +374,7 @@
                 "kaiju_taxon_rank": {
                     "type": "string",
                     "default": "species",
-                    "enum": [
-                        "phylum",
-                        "class",
-                        "order",
-                        "family",
-                        "genus",
-                        "species"
-                    ],
+                    "enum": ["phylum", "class", "order", "family", "genus", "species"],
                     "fa_icon": "fas fa-tag",
                     "description": "Specify taxonomic rank to be displayed in Kaiju taxon table",
                     "help_text": "Specify the taxonomic level(s) to be displayed in the resulting Kaiju taxon table, as generated by the kaiju2table helper tool.\n\nThis can be either a single level (e.g. `species`), or a comma separated list to display the full taxonomic path (e.g. `superkingdom,phylum,class,order,family,genus,species.`).\n\n> Modifies tool parameter(s):\n> - kaiju2table: `-l`"
@@ -624,14 +592,7 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": [
-                        "symlink",
-                        "rellink",
-                        "link",
-                        "copy",
-                        "copyNoFollow",
-                        "move"
-                    ],
+                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
                     "hidden": true
                 },
                 "email_on_fail": {

From bc98f5b80f24b77d3168412e81e7e7feaf043bc0 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 1 Dec 2022 10:37:14 +0100
Subject: [PATCH 497/789] Separate KrakenUniq test run

---
 .github/workflows/ci.yml    | 33 +++++++++++++++++
 conf/test_krakenuniq.config | 72 +++++++++++++++++++++++++++++++++++++
 conf/test_motus.config      |  4 +++
 nextflow.config             |  1 +
 4 files changed, 110 insertions(+)
 create mode 100644 conf/test_krakenuniq.config

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index a2a1662..77440b7 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -101,3 +101,36 @@ jobs:
         with:
           command: nextflow run ${GITHUB_WORKSPACE} -profile test_motus,docker --outdir ./results --databases ./database_motus.csv
           attempt_limit: 3
+
+  krakenuniq:
+    name: Test mOTUs with workflow parameters
+    if: ${{ github.event_name != 'push' || (github.event_name == 'push' && github.repository == 'nf-core/taxprofiler') }}
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        NXF_VER:
+          - "21.10.3"
+          - "latest-everything"
+
+    steps:
+      - name: Check out pipeline code
+        uses: actions/checkout@v2
+
+      - name: Install Nextflow
+        uses: nf-core/setup-nextflow@v1
+        with:
+          version: "${{ matrix.NXF_VER }}"
+
+      - name: Show current locale
+        run: locale
+
+      - name: Set UTF-8 enabled locale
+        run: |
+          sudo locale-gen en_US.UTF-8
+          sudo update-locale LANG=en_US.UTF-8
+
+      - name: Run pipeline with test data
+        uses: Wandalen/wretry.action@v1.0.11
+        with:
+          command: nextflow run ${GITHUB_WORKSPACE} -profile test_krakenuniq,docker --outdir ./results
+          attempt_limit: 3
diff --git a/conf/test_krakenuniq.config b/conf/test_krakenuniq.config
new file mode 100644
index 0000000..c6e2548
--- /dev/null
+++ b/conf/test_krakenuniq.config
@@ -0,0 +1,72 @@
+/*
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+    Nextflow config file for running minimal tests
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+    Defines input files and everything required to run a fast and simple pipeline test.
+
+    Use as follows:
+        nextflow run nf-core/taxprofiler -profile test,<docker/singularity> --outdir <OUTDIR>
+
+----------------------------------------------------------------------------------------
+*/
+
+//
+// Separate test as KrakenUniq database can sometimes be too big for GHA
+//
+
+params {
+    config_profile_name        = 'Test profile'
+    config_profile_description = 'Minimal test to check mOTUs function'
+
+    // Limit resources so that this can run on GitHub Actions
+    max_cpus   = 2
+    max_memory = '6.GB'
+    max_time   = '6.h'
+
+    // Input data
+    // TODO nf-core: Specify the paths to your test data on nf-core/test-datasets
+    // TODO nf-core: Give any required params for the test so that command line flags are not needed
+    input                                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
+    databases                             = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database_krakenuniq.csv'
+    perform_shortread_qc                  = true
+    perform_longread_qc                   = true
+    shortread_qc_mergepairs               = true
+    perform_shortread_complexityfilter    = true
+    perform_shortread_hostremoval         = true
+    perform_longread_hostremoval          = true
+    perform_runmerging                    = true
+    hostremoval_reference                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/homo_sapiens/genome/genome.fasta'
+    run_kaiju                             = false`
+    run_kraken2                           = false`
+    run_bracken                           = false
+    run_malt                              = false
+    run_metaphlan3                        = false
+    run_centrifuge                        = false
+    run_diamond                           = false
+    run_krakenuniq                        = true
+    run_motus                             = false
+    run_krona                             = true
+    krona_taxonomy_directory              = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/sarscov2/metagenome/krona_taxonomy.tab'
+    malt_save_reads                       = true
+    kraken2_save_reads                    = true
+    centrifuge_save_reads                 = true
+    diamond_save_reads                    = true
+}
+
+process {
+    withName: MALT_RUN {
+        maxForks = 1
+    }
+    withName: MEGAN_RMA2INFO_TSV {
+        maxForks = 1
+    }
+    withName: MEGAN_RMA2INFO_KRONA {
+        maxForks = 1
+    }
+    withName: 'EIDO_VALIDATE' {
+        ext.args = '--st-index sample'
+    }
+    withName: 'EIDO_CONVERT' {
+        ext.args = '--st-index sample'
+    }
+}
diff --git a/conf/test_motus.config b/conf/test_motus.config
index 2428a4c..a077dad 100644
--- a/conf/test_motus.config
+++ b/conf/test_motus.config
@@ -10,6 +10,10 @@
 ----------------------------------------------------------------------------------------
 */
 
+//
+// Separate test as mOTUs database download can be flaky
+//
+
 params {
     config_profile_name        = 'mOTUs Test profile'
     config_profile_description = 'Minimal test to check mOTUs function'
diff --git a/nextflow.config b/nextflow.config
index 9ad8def..721a21c 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -242,6 +242,7 @@ profiles {
     test_nopreprocessing    { includeConfig 'conf/test_nopreprocessing.config' }
     test_nothing            { includeConfig 'conf/test_nothing.config' }
     test_motus              { includeConfig 'conf/test_motus.config' }
+    test_krakenuniq         { includeConfig 'conf/test_krakenuniq.config' }
     test_pep                { includeConfig 'conf/test_pep.config' }
 }
 

From e5bb627402179b42ef817845db8c99a0546c4a16 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Thu, 1 Dec 2022 11:12:31 +0100
Subject: [PATCH 498/789] Apply review suggestions

---
 conf/modules.config    |  6 ++--
 conf/test_motus.config |  6 ++--
 nextflow.config        |  6 ++--
 nextflow_schema.json   | 73 ++++++++++++++++++++++++++++++++----------
 4 files changed, 65 insertions(+), 26 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 63be9ff..1ff6f55 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -448,9 +448,9 @@ process {
     withName: MOTUS_PROFILE {
         ext.args = {
             [
-                params.motus_ncbi_id ? "-p" : "",
-                params.motus_read_counts ? "-c" : "",
-                params.motus_mgc_counts ?  "-M ${task.ext.prefix}.mgc" : ""
+                params.motus_use_ncbi_ids ? "-p" : "",
+                params.motus_output_type ? "-c" : "",
+                params.motus_save_mgcreadcounts ?  "-M ${task.ext.prefix}.mgc" : ""
             ].join(',').replaceAll(','," ")
             }
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
diff --git a/conf/test_motus.config b/conf/test_motus.config
index 8eb324b..b5c2c51 100644
--- a/conf/test_motus.config
+++ b/conf/test_motus.config
@@ -39,8 +39,8 @@ params {
     run_centrifuge                        = false
     run_diamond                           = false
     run_motus                             = true
-    motus_mgc_counts                       = true
-    motus_ncbi_id                          = true
-    motus_read_counts                      = true
+    motus_save_mgcreadcounts              = true
+    motus_use_ncbi_ids                    = true
+    motus_output_type                     = true
     run_profile_standardisation           = true
 }
diff --git a/nextflow.config b/nextflow.config
index c9bb0f4..b1da76a 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -140,9 +140,9 @@ params {
 
     // mOTUs
     run_motus                  = false
-    motus_mgc_counts            = false
-    motus_ncbi_id               = false
-    motus_read_counts           = false
+    motus_output_type          = false
+    motus_use_ncbi_ids         = false
+    motus_save_mgcreadcounts   = false
 
     // krona
     run_krona                  = false
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 2fcdd80..7c4998a 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,7 +10,11 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": ["input", "databases", "outdir"],
+            "required": [
+                "input",
+                "databases",
+                "outdir"
+            ],
             "properties": {
                 "input": {
                     "type": "string",
@@ -59,7 +63,10 @@
                 "preprocessing_qc_tool": {
                     "type": "string",
                     "default": "fastqc",
-                    "enum": ["fastqc", "falco"],
+                    "enum": [
+                        "fastqc",
+                        "falco"
+                    ],
                     "help_text": "Falco is designed as a drop-in replacement for FastQC but written in C++ for faster computation. We particularly recommend using falco when using long reads (due to reduced memory constraints), however is also applicable for short reads.",
                     "description": "Specify the tool used for quality control of raw sequencing reads",
                     "fa_icon": "fas fa-tools"
@@ -88,7 +95,10 @@
                 "shortread_qc_tool": {
                     "type": "string",
                     "default": "fastp",
-                    "enum": ["fastp", "adapterremoval"],
+                    "enum": [
+                        "fastp",
+                        "adapterremoval"
+                    ],
                     "fa_icon": "fas fa-tools",
                     "description": "Specify which tool to use for short-read QC"
                 },
@@ -147,7 +157,11 @@
                 "shortread_complexityfilter_tool": {
                     "type": "string",
                     "default": "bbduk",
-                    "enum": ["bbduk", "prinseqplusplus", "fastp"],
+                    "enum": [
+                        "bbduk",
+                        "prinseqplusplus",
+                        "fastp"
+                    ],
                     "fa_icon": "fas fa-hammer",
                     "description": "Specify which tool to use for complexity filtering"
                 },
@@ -181,7 +195,10 @@
                 "shortread_complexityfilter_prinseqplusplus_mode": {
                     "type": "string",
                     "default": "entropy",
-                    "enum": ["entropy", "dust"],
+                    "enum": [
+                        "entropy",
+                        "dust"
+                    ],
                     "fa_icon": "fas fa-check-square",
                     "description": "Specify the complexity filter mode for PRINSEQ++"
                 },
@@ -355,7 +372,15 @@
                 "diamond_output_format": {
                     "type": "string",
                     "default": "tsv",
-                    "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"],
+                    "enum": [
+                        "blast",
+                        "xml",
+                        "txt",
+                        "daa",
+                        "sam",
+                        "tsv",
+                        "paf"
+                    ],
                     "fa_icon": "fas fa-file",
                     "description": "Specify output format from DIAMOND profiling.",
                     "help_text": "DIAMOND can produce output in a number of different formats, you can specify here which to produce.\n\nNote that DIAMOND can only produce one format at a time, and depending on which you pick, some downstream steps may not be executed. For example, selecting `daa` or `sam` will mean you will not get a tabular taxonomic profile as with the other tools.\n\nWill be overriden by `--diamond_save_reads.`\n\n> Modifies tool parameter(s):\n> - diamond blastx: `--outfmt`"
@@ -374,7 +399,14 @@
                 "kaiju_taxon_rank": {
                     "type": "string",
                     "default": "species",
-                    "enum": ["phylum", "class", "order", "family", "genus", "species"],
+                    "enum": [
+                        "phylum",
+                        "class",
+                        "order",
+                        "family",
+                        "genus",
+                        "species"
+                    ],
                     "fa_icon": "fas fa-tag",
                     "description": "Specify taxonomic rank to be displayed in Kaiju taxon table",
                     "help_text": "Specify the taxonomic level(s) to be displayed in the resulting Kaiju taxon table, as generated by the kaiju2table helper tool.\n\nThis can be either a single level (e.g. `species`), or a comma separated list to display the full taxonomic path (e.g. `superkingdom,phylum,class,order,family,genus,species.`).\n\n> Modifies tool parameter(s):\n> - kaiju2table: `-l`"
@@ -441,17 +473,17 @@
                     "fa_icon": "fas fa-toggle-on",
                     "description": "Turn on profiling with mOTUs. Requires database to be present CSV file passed to --databases"
                 },
-                "motus_mgc_counts": {
-                    "type": "boolean",
-                    "description": "Save the mgc reads count."
+                "motus_use_ncbi_ids": {
+                    "type": "string",
+                    "default": "false"
                 },
-                "motus_ncbi_id": {
-                    "type": "boolean",
-                    "description": "Print NCBI id."
+                "motus_save_mgcreadcounts": {
+                    "type": "string",
+                    "default": "false"
                 },
-                "motus_read_counts": {
-                    "type": "boolean",
-                    "description": "Print result as counts instead of relative abundances."
+                "motus_output_type": {
+                    "type": "string",
+                    "default": "false"
                 }
             },
             "fa_icon": "fas fa-align-center"
@@ -592,7 +624,14 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
+                    "enum": [
+                        "symlink",
+                        "rellink",
+                        "link",
+                        "copy",
+                        "copyNoFollow",
+                        "move"
+                    ],
                     "hidden": true
                 },
                 "email_on_fail": {

From 1965ade961c93c5efaf8fc6fee93af9838a788a8 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Thu, 1 Dec 2022 11:32:51 +0100
Subject: [PATCH 499/789] Update schema

---
 nextflow_schema.json | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 7c4998a..2864a52 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -474,16 +474,16 @@
                     "description": "Turn on profiling with mOTUs. Requires database to be present CSV file passed to --databases"
                 },
                 "motus_use_ncbi_ids": {
-                    "type": "string",
-                    "default": "false"
+                    "type": "boolean",
+                    "description": "Turn on printing ncbi taxonomic ids."
                 },
                 "motus_save_mgcreadcounts": {
-                    "type": "string",
-                    "default": "false"
+                    "type": "boolean",
+                    "description": "Turn on saving the mgc reads count to a separate file."
                 },
                 "motus_output_type": {
-                    "type": "string",
-                    "default": "false"
+                    "type": "boolean",
+                    "description": "Turn on printing result as counts instead of relative abundances."
                 }
             },
             "fa_icon": "fas fa-align-center"

From ef1d2da17917abd883d8937197fc92bb63ab372c Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Thu, 1 Dec 2022 12:53:34 +0100
Subject: [PATCH 500/789] Apply suggestions from code review

Co-authored-by: Moritz E. Beber <midnighter@posteo.net>
---
 .github/workflows/ci.yml    | 2 +-
 conf/test_krakenuniq.config | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 77440b7..d179c6e 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -103,7 +103,7 @@ jobs:
           attempt_limit: 3
 
   krakenuniq:
-    name: Test mOTUs with workflow parameters
+    name: Test KrakenUniq with workflow parameters
     if: ${{ github.event_name != 'push' || (github.event_name == 'push' && github.repository == 'nf-core/taxprofiler') }}
     runs-on: ubuntu-latest
     strategy:
diff --git a/conf/test_krakenuniq.config b/conf/test_krakenuniq.config
index c6e2548..c504ec9 100644
--- a/conf/test_krakenuniq.config
+++ b/conf/test_krakenuniq.config
@@ -16,7 +16,7 @@
 
 params {
     config_profile_name        = 'Test profile'
-    config_profile_description = 'Minimal test to check mOTUs function'
+    config_profile_description = 'Minimal test to check KrakenUniq function'
 
     // Limit resources so that this can run on GitHub Actions
     max_cpus   = 2

From 38a818fd174718229385a0ed301c42c76cadb9ec Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Thu, 1 Dec 2022 13:42:21 +0100
Subject: [PATCH 501/789] Apply review suggestions

---
 conf/modules.config    |  6 +++---
 conf/test_motus.config |  6 +++---
 nextflow.config        |  8 ++++----
 nextflow_schema.json   | 28 +++++++++++++++-------------
 4 files changed, 25 insertions(+), 23 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 1ff6f55..43e179d 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -448,9 +448,9 @@ process {
     withName: MOTUS_PROFILE {
         ext.args = {
             [
-                params.motus_use_ncbi_ids ? "-p" : "",
-                params.motus_output_type ? "-c" : "",
-                params.motus_save_mgcreadcounts ?  "-M ${task.ext.prefix}.mgc" : ""
+                params.motus_remove_ncbi_ids ? "" : "-p",
+                params.motus_use_relative_abundance ? "" : "-c",
+                params.motus_save_mgc_read_counts ?  "-M ${task.ext.prefix}.mgc" : ""
             ].join(',').replaceAll(','," ")
             }
         ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
diff --git a/conf/test_motus.config b/conf/test_motus.config
index b5c2c51..92c9a91 100644
--- a/conf/test_motus.config
+++ b/conf/test_motus.config
@@ -39,8 +39,8 @@ params {
     run_centrifuge                        = false
     run_diamond                           = false
     run_motus                             = true
-    motus_save_mgcreadcounts              = true
-    motus_use_ncbi_ids                    = true
-    motus_output_type                     = true
+    motus_save_mgc_read_counts            = true
+    motus_remove_ncbi_ids                 = true
+    motus_use_relative_abundance          = true
     run_profile_standardisation           = true
 }
diff --git a/nextflow.config b/nextflow.config
index b1da76a..84c5242 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -139,10 +139,10 @@ params {
     diamond_save_reads         = false // this will override default diamond output format so no taxonomic profile is generated! added directly to module in profiling.nf
 
     // mOTUs
-    run_motus                  = false
-    motus_output_type          = false
-    motus_use_ncbi_ids         = false
-    motus_save_mgcreadcounts   = false
+    run_motus                       = false
+    motus_use_relative_abundance    = false
+    motus_remove_ncbi_ids           = false
+    motus_save_mgc_read_counts      = false
 
     // krona
     run_krona                  = false
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 2864a52..e6db686 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -472,18 +472,6 @@
                     "type": "boolean",
                     "fa_icon": "fas fa-toggle-on",
                     "description": "Turn on profiling with mOTUs. Requires database to be present CSV file passed to --databases"
-                },
-                "motus_use_ncbi_ids": {
-                    "type": "boolean",
-                    "description": "Turn on printing ncbi taxonomic ids."
-                },
-                "motus_save_mgcreadcounts": {
-                    "type": "boolean",
-                    "description": "Turn on saving the mgc reads count to a separate file."
-                },
-                "motus_output_type": {
-                    "type": "boolean",
-                    "description": "Turn on printing result as counts instead of relative abundances."
                 }
             },
             "fa_icon": "fas fa-align-center"
@@ -783,5 +771,19 @@
         {
             "$ref": "#/definitions/reference_genome_options"
         }
-    ]
+    ],
+    "properties": {
+        "motus_use_relative_abundance": {
+            "type": "string",
+            "default": "false"
+        },
+        "motus_remove_ncbi_ids": {
+            "type": "string",
+            "default": "false"
+        },
+        "motus_save_mgc_read_counts": {
+            "type": "string",
+            "default": "false"
+        }
+    }
 }

From f960c14caf6cf9625f336fbaecad7acfee806d37 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 1 Dec 2022 13:46:57 +0100
Subject: [PATCH 502/789] Fix typos

---
 conf/test_krakenuniq.config | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/conf/test_krakenuniq.config b/conf/test_krakenuniq.config
index c504ec9..67b559e 100644
--- a/conf/test_krakenuniq.config
+++ b/conf/test_krakenuniq.config
@@ -36,8 +36,8 @@ params {
     perform_longread_hostremoval          = true
     perform_runmerging                    = true
     hostremoval_reference                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/homo_sapiens/genome/genome.fasta'
-    run_kaiju                             = false`
-    run_kraken2                           = false`
+    run_kaiju                             = false
+    run_kraken2                           = false
     run_bracken                           = false
     run_malt                              = false
     run_metaphlan3                        = false

From 4800a5f03ee654ed2cb16f3b7bf273c29bf95b18 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Thu, 1 Dec 2022 14:23:40 +0100
Subject: [PATCH 503/789] Update schema

---
 nextflow_schema.json | 28 +++++++++++++---------------
 1 file changed, 13 insertions(+), 15 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index e6db686..8d473a9 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -472,6 +472,18 @@
                     "type": "boolean",
                     "fa_icon": "fas fa-toggle-on",
                     "description": "Turn on profiling with mOTUs. Requires database to be present CSV file passed to --databases"
+                },
+                "motus_use_relative_abundance": {
+                    "type": "boolean",
+                    "description": "Turn on printing relative abundance instead of counts."
+                },
+                "motus_save_mgc_read_counts": {
+                    "type": "boolean",
+                    "description": "Turn on saving the mgc reads count."
+                },
+                "motus_remove_ncbi_ids": {
+                    "type": "boolean",
+                    "description": "Turn on removing NCBI taxonomic IDs."
                 }
             },
             "fa_icon": "fas fa-align-center"
@@ -771,19 +783,5 @@
         {
             "$ref": "#/definitions/reference_genome_options"
         }
-    ],
-    "properties": {
-        "motus_use_relative_abundance": {
-            "type": "string",
-            "default": "false"
-        },
-        "motus_remove_ncbi_ids": {
-            "type": "string",
-            "default": "false"
-        },
-        "motus_save_mgc_read_counts": {
-            "type": "string",
-            "default": "false"
-        }
-    }
+    ]
 }

From 410196c37b740fcc60e382ae3ba7142a2dc7341a Mon Sep 17 00:00:00 2001
From: nf-core-bot <core@nf-co.re>
Date: Thu, 1 Dec 2022 14:33:34 +0000
Subject: [PATCH 504/789] [automated] Fix linting with Prettier

---
 nextflow_schema.json | 55 +++++++-------------------------------------
 1 file changed, 8 insertions(+), 47 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 8d473a9..3468f64 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -10,11 +10,7 @@
             "type": "object",
             "fa_icon": "fas fa-terminal",
             "description": "Define where the pipeline should find input data and save output data.",
-            "required": [
-                "input",
-                "databases",
-                "outdir"
-            ],
+            "required": ["input", "databases", "outdir"],
             "properties": {
                 "input": {
                     "type": "string",
@@ -63,10 +59,7 @@
                 "preprocessing_qc_tool": {
                     "type": "string",
                     "default": "fastqc",
-                    "enum": [
-                        "fastqc",
-                        "falco"
-                    ],
+                    "enum": ["fastqc", "falco"],
                     "help_text": "Falco is designed as a drop-in replacement for FastQC but written in C++ for faster computation. We particularly recommend using falco when using long reads (due to reduced memory constraints), however is also applicable for short reads.",
                     "description": "Specify the tool used for quality control of raw sequencing reads",
                     "fa_icon": "fas fa-tools"
@@ -95,10 +88,7 @@
                 "shortread_qc_tool": {
                     "type": "string",
                     "default": "fastp",
-                    "enum": [
-                        "fastp",
-                        "adapterremoval"
-                    ],
+                    "enum": ["fastp", "adapterremoval"],
                     "fa_icon": "fas fa-tools",
                     "description": "Specify which tool to use for short-read QC"
                 },
@@ -157,11 +147,7 @@
                 "shortread_complexityfilter_tool": {
                     "type": "string",
                     "default": "bbduk",
-                    "enum": [
-                        "bbduk",
-                        "prinseqplusplus",
-                        "fastp"
-                    ],
+                    "enum": ["bbduk", "prinseqplusplus", "fastp"],
                     "fa_icon": "fas fa-hammer",
                     "description": "Specify which tool to use for complexity filtering"
                 },
@@ -195,10 +181,7 @@
                 "shortread_complexityfilter_prinseqplusplus_mode": {
                     "type": "string",
                     "default": "entropy",
-                    "enum": [
-                        "entropy",
-                        "dust"
-                    ],
+                    "enum": ["entropy", "dust"],
                     "fa_icon": "fas fa-check-square",
                     "description": "Specify the complexity filter mode for PRINSEQ++"
                 },
@@ -372,15 +355,7 @@
                 "diamond_output_format": {
                     "type": "string",
                     "default": "tsv",
-                    "enum": [
-                        "blast",
-                        "xml",
-                        "txt",
-                        "daa",
-                        "sam",
-                        "tsv",
-                        "paf"
-                    ],
+                    "enum": ["blast", "xml", "txt", "daa", "sam", "tsv", "paf"],
                     "fa_icon": "fas fa-file",
                     "description": "Specify output format from DIAMOND profiling.",
                     "help_text": "DIAMOND can produce output in a number of different formats, you can specify here which to produce.\n\nNote that DIAMOND can only produce one format at a time, and depending on which you pick, some downstream steps may not be executed. For example, selecting `daa` or `sam` will mean you will not get a tabular taxonomic profile as with the other tools.\n\nWill be overriden by `--diamond_save_reads.`\n\n> Modifies tool parameter(s):\n> - diamond blastx: `--outfmt`"
@@ -399,14 +374,7 @@
                 "kaiju_taxon_rank": {
                     "type": "string",
                     "default": "species",
-                    "enum": [
-                        "phylum",
-                        "class",
-                        "order",
-                        "family",
-                        "genus",
-                        "species"
-                    ],
+                    "enum": ["phylum", "class", "order", "family", "genus", "species"],
                     "fa_icon": "fas fa-tag",
                     "description": "Specify taxonomic rank to be displayed in Kaiju taxon table",
                     "help_text": "Specify the taxonomic level(s) to be displayed in the resulting Kaiju taxon table, as generated by the kaiju2table helper tool.\n\nThis can be either a single level (e.g. `species`), or a comma separated list to display the full taxonomic path (e.g. `superkingdom,phylum,class,order,family,genus,species.`).\n\n> Modifies tool parameter(s):\n> - kaiju2table: `-l`"
@@ -624,14 +592,7 @@
                     "description": "Method used to save pipeline results to output directory.",
                     "help_text": "The Nextflow `publishDir` option specifies which intermediate files should be saved to the output directory. This option tells the pipeline what method should be used to move these files. See [Nextflow docs](https://www.nextflow.io/docs/latest/process.html#publishdir) for details.",
                     "fa_icon": "fas fa-copy",
-                    "enum": [
-                        "symlink",
-                        "rellink",
-                        "link",
-                        "copy",
-                        "copyNoFollow",
-                        "move"
-                    ],
+                    "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"],
                     "hidden": true
                 },
                 "email_on_fail": {

From 7e7299203c9e8e21242eb3fd9cc51b913d8f7816 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Fri, 2 Dec 2022 08:55:23 +0100
Subject: [PATCH 505/789] Set values to false

---
 conf/test_motus.config | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/conf/test_motus.config b/conf/test_motus.config
index 29808ed..ee41447 100644
--- a/conf/test_motus.config
+++ b/conf/test_motus.config
@@ -44,8 +44,8 @@ params {
     run_diamond                           = false
     run_krakenuniq                        = false
     run_motus                             = true
-    motus_save_mgc_read_counts            = true
-    motus_remove_ncbi_ids                 = true
-    motus_use_relative_abundance          = true
+    motus_save_mgc_read_counts            = false
+    motus_remove_ncbi_ids                 = false
+    motus_use_relative_abundance          = false
     run_profile_standardisation           = true
 }

From de74e4f727ae5c35b12c3203aa1462be4c985037 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 2 Dec 2022 12:47:14 +0100
Subject: [PATCH 506/789] Fix centrifuge warning, filter out long reads from
 Brakcen, add some caveat docs to usage.md

---
 docs/usage.md                                 | 24 ++++++++++++++++++-
 subworkflows/local/profiling.nf               | 10 +++++++-
 .../local/standardisation_profiles.nf         | 10 ++++----
 3 files changed, 37 insertions(+), 7 deletions(-)

diff --git a/docs/usage.md b/docs/usage.md
index a87102c..d21761f 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -248,9 +248,31 @@ You can optionally save the FASTQ output of the run merging with the `--save_run
 
 ##### Profiling
 
+###### Bracken
+
+It is unclear whether Bracken is suitable for running long reads, as it makes certain assumptions about read lengths. Furthemore, during testing we found issues where Bracken would fail on the long-read test data. Therefore nf-core/taxprofiler does not run Bracken on data specified as being sequenced with `OXFORD_NANOPORE` in the input samplesheet. If you believe this to be wrong, please contact us on the nf-core slack and we can discuss this.
+
+###### Centrifuge
+
+Centrifuge currently does not accept FASTA files as input, therefore no output will be produced for these input files.
+
+###### DIAMOND
+
+DIAMOND only allows output of a single format at a time, therefore parameters such --diamond_save_reads supplied will result in only aligned reads in SAM format will be produced, no taxonomic profiles will be available. Be aware of this when setting up your pipeline runs, depending n your particular use case.
+
 ###### MALT
 
-nf-core/taxprofiler uses MALT 0.4.1, which is a compatively old version. However it has been found that the most recent version of MALT (0.5.\*), at the time of writing, is broken. [The LCA step appears not to be executed](http://megan.informatik.uni-tuebingen.de/t/lca-placement-failure-with-malt-v-0-5-2-and-0-5-3/1996/3), pushing all hits to the leaves of the taxonomy. However, if you need to use a more recent taxonomy map file with your databases, the output of `malt-build` from MALT 0.5.3 should be still be compatible with `malt-run` of 0.4.1.
+MALT does not support paired-end reads alignment (unlike other tools), therefore nf-core/taxprofiler aligns these as indepenent files if read-merging is skipped. If you skip merging, you can sum or average the results of the counts of the pairs.
+
+Krona can only be run on MALT output if path to Krona taxonomy database supplied to `--krona_taxonomy_directory`. Therefore if you do not supply the a KRona directory, Krona plots will not be produced for MALT.
+
+###### MetaPhlAn3
+
+MetaPhlAn3 currently does not accept FASTA files as input, therefore no output will be produced for these input files.
+
+###### mOTUs
+
+mOTUs currently does not accept FASTA files as input, therefore no output will be produced for these input files.
 
 ### Updating the pipeline
 
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index aeee2a4..5256951 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -145,7 +145,15 @@ workflow PROFILING {
     if ( params.run_kraken2 && params.run_bracken ) {
         // Remove files from 'pure' kraken2 runs, so only those aligned against Bracken & kraken2 database are used.
         def ch_kraken2_output = KRAKEN2_KRAKEN2.out.report
-            .filter { meta, report -> meta['tool'] == 'bracken' }
+            .filter {
+                meta, report ->
+                    if ( meta['instrument_platform'] == 'OXFORD_NANOPORE' ) log.warn "[nf-core/taxprofiler] Bracken has not been evaluated for long-read data. Skipping Bracken for sample ${meta.id}."
+                    meta['tool'] == 'bracken' && meta['instrument_platform'] != 'OXFORD_NANOPORE'
+
+
+            }
+
+
 
         // If necessary, convert the eight column output to six column output.
         if (params.kraken2_save_minimizers) {
diff --git a/subworkflows/local/standardisation_profiles.nf b/subworkflows/local/standardisation_profiles.nf
index cbb0fab..8c73472 100644
--- a/subworkflows/local/standardisation_profiles.nf
+++ b/subworkflows/local/standardisation_profiles.nf
@@ -3,7 +3,7 @@
 //
 
 include { KAIJU_KAIJU2TABLE                                                     } from '../../modules/nf-core/kaiju/kaiju2table/main'
-include { KRAKENTOOLS_COMBINEKREPORTS                                           } from '../../modules/nf-core/krakentools/combinekreports/main'
+include { KRAKENTOOLS_COMBINEKREPORTS as KRAKENTOOLS_COMBINEKREPORTS_KRAKEN     } from '../../modules/nf-core/krakentools/combinekreports/main'
 include { KRAKENTOOLS_COMBINEKREPORTS as KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE } from '../../modules/nf-core/krakentools/combinekreports/main'
 include { METAPHLAN3_MERGEMETAPHLANTABLES                                       } from '../../modules/nf-core/metaphlan3/mergemetaphlantables/main'
 include { MOTUS_MERGE                                                           } from '../../modules/nf-core/motus/merge/main'
@@ -93,10 +93,10 @@ workflow STANDARDISATION_PROFILES {
                                     [[id:it[0]], it[1]]
                                 }
 
-    KRAKENTOOLS_COMBINEKREPORTS ( ch_profiles_for_kraken2 )
-    ch_standardised_tables = ch_standardised_tables.mix( KRAKENTOOLS_COMBINEKREPORTS.out.txt )
-    ch_multiqc_files = ch_multiqc_files.mix( KRAKENTOOLS_COMBINEKREPORTS.out.txt )
-    ch_versions = ch_versions.mix( KRAKENTOOLS_COMBINEKREPORTS.out.versions )
+    KRAKENTOOLS_COMBINEKREPORTS_KRAKEN ( ch_profiles_for_kraken2 )
+    ch_standardised_tables = ch_standardised_tables.mix( KRAKENTOOLS_COMBINEKREPORTS_KRAKEN.out.txt )
+    ch_multiqc_files = ch_multiqc_files.mix( KRAKENTOOLS_COMBINEKREPORTS_KRAKEN.out.txt )
+    ch_versions = ch_versions.mix( KRAKENTOOLS_COMBINEKREPORTS_KRAKEN.out.versions )
 
     // MetaPhlAn3
 

From ab42f6b66272240223ee7807ad08c5b8ac9c7b1c Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 2 Dec 2022 12:49:00 +0100
Subject: [PATCH 507/789] wteak message

---
 subworkflows/local/profiling.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index b8eb086..ec15386 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -147,7 +147,7 @@ workflow PROFILING {
         def ch_kraken2_output = KRAKEN2_KRAKEN2.out.report
             .filter {
                 meta, report ->
-                    if ( meta['instrument_platform'] == 'OXFORD_NANOPORE' ) log.warn "[nf-core/taxprofiler] Bracken has not been evaluated for long-read data. Skipping Bracken for sample ${meta.id}."
+                    if ( meta['instrument_platform'] == 'OXFORD_NANOPORE' ) log.warn "[nf-core/taxprofiler] Bracken has not been evaluated for Nanopore data. Skipping Bracken for sample ${meta.id}."
                     meta['tool'] == 'bracken' && meta['instrument_platform'] != 'OXFORD_NANOPORE'
 
 

From cf8ad9677124c57e8ade33d5d56de719e6eb9e5b Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Fri, 2 Dec 2022 15:09:08 +0100
Subject: [PATCH 508/789] Update subworkflows/local/profiling.nf

---
 subworkflows/local/profiling.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index ec15386..2454ef3 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -147,8 +147,8 @@ workflow PROFILING {
         def ch_kraken2_output = KRAKEN2_KRAKEN2.out.report
             .filter {
                 meta, report ->
-                    if ( meta['instrument_platform'] == 'OXFORD_NANOPORE' ) log.warn "[nf-core/taxprofiler] Bracken has not been evaluated for Nanopore data. Skipping Bracken for sample ${meta.id}."
                     meta['tool'] == 'bracken' && meta['instrument_platform'] != 'OXFORD_NANOPORE'
+                    if ( meta['instrument_platform'] == 'OXFORD_NANOPORE' ) log.warn "[nf-core/taxprofiler] Bracken has not been evaluated for Nanopore data. Skipping Bracken for sample ${meta.id}."
 
 
             }

From 0dccfddc249107e69f3dfdb748d304a0e2aaa676 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sat, 3 Dec 2022 21:38:25 +0100
Subject: [PATCH 509/789] Switch order back

---
 subworkflows/local/profiling.nf | 6 +-----
 1 file changed, 1 insertion(+), 5 deletions(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 2454ef3..f5c970c 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -147,14 +147,10 @@ workflow PROFILING {
         def ch_kraken2_output = KRAKEN2_KRAKEN2.out.report
             .filter {
                 meta, report ->
-                    meta['tool'] == 'bracken' && meta['instrument_platform'] != 'OXFORD_NANOPORE'
                     if ( meta['instrument_platform'] == 'OXFORD_NANOPORE' ) log.warn "[nf-core/taxprofiler] Bracken has not been evaluated for Nanopore data. Skipping Bracken for sample ${meta.id}."
-
-
+                    meta['tool'] == 'bracken' && meta['instrument_platform'] != 'OXFORD_NANOPORE'
             }
 
-
-
         // If necessary, convert the eight column output to six column output.
         if (params.kraken2_save_minimizers) {
             ch_kraken2_output = KRAKEN2_STANDARD_REPORT(ch_kraken2_output).report

From 0a0dffa37ca581386d17cb9dd4296e18697196f4 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sun, 4 Dec 2022 12:06:33 +0100
Subject: [PATCH 510/789] Try separating MALT

---
 .github/workflows/ci.yml | 33 +++++++++++++++++++++++++++++++++
 conf/test.config         |  2 +-
 2 files changed, 34 insertions(+), 1 deletion(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index d179c6e..dad2838 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -134,3 +134,36 @@ jobs:
         with:
           command: nextflow run ${GITHUB_WORKSPACE} -profile test_krakenuniq,docker --outdir ./results
           attempt_limit: 3
+
+  malt:
+    name: Test MALT with workflow parameters
+    if: ${{ github.event_name != 'push' || (github.event_name == 'push' && github.repository == 'nf-core/taxprofiler') }}
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        NXF_VER:
+          - "21.10.3"
+          - "latest-everything"
+
+    steps:
+      - name: Check out pipeline code
+        uses: actions/checkout@v2
+
+      - name: Install Nextflow
+        uses: nf-core/setup-nextflow@v1
+        with:
+          version: "${{ matrix.NXF_VER }}"
+
+      - name: Show current locale
+        run: locale
+
+      - name: Set UTF-8 enabled locale
+        run: |
+          sudo locale-gen en_US.UTF-8
+          sudo update-locale LANG=en_US.UTF-8
+
+      - name: Run pipeline with test data
+        uses: Wandalen/wretry.action@v1.0.11
+        with:
+          command: nextflow run ${GITHUB_WORKSPACE} -profile test_nothing,docker --run_malt --outdir ./results
+          attempt_limit: 3
diff --git a/conf/test.config b/conf/test.config
index 898743e..db9f81d 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -35,7 +35,7 @@ params {
     run_kaiju                             = true
     run_kraken2                           = true
     run_bracken                           = true
-    run_malt                              = true
+    run_malt                              = false
     run_metaphlan3                        = true
     run_centrifuge                        = true
     run_diamond                           = true

From 4529e7e5457df2de7557c6e8d7c1295f3c24daa7 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Thu, 1 Dec 2022 17:25:25 +0100
Subject: [PATCH 511/789] refactor: change parameter exclude unmerged to
 include

---
 .github/workflows/ci.yml                       | 4 ++--
 conf/modules.config                            | 2 +-
 docs/usage.md                                  | 2 +-
 nextflow.config                                | 2 +-
 nextflow_schema.json                           | 6 +++---
 subworkflows/local/shortread_adapterremoval.nf | 4 ++--
 workflows/taxprofiler.nf                       | 2 +-
 7 files changed, 11 insertions(+), 11 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index dad2838..11db52e 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -28,10 +28,10 @@ jobs:
           - "--perform_longread_qc false"
           - "--perform_shortread_qc false"
           - "--shortread_qc_tool fastp"
-          - "--shortread_qc_tool fastp --shortread_qc_mergepairs --shortread_qc_excludeunmerged"
+          - "--shortread_qc_tool fastp --shortread_qc_mergepairs --shortread_qc_includeunmerged"
           - "--shortread_qc_tool fastp --shortread_qc_mergepairs"
           - "--shortread_qc_tool adapterremoval"
-          - "--shortread_qc_tool adapterremoval --shortread_qc_mergepairs --shortread_qc_excludeunmerged"
+          - "--shortread_qc_tool adapterremoval --shortread_qc_mergepairs --shortread_qc_includeunmerged"
           - "--shortread_qc_tool adapterremoval --shortread_qc_mergepairs"
           - "--shortread_complexityfilter_tool bbduk"
           - "--shortread_complexityfilter_tool prinseqplusplus"
diff --git a/conf/modules.config b/conf/modules.config
index f6045e5..dd85c0c 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -79,7 +79,7 @@ process {
     withName: FASTP_PAIRED {
         ext.args   = [
             // collapsing options - option to retain singletons
-            params.shortread_qc_excludeunmerged ? '' : "--include_unmerged",
+            params.shortread_qc_includeunmerged ? '--include_unmerged' : '',
             // trimming options
             params.shortread_qc_skipadaptertrim ? "--disable_adapter_trimming" : "",
             params.shortread_qc_adapterlist ? "" : params.shortread_qc_adapter1 ? "--adapter_sequence ${params.shortread_qc_adapter1}" : "",
diff --git a/docs/usage.md b/docs/usage.md
index d21761f..d2f41bf 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -204,7 +204,7 @@ It is highly recommended to run this on raw reads to remove artifacts from seque
 There are currently two options for short-read preprocessing: `fastp` or `adapterremoval`.
 
 For adapter clipping, you can either rely on tool default adapter sequences, or supply your own adapters (`--shortread_qc_adapter1` and `--shortread_qc_adapter2`)
-By default, paired-end merging is not activated and paired-end profiling is performed where supported otherwise pairs will be independently profiled. If paired-end merging is activated you can also specify whether to exclude unmerged reads in the reads sent for profiling (`--shortread_qc_mergepairs` and `--shortread_qc_excludeunmerged`).
+By default, paired-end merging is not activated and paired-end profiling is performed where supported otherwise pairs will be independently profiled. If paired-end merging is activated you can also specify whether to include unmerged reads in the reads sent for profiling (`--shortread_qc_mergepairs` and `--shortread_qc_includeunmerged`).
 You can also turn off clipping and only perform paired-end merging, if requested. This can be useful when processing data downloaded from the ENA, SRA, or DDBJ (`--shortread_qc_skipadaptertrim`).
 Both tools support length filtering of reads and can be tuned with `--shortread_qc_minlength`. Performing length filtering can be useful to remove short (often low sequencing complexity) sequences that result in unspecific classification and therefore slow down runtime during profiling, with minimal gain.
 
diff --git a/nextflow.config b/nextflow.config
index 3cf160d..54e220d 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -66,7 +66,7 @@ params {
     shortread_qc_tool                = 'fastp'
     shortread_qc_skipadaptertrim     = false
     shortread_qc_mergepairs          = true
-    shortread_qc_excludeunmerged     = false
+    shortread_qc_includeunmerged     = false
     shortread_qc_adapter1            = null
     shortread_qc_adapter2            = null
     shortread_qc_adapterlist         = null
diff --git a/nextflow_schema.json b/nextflow_schema.json
index ae4e311..350830c 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -125,11 +125,11 @@
                     "default": true,
                     "help_text": "Turn on the merging of read-pairs of paired-end short read sequencing data for AdapterRemoval (this is performed automatically with fastp).\n\n> Modifies tool parameter(s):\n> - AdapterRemoval: `--collapse`\n"
                 },
-                "shortread_qc_excludeunmerged": {
+                "shortread_qc_includeunmerged": {
                     "type": "boolean",
                     "fa_icon": "far fa-times-circle",
-                    "description": "Discard unmerged reads from paired-end merging",
-                    "help_text": "Turns off the inclusion of unmerged reads in resulting processing FASTQ file of paired-end sequencing data when using `fastp`.\n\nThis can be useful in cases where you prefer to have very short reads (e.g. aDNA), thus excluding longer-reads or possibly faulty reads where one of the pair was discarded.\n\n> Modifies tool parameter(s):\n> - removed from reads `--include_unmerged`\n"
+                    "description": "Include unmerged reads from paired-end merging in the downstream processing",
+                    "help_text": "Turns on the inclusion of unmerged reads in resulting processing FASTQ file of paired-end sequencing data when using `fastp`.\n\nExcluding unmerged reads can be useful in cases where you prefer to have very short reads (e.g. aDNA), thus excluding longer-reads or possibly faulty reads where one of the pair was discarded.\n\n> Modifies tool parameter(s):\n> - adds option `--include_unmerged`\n"
                 },
                 "shortread_qc_minlength": {
                     "type": "integer",
diff --git a/subworkflows/local/shortread_adapterremoval.nf b/subworkflows/local/shortread_adapterremoval.nf
index 6567007..4340e0d 100644
--- a/subworkflows/local/shortread_adapterremoval.nf
+++ b/subworkflows/local/shortread_adapterremoval.nf
@@ -30,7 +30,7 @@ workflow SHORTREAD_ADAPTERREMOVAL {
      * has to be exported in a separate channel and we must manually recombine when necessary.
      */
 
-    if ( params.shortread_qc_mergepairs && !params.shortread_qc_excludeunmerged ) {
+    if ( params.shortread_qc_mergepairs && params.shortread_qc_includeunmerged ) {
 
         ch_concat_fastq = Channel.empty()
             .mix(
@@ -55,7 +55,7 @@ workflow SHORTREAD_ADAPTERREMOVAL {
         ch_adapterremoval_reads_prepped = CAT_FASTQ.out.reads
             .mix(ADAPTERREMOVAL_SINGLE.out.singles_truncated)
 
-    } else if ( params.shortread_qc_mergepairs && params.shortread_qc_excludeunmerged ) {
+    } else if ( params.shortread_qc_mergepairs && !params.shortread_qc_includeunmerged ) {
 
         ch_concat_fastq = Channel.empty()
             .mix(
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index ba52a4f..68fc47a 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -28,7 +28,7 @@ if ( params.input ) {
 if (params.databases) { ch_databases = file(params.databases) } else { exit 1, 'Input database sheet not specified!' }
 
 if (params.shortread_qc_mergepairs && params.run_malt ) log.warn "[nf-core/taxprofiler] MALT does not accept uncollapsed paired-reads. Pairs will be profiled as separate files."
-if (params.shortread_qc_excludeunmerged && !params.shortread_qc_mergepairs) exit 1, "ERROR: [nf-core/taxprofiler] cannot include unmerged reads when merging not turned on. Please specify --shortread_qc_mergepairs"
+if (params.shortread_qc_includeunmerged && !params.shortread_qc_mergepairs) exit 1, "ERROR: [nf-core/taxprofiler] cannot include unmerged reads when merging is not turned on. Please specify --shortread_qc_mergepairs"
 
 if (params.shortread_complexityfilter_tool == 'fastp' && ( params.perform_shortread_qc == false || params.shortread_qc_tool != 'fastp' ))  exit 1, "ERROR: [nf-core/taxprofiler] cannot use fastp complexity filtering if preprocessing not turned on and/or tool is not fastp. Please specify --perform_shortread_qc and/or --shortread_qc_tool 'fastp'"
 

From b2088bcbb3bfc1057543df056783dcb3defdfd4a Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Sun, 4 Dec 2022 21:53:38 +0100
Subject: [PATCH 512/789] docs: improve description of
 `shortread_qc_includeunmerged`

---
 nextflow_schema.json | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 350830c..02085d5 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -128,8 +128,8 @@
                 "shortread_qc_includeunmerged": {
                     "type": "boolean",
                     "fa_icon": "far fa-times-circle",
-                    "description": "Include unmerged reads from paired-end merging in the downstream processing",
-                    "help_text": "Turns on the inclusion of unmerged reads in resulting processing FASTQ file of paired-end sequencing data when using `fastp`.\n\nExcluding unmerged reads can be useful in cases where you prefer to have very short reads (e.g. aDNA), thus excluding longer-reads or possibly faulty reads where one of the pair was discarded.\n\n> Modifies tool parameter(s):\n> - adds option `--include_unmerged`\n"
+                    "description": "Include unmerged reads from paired-end merging in the downstream analysis",
+                    "help_text": "Turns on the inclusion of unmerged reads in resulting FASTQ file from merging paired-end sequencing data when using `fastp` and/or `AdapterRemoval`. For `fastp` this means the unmerged read pairs are directly included in the output FASTQ file. For `AdapterRemoval`, additional output files containing unmerged reads are all concatenated into one file by the workflow.\n\nExcluding unmerged reads can be useful in cases where you prefer to have very short reads (e.g. aDNA), thus excluding longer-reads or possibly faulty reads where one of the pair was discarded.\n\n> Adds `fastp` option: `--include_unmerged`\n"
                 },
                 "shortread_qc_minlength": {
                     "type": "integer",

From 24e5bc54101873f86a5e64610162769651ba8f26 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Sun, 4 Dec 2022 21:54:10 +0100
Subject: [PATCH 513/789] refactor: use shorter and more explicit syntax

---
 subworkflows/local/shortread_adapterremoval.nf | 8 ++------
 1 file changed, 2 insertions(+), 6 deletions(-)

diff --git a/subworkflows/local/shortread_adapterremoval.nf b/subworkflows/local/shortread_adapterremoval.nf
index 4340e0d..7f5a0fb 100644
--- a/subworkflows/local/shortread_adapterremoval.nf
+++ b/subworkflows/local/shortread_adapterremoval.nf
@@ -40,9 +40,7 @@ workflow SHORTREAD_ADAPTERREMOVAL {
                 ADAPTERREMOVAL_PAIRED.out.paired_truncated
             )
             .map { meta, reads ->
-                def meta_new = meta.clone()
-                meta_new.single_end = true
-                [meta_new, reads]
+                [meta + [single_end: true], reads]
             }
             .groupTuple()
             // Paired-end reads cause a nested tuple during grouping.
@@ -63,9 +61,7 @@ workflow SHORTREAD_ADAPTERREMOVAL {
                 ADAPTERREMOVAL_PAIRED.out.collapsed_truncated
             )
             .map { meta, reads ->
-                def meta_new = meta.clone()
-                meta_new.single_end = true
-                [meta_new, reads]
+                [meta + [single_end: true], reads]
             }
             .groupTuple()
             .map { meta, fastq -> [meta, fastq.flatten()] }

From 3dba6405c53939a81ec3e82569d9c7ec7290e0c0 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 6 Dec 2022 11:47:16 +0100
Subject: [PATCH 514/789] Sets correct default for --shortread_qc_mergepairs

---
 nextflow.config      | 2 +-
 nextflow_schema.json | 3 +--
 2 files changed, 2 insertions(+), 3 deletions(-)

diff --git a/nextflow.config b/nextflow.config
index 54e220d..00edd9b 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -65,7 +65,7 @@ params {
     perform_shortread_qc             = false
     shortread_qc_tool                = 'fastp'
     shortread_qc_skipadaptertrim     = false
-    shortread_qc_mergepairs          = true
+    shortread_qc_mergepairs          = false
     shortread_qc_includeunmerged     = false
     shortread_qc_adapter1            = null
     shortread_qc_adapter2            = null
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 02085d5..d6debb3 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -122,8 +122,7 @@
                     "type": "boolean",
                     "fa_icon": "fas fa-toggle-on",
                     "description": "Turn on merging of read pairs for paired-end data",
-                    "default": true,
-                    "help_text": "Turn on the merging of read-pairs of paired-end short read sequencing data for AdapterRemoval (this is performed automatically with fastp).\n\n> Modifies tool parameter(s):\n> - AdapterRemoval: `--collapse`\n"
+                    "help_text": "Turn on the merging of read-pairs of paired-end short read sequencing data. \n\n> Modifies tool parameter(s):\n> - AdapterRemoval: `--collapse`\n> - fastp: `-m --merged_out`\n"
                 },
                 "shortread_qc_includeunmerged": {
                     "type": "boolean",

From d8751787ac6b609ef87ca218a970fef354ed8a8a Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 7 Dec 2022 07:27:40 +0100
Subject: [PATCH 515/789] Update bracken so parameters come directly from
 database args

---
 modules.json                             | 2 +-
 modules/nf-core/bracken/bracken/main.nf  | 7 ++-----
 modules/nf-core/bracken/bracken/meta.yml | 5 ++++-
 3 files changed, 7 insertions(+), 7 deletions(-)

diff --git a/modules.json b/modules.json
index f2b6da8..fb721a8 100644
--- a/modules.json
+++ b/modules.json
@@ -23,7 +23,7 @@
                     },
                     "bracken/bracken": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "8cab56516076b23c6f8eb1ac20ba4ce9692c85e1"
                     },
                     "cat/fastq": {
                         "branch": "master",
diff --git a/modules/nf-core/bracken/bracken/main.nf b/modules/nf-core/bracken/bracken/main.nf
index 5e08418..ac7d1af 100644
--- a/modules/nf-core/bracken/bracken/main.nf
+++ b/modules/nf-core/bracken/bracken/main.nf
@@ -21,12 +21,9 @@ process BRACKEN_BRACKEN {
     task.ext.when == null || task.ext.when
 
     script:
-    def threshold = meta.threshold ?: 10
-    def taxonomic_level = meta.taxonomic_level ?: 'S'
-    def read_length = meta.read_length ?: 150
-    def args = task.ext.args ?: "-l ${taxonomic_level} -t ${threshold} -r ${read_length}"
+    def args = task.ext.args ?: ""
     def prefix = task.ext.prefix ?: "${meta.id}"
-    bracken_report = "${prefix}_${taxonomic_level}.tsv"
+    bracken_report = "${prefix}.tsv"
     // WARN: Version information not provided by tool on CLI.
     // Please update version string below when bumping container versions.
     def VERSION = '2.7'
diff --git a/modules/nf-core/bracken/bracken/meta.yml b/modules/nf-core/bracken/bracken/meta.yml
index 1931161..4a05edd 100644
--- a/modules/nf-core/bracken/bracken/meta.yml
+++ b/modules/nf-core/bracken/bracken/meta.yml
@@ -1,7 +1,10 @@
 name: bracken_bracken
 description: Re-estimate taxonomic abundance of metagenomic samples analyzed by kraken.
 keywords:
-  - sort
+  - bracken
+  - metagenomics
+  - abundance
+  - kraken2
 tools:
   - bracken:
       description: Bracken (Bayesian Reestimation of Abundance with KrakEN) is a highly accurate statistical method that computes the abundance of species in DNA sequences from a metagenomics sample.

From da3d2d96e6f04ee382ac63888fe1fbb2497d5abc Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 9 Dec 2022 10:27:50 +0100
Subject: [PATCH 516/789] Fix linting

---
 README.md    |   2 +-
 modules.json | 117 ++++++++++++++++++++++++++++++++++-----------------
 2 files changed, 79 insertions(+), 40 deletions(-)

diff --git a/README.md b/README.md
index 767fceb..3f45cba 100644
--- a/README.md
+++ b/README.md
@@ -54,7 +54,7 @@ On release, automated continuous integration tests run the pipeline on a full-si
 
 ## Quick Start
 
-1. Install [`Nextflow`](https://www.nextflow.io/docs/latest/getstarted.html#installation) (`>=21.10.3`).
+1. Install [`Nextflow`](https://www.nextflow.io/docs/latest/getstarted.html#installation) (`>=22.10.1`).
 
 2. Install any of [`Docker`](https://docs.docker.com/engine/installation/), [`Singularity`](https://www.sylabs.io/guides/3.0/user-guide/) (you can follow [this tutorial](https://singularity-tutorial.github.io/01-installation/)), [`Podman`](https://podman.io/), [`Shifter`](https://nersc.gitlab.io/development/shifter/how-to-use/) or [`Charliecloud`](https://hpc.github.io/charliecloud/) for full pipeline reproducibility _(you can use [`Conda`](https://conda.io/miniconda.html) both to install Nextflow itself and also to manage software within pipelines. Please only use it within pipelines as a last resort; see [docs](https://nf-co.re/usage/configuration#basic-configuration-profiles))_.
 
diff --git a/modules.json b/modules.json
index fe1c8ac..377e902 100644
--- a/modules.json
+++ b/modules.json
@@ -7,35 +7,43 @@
                 "nf-core": {
                     "adapterremoval": {
                         "branch": "master",
-                        "git_sha": "ce7cf27e377fdacf7ebe8e75903ec70405ea1659"
+                        "git_sha": "ce7cf27e377fdacf7ebe8e75903ec70405ea1659",
+                        "installed_by": ["modules"]
                     },
                     "bbmap/bbduk": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "bowtie2/align": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "bowtie2/build": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "bracken/bracken": {
                         "branch": "master",
-                        "git_sha": "8cab56516076b23c6f8eb1ac20ba4ce9692c85e1"
+                        "git_sha": "8cab56516076b23c6f8eb1ac20ba4ce9692c85e1",
+                        "installed_by": ["modules"]
                     },
                     "cat/fastq": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "centrifuge/centrifuge": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "centrifuge/kreport": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "custom/dumpsoftwareversions": {
                         "branch": "master",
@@ -44,23 +52,28 @@
                     },
                     "diamond/blastx": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "eido/convert": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "eido/validate": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "falco": {
                         "branch": "master",
-                        "git_sha": "fc959214036403ad83efe7a41d43d0606c445cda"
+                        "git_sha": "fc959214036403ad83efe7a41d43d0606c445cda",
+                        "installed_by": ["modules"]
                     },
                     "fastp": {
                         "branch": "master",
-                        "git_sha": "1e49f31e93c56a3832833eef90a02d3cde5a3f7e"
+                        "git_sha": "1e49f31e93c56a3832833eef90a02d3cde5a3f7e",
+                        "installed_by": ["modules"]
                     },
                     "fastqc": {
                         "branch": "master",
@@ -69,79 +82,98 @@
                     },
                     "filtlong": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "gunzip": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "kaiju/kaiju": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "kaiju/kaiju2krona": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "kaiju/kaiju2table": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "kraken2/kraken2": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "krakentools/combinekreports": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "krakentools/kreport2krona": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "krakenuniq/preloadedkrakenuniq": {
                         "branch": "master",
-                        "git_sha": "05649975c6611c6e007537a7984e186e12ae03af"
+                        "git_sha": "05649975c6611c6e007537a7984e186e12ae03af",
+                        "installed_by": ["modules"]
                     },
                     "krona/ktimporttaxonomy": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "krona/ktimporttext": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "malt/run": {
                         "branch": "master",
-                        "git_sha": "6d9712f03ec2de8264a50ee4541a617e1e063b51"
+                        "git_sha": "6d9712f03ec2de8264a50ee4541a617e1e063b51",
+                        "installed_by": ["modules"]
                     },
                     "megan/rma2info": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "metaphlan3/mergemetaphlantables": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "metaphlan3/metaphlan3": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "minimap2/align": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "minimap2/index": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "motus/merge": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "motus/profile": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "multiqc": {
                         "branch": "master",
@@ -150,31 +182,38 @@
                     },
                     "porechop/porechop": {
                         "branch": "master",
-                        "git_sha": "2a4e85eb81875a572bb58133e37f84ba3cc484d7"
+                        "git_sha": "2a4e85eb81875a572bb58133e37f84ba3cc484d7",
+                        "installed_by": ["modules"]
                     },
                     "prinseqplusplus": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "samtools/bam2fq": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "samtools/index": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "samtools/stats": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "samtools/view": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     },
                     "untar": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905"
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
                     }
                 }
             }

From dca0b86c78a3f420f6858b44597c721ce87f3d86 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 9 Dec 2022 10:28:48 +0100
Subject: [PATCH 517/789] Fix versions

---
 .github/workflows/ci.yml | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 11dbf97..a26c28b 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -73,7 +73,7 @@ jobs:
     strategy:
       matrix:
         NXF_VER:
-          - "21.10.3"
+          - "22.10.1"
           - "latest-everything"
 
     steps:
@@ -113,7 +113,7 @@ jobs:
     strategy:
       matrix:
         NXF_VER:
-          - "21.10.3"
+          - "22.10.1"
           - "latest-everything"
 
     steps:
@@ -146,7 +146,7 @@ jobs:
     strategy:
       matrix:
         NXF_VER:
-          - "21.10.3"
+          - "22.10.1"
           - "latest-everything"
 
     steps:

From 97fbc2bceb54cacc66f97eccdb250b58779442ee Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Fri, 9 Dec 2022 12:58:51 +0100
Subject: [PATCH 518/789] Update usage.md

---
 docs/usage.md | 27 +++++++++++++++++++++++----
 1 file changed, 23 insertions(+), 4 deletions(-)

diff --git a/docs/usage.md b/docs/usage.md
index 8ec435a..36d3a8d 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -185,7 +185,7 @@ work                # Directory containing the nextflow working files
 
 ### Sequencing quality control
 
-nf-core taxprofiler offers [`falco`][https://github.com/smithlabcode/falco] as an alternative option to [`FastQC`](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/).
+nf-core taxprofiler offers [`falco`](https://github.com/smithlabcode/falco) as an alternative option to [`FastQC`](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/).
 
 ### Preprocessing Steps
 
@@ -202,14 +202,14 @@ Raw sequencing read processing in the form of adapter clipping and paired-end re
 
 It is highly recommended to run this on raw reads to remove artifacts from sequencing that can cause false positive identification of taxa (e.g. contaminated reference genomes) and/or skews in taxonomic abundance profiles.
 
-There are currently two options for short-read preprocessing: `fastp` or `adapterremoval`.
+There are currently two options for short-read preprocessing: [`fastp`](https://github.com/OpenGene/fastp) or [`adapterremoval`](https://github.com/MikkelSchubert/adapterremoval).
 
 For adapter clipping, you can either rely on tool default adapter sequences, or supply your own adapters (`--shortread_qc_adapter1` and `--shortread_qc_adapter2`)
 By default, paired-end merging is not activated and paired-end profiling is performed where supported otherwise pairs will be independently profiled. If paired-end merging is activated you can also specify whether to include unmerged reads in the reads sent for profiling (`--shortread_qc_mergepairs` and `--shortread_qc_includeunmerged`).
 You can also turn off clipping and only perform paired-end merging, if requested. This can be useful when processing data downloaded from the ENA, SRA, or DDBJ (`--shortread_qc_skipadaptertrim`).
 Both tools support length filtering of reads and can be tuned with `--shortread_qc_minlength`. Performing length filtering can be useful to remove short (often low sequencing complexity) sequences that result in unspecific classification and therefore slow down runtime during profiling, with minimal gain.
 
-There is currently one option for long-read Oxford Nanopore processing: `porechop`.
+There is currently one option for long-read Oxford Nanopore processing: [`porechop`](https://github.com/rrwick/Porechop).
 
 For both short-read and long-read preprocessing, you can optionally save the resulting processed reads with `--save_preprocessed_reads`.
 
@@ -227,6 +227,8 @@ The tools offer different algorithms and parameters for removing low complexity
 
 You can optionally save the FASTQ output of the run merging with the `--save_complexityfiltered_reads`. If running with `fastp`, complexity filtering happens inclusively within the earlier shortread preprocessing step. Therefore there will not be an independent pipeline step for complexity filtering, and no independent FASTQ file (i.e. `--save_complexityfiltered_reads` will be ignored) - your complexity filtered reads will also be in the `fastp/` folder in the same file(s) as the preprocessed read.
 
+**We do not any read preprocessing or complexity filtering if you are using ONTs Guppy toolkit for basecalling and post-processing.**
+
 #### Host Removal
 
 Removal of possible-host reads from FASTQ files prior profiling can be activated with `--perform_shortread_hostremoval` or `--perform_longread_hostremoval`.
@@ -480,7 +482,7 @@ NXF_OPTS='-Xms1g -Xmx4g'
 Kraken2 allows the user to build custom databases. You can follow Kraken2 [tutorial](https://github.com/DerrickWood/kraken2/blob/master/docs/MANUAL.markdown#custom-databases).
 
 #### Centrifuge
-Centrifuge is similar to Kraken2 in that it enables to [build custom databases](https://ccb.jhu.edu/software/centrifuge/manual.shtml#custom-database). 
+Centrifuge allows the user to [build custom databases](https://ccb.jhu.edu/software/centrifuge/manual.shtml#custom-database).
 
 #### Kaiju
 It is possible to [create custom databases](https://github.com/bioinformatics-centre/kaiju#custom-database) with Kaiju.
@@ -495,12 +497,29 @@ malt-build -i path/to/fasta/files/*.{fna,fa} -s DNA -d index -t 8 -st 4 -a2t meg
 ```
 
 #### Bracken
+You can follow Bracken [tutorial](https://ccb.jhu.edu/software/bracken/index.shtml?t=manual) to build a custom database. Alternatively, you can use one of the indexes that can be found [here](https://benlangmead.github.io/aws-indexes/k2).
 
 #### KrakenUniq
+For KrakenUniq, we recommend using one of the available databases [here](https://benlangmead.github.io/aws-indexes/k2)
 
 #### DIAMOND
+To create a custom database for DIAMOND, the user should download and unzip the NCBI's taxonomy files. The `makedb` needs to be executed afterwards. A detailed description can be found [here](https://gensoft.pasteur.fr/docs/diamond/0.8.22/diamond_manual.pdf)
+
+```bash
+wget ftp://ftp.ncbi.nlm.nih.gov/pub/taxonomy/taxdmp.zip
+unzip taxdmp.zip
+
+## warning: large file!
+wget ftp://ftp.ncbi.nlm.nih.gov/pub/taxonomy/accession2taxid/prot.accession2taxid.FULL.gz
+
+## warning: takes a long time!
+cat ../raw/*.faa | diamond makedb -d testdb-diamond --taxonmap prot.accession2taxid.FULL.gz --taxonnodes nodes.dmp --taxonnames names.dmp
+
+rm *dmp *txt *gz *prt *zip
+```
 
 #### mOTUs
+A detailed description on how to download mOTUs database can be found [here](https://github.com/motu-tool/mOTUs)
 
 ## Troubleshooting and FAQs
 

From a622dcaef0f94e30c5062de114f6ef34f7114f06 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Fri, 9 Dec 2022 13:59:37 +0100
Subject: [PATCH 519/789] Delete one line

---
 docs/usage.md | 1 -
 1 file changed, 1 deletion(-)

diff --git a/docs/usage.md b/docs/usage.md
index 6ad005c..8f6d776 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -162,7 +162,6 @@ Expected (uncompressed) database files for each tool are as follows:
   with same release version of the mOTUs tools. The database for same version tools
   can be thus reused for multiple runs. Users can download the database once using the script above and
   specify the path the database to the TSV table provided to `--databases`.
-- **KrakenUniq** WIP
 
 ## Running the pipeline
 

From c5f4c9486acbcea695a49d048403ae3cb5d91790 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Fri, 9 Dec 2022 15:30:11 +0100
Subject: [PATCH 520/789] Start the documentation of output.md

---
 docs/output.md | 70 ++++++++++++++++++++++++++++++++++++++++++++++++++
 1 file changed, 70 insertions(+)

diff --git a/docs/output.md b/docs/output.md
index 177ca20..cbfb011 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -13,6 +13,13 @@ The directories listed below will be created in the results directory after the
 The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes data using the following steps:
 
 - [FastQC](#fastqc) - Raw read QC
+- [falco](#falco) - Alternative to FastQC for raw read QC
+- [fastp](#fastp) - Adapter trimming for Illumina data
+- [AdapterRemoval](#adapterremoval) - Adapter trimming for Illumina data
+- [Porechop](#porechop) - Adapter removal for Oxford Nanopore data
+- [BBDuk](#bbduk) - Quality trimming and filtering for Illumina data
+- [PRINSEQ++](#prinseq++) - Quality trimming and filtering for Illunina data
+- [Filtlong](#filtlong) - Quality trimming and filtering for Nanopore data
 - [MultiQC](#multiqc) - Aggregate report describing results and QC from the whole pipeline
 - [Pipeline information](#pipeline-information) - Report metrics generated during the workflow execution
 
@@ -37,6 +44,69 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d
 
 > **NB:** The FastQC plots displayed in the MultiQC report shows _untrimmed_ reads. They may contain adapter sequence and potentially regions with low quality.
 
+### fastp
+
+fastp can automatically detect adapter sequences for Illumina data.
+
+<details markdown="1">
+<summary>Output files</summary>
+
+- `fastp`
+
+</details>
+
+### AdapterRemoval
+
+<details markdown="1">
+<summary>Output files</summary>
+
+- `adapterremoval`
+
+</details>
+
+### Porechop
+
+<details markdown="1">
+<summary>Output files</summary>
+
+- `porechop`
+  - `<sample_id>.fastq.gz`
+
+</details>
+
+### BBDuk
+
+<details markdown="1">
+<summary>Output files</summary>
+
+- `bbduk`
+  - `<sample_id>.bbduk.log`
+  - `<sample_id>.fastq.gz`
+
+</details>
+
+### PRINSEQ++
+
+<details markdown="1">
+<summary>Output files</summary>
+
+- `prinseq++`
+
+</details>
+
+### Filtlong
+
+<details markdown="1">
+<summary>Output files</summary>
+
+- `filtlong`
+  - `<sample_id>_filtered.fastq.g`
+  - `<sample_id>_filtered.log`
+
+</details>
+
+
+
 ### MultiQC
 
 <details markdown="1">

From 98f3ab9fd1ba0e9a8c1bf5adcf5b5dd8bb7993f1 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Fri, 9 Dec 2022 15:35:51 +0100
Subject: [PATCH 521/789] Apply prettier

---
 docs/usage.md | 8 ++++++++
 1 file changed, 8 insertions(+)

diff --git a/docs/usage.md b/docs/usage.md
index 8f6d776..d17d168 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -484,15 +484,19 @@ NXF_OPTS='-Xms1g -Xmx4g'
 ### Tutorial - How to create your custom database
 
 #### Kraken2
+
 Kraken2 allows the user to build custom databases. You can follow Kraken2 [tutorial](https://github.com/DerrickWood/kraken2/blob/master/docs/MANUAL.markdown#custom-databases).
 
 #### Centrifuge
+
 Centrifuge allows the user to [build custom databases](https://ccb.jhu.edu/software/centrifuge/manual.shtml#custom-database).
 
 #### Kaiju
+
 It is possible to [create custom databases](https://github.com/bioinformatics-centre/kaiju#custom-database) with Kaiju.
 
 #### MALT
+
 To create a custom database for MALT, the user should download and unzip the following database which lists all NCBI records. The input files are specified using -i and the index is specified using -d. A detailed description for each argument can be found [here](https://software-ab.informatik.uni-tuebingen.de/download/malt/manual.pdf)
 
 ```bash
@@ -502,12 +506,15 @@ malt-build -i path/to/fasta/files/*.{fna,fa} -s DNA -d index -t 8 -st 4 -a2t meg
 ```
 
 #### Bracken
+
 You can follow Bracken [tutorial](https://ccb.jhu.edu/software/bracken/index.shtml?t=manual) to build a custom database. Alternatively, you can use one of the indexes that can be found [here](https://benlangmead.github.io/aws-indexes/k2).
 
 #### KrakenUniq
+
 For KrakenUniq, we recommend using one of the available databases [here](https://benlangmead.github.io/aws-indexes/k2)
 
 #### DIAMOND
+
 To create a custom database for DIAMOND, the user should download and unzip the NCBI's taxonomy files. The `makedb` needs to be executed afterwards. A detailed description can be found [here](https://gensoft.pasteur.fr/docs/diamond/0.8.22/diamond_manual.pdf)
 
 ```bash
@@ -524,6 +531,7 @@ rm *dmp *txt *gz *prt *zip
 ```
 
 #### mOTUs
+
 A detailed description on how to download mOTUs database can be found [here](https://github.com/motu-tool/mOTUs)
 
 ## Troubleshooting and FAQs

From 6d0b5d0a58d92fabfc239818f272bb06cfeb1e66 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Fri, 9 Dec 2022 15:38:59 +0100
Subject: [PATCH 522/789] Prettier

---
 docs/output.md | 2 --
 1 file changed, 2 deletions(-)

diff --git a/docs/output.md b/docs/output.md
index cbfb011..459d3a2 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -105,8 +105,6 @@ fastp can automatically detect adapter sequences for Illumina data.
 
 </details>
 
-
-
 ### MultiQC
 
 <details markdown="1">

From b35d26744ddc07310457d69cd0ae151bb6ab83cf Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Fri, 9 Dec 2022 17:11:48 +0100
Subject: [PATCH 523/789] Add classifiers

---
 docs/output.md | 75 ++++++++++++++++++++++++++++++++++++++++++++++++++
 1 file changed, 75 insertions(+)

diff --git a/docs/output.md b/docs/output.md
index cbfb011..e07d659 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -20,6 +20,13 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d
 - [BBDuk](#bbduk) - Quality trimming and filtering for Illumina data
 - [PRINSEQ++](#prinseq++) - Quality trimming and filtering for Illunina data
 - [Filtlong](#filtlong) - Quality trimming and filtering for Nanopore data
+- [Bowtie2](#bowtie2) - Host removal for Illumina reads
+- [minimap2](#minimap2) - Host removal for Nanopore reads
+- [samtoolsstats](#samtoolsstats) - Statistics from host removal
+- [cat] - **WIP**
+- [Kraken2](#kraken2) - Taxonomic classifier using exact k-mer matches
+- [KrakenUniq](#krakenuniq) - Taxonomic classifier that combines the k-mer-based classification and the number of unique k-mers found in each species
+- [Bracken](#bracken) -
 - [MultiQC](#multiqc) - Aggregate report describing results and QC from the whole pipeline
 - [Pipeline information](#pipeline-information) - Report metrics generated during the workflow execution
 
@@ -105,6 +112,74 @@ fastp can automatically detect adapter sequences for Illumina data.
 
 </details>
 
+### Bowtie2
+
+<details markdown="1">
+<summary>Output files</summary>
+
+- `bowtie2`
+  - `<sample_id>.bam`
+  - `<sample_id>.bowtie2.log`
+  - `<sample_id>.unmapped.fastq.gz`
+
+</details>
+
+### minimap2
+
+<details markdown="1">
+<summary>Output files</summary>
+
+- `minimap2`
+  - `<sample_id>.bam`
+
+</details>
+
+### Samtools stats
+
+<details markdown="1">
+<summary>Output files</summary>
+
+- `samtoolsstats`
+  - `<sample_id>.stats`
+
+</details>
+
+### cat
+
+<details markdown="1">
+<summary>Output files</summary>
+
+- `cat`
+
+</details>
+
+### Kraken2
+
+<details markdown="1">
+<summary>Output files</summary>
+
+- `kraken2`
+  - `<sample_id>.classified.fastq.gz`
+  - `<sample_id>.unclassified.fastq.gz`
+  - `<sample_id>.report.txt`
+  - `<sample_id>.classifiedreads.txt`
+
+</details>
+
+### KrakenUniq
+
+<details markdown="1">
+<summary>Output files</summary>
+
+- `krakenuniq`
+  - `<sample_id>.classified.fastq.gz`
+  - `<sample_id>.krakenuniq.classified.txt`
+  - `<sample_id>.krakenuniq.report.txt`
+  - `<sample_id>.unclassified.fastq.gz`
+
+  ## interleaved?
+
+</details>
 
 
 ### MultiQC

From 8939ce3e2088a7ba89c0fdbf29901e98df4e231f Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sun, 11 Dec 2022 16:52:34 +0100
Subject: [PATCH 524/789] Start adding bracken/combinebrackenreports (need
 smodule update)

---
 conf/modules.config                           |  9 +++++
 modules.json                                  |  5 +++
 .../bracken/combinebrackenoutputs/main.nf     | 36 +++++++++++++++++++
 .../bracken/combinebrackenoutputs/meta.yml    | 31 ++++++++++++++++
 .../local/standardisation_profiles.nf         | 19 ++++++++--
 5 files changed, 97 insertions(+), 3 deletions(-)
 create mode 100644 modules/nf-core/bracken/combinebrackenoutputs/main.nf
 create mode 100644 modules/nf-core/bracken/combinebrackenoutputs/meta.yml

diff --git a/conf/modules.config b/conf/modules.config
index dd85c0c..a8bf3e8 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -321,6 +321,15 @@ process {
         ]
     }
 
+    withName: BRACKEN_COMBINEBRACKENOUTPUTS {
+        ext.prefix = { "bracken_${meta.id}_combined_reports" }
+        publishDir = [
+            path: { "${params.outdir}/bracken/" },
+            mode: params.publish_dir_mode,
+            pattern: '*.{txt}'
+        ]
+    }
+
     withName: KRAKENTOOLS_COMBINEKREPORTS {
         ext.prefix = { "kraken2_${meta.id}_combined_reports" }
         publishDir = [
diff --git a/modules.json b/modules.json
index 377e902..7815f5d 100644
--- a/modules.json
+++ b/modules.json
@@ -30,6 +30,11 @@
                         "git_sha": "8cab56516076b23c6f8eb1ac20ba4ce9692c85e1",
                         "installed_by": ["modules"]
                     },
+                    "bracken/combinebrackenoutputs": {
+                        "branch": "master",
+                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "installed_by": ["modules"]
+                    },
                     "cat/fastq": {
                         "branch": "master",
                         "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
diff --git a/modules/nf-core/bracken/combinebrackenoutputs/main.nf b/modules/nf-core/bracken/combinebrackenoutputs/main.nf
new file mode 100644
index 0000000..73b7148
--- /dev/null
+++ b/modules/nf-core/bracken/combinebrackenoutputs/main.nf
@@ -0,0 +1,36 @@
+process BRACKEN_COMBINEBRACKENOUTPUTS {
+    label 'process_low'
+
+    conda (params.enable_conda ? "bioconda::bracken=2.7" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/bracken:2.7--py39hc16433a_0':
+        'quay.io/biocontainers/bracken:2.7--py39hc16433a_0' }"
+
+    input:
+    path input
+
+    output:
+    path "*.txt"       , emit: txt
+    path "versions.yml", emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def prefix = task.ext.prefix ?: "bracken_combined.txt"
+    // WARN: Version information not provided by tool on CLI.
+    // Please update version string below when bumping container versions.
+    def VERSION = '2.7'
+    """
+    combine_bracken_outputs.py \\
+        $args \\
+        --files ${input} \\
+        -o ${prefix}
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        combine_bracken_output: ${VERSION}
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/bracken/combinebrackenoutputs/meta.yml b/modules/nf-core/bracken/combinebrackenoutputs/meta.yml
new file mode 100644
index 0000000..c4a9712
--- /dev/null
+++ b/modules/nf-core/bracken/combinebrackenoutputs/meta.yml
@@ -0,0 +1,31 @@
+name: "bracken_combinebrackenoutputs"
+description: Combine output of metagenomic samples analyzed by bracken.
+keywords:
+  - sort
+tools:
+  - "bracken":
+      description: Bracken (Bayesian Reestimation of Abundance with KrakEN) is a highly accurate statistical method that computes the abundance of species in DNA sequences from a metagenomics sample.
+      homepage: https://ccb.jhu.edu/software/bracken/
+      documentation: https://ccb.jhu.edu/software/bracken/index.shtml?t=manual
+      tool_dev_url: https://github.com/jenniferlu717/Bracken
+      doi: "10.7717/peerj-cs.104"
+      licence: ["GPL v3"]
+
+input:
+  - input:
+      type: file
+      description: List of output files from bracken
+      pattern: "*"
+
+output:
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+  - txt:
+      type: file
+      description: Combined output in table format
+      pattern: "*.txt"
+
+authors:
+  - "@jfy133"
diff --git a/subworkflows/local/standardisation_profiles.nf b/subworkflows/local/standardisation_profiles.nf
index 8c73472..582aaed 100644
--- a/subworkflows/local/standardisation_profiles.nf
+++ b/subworkflows/local/standardisation_profiles.nf
@@ -2,6 +2,7 @@
 // Standardise output files e.g. aggregation
 //
 
+include { BRACKEN_COMBINEBRACKENOUTPUTS                                         } from '../../modules/nf-core/bracken/combinebrackenoutputs/main'
 include { KAIJU_KAIJU2TABLE                                                     } from '../../modules/nf-core/kaiju/kaiju2table/main'
 include { KRAKENTOOLS_COMBINEKREPORTS as KRAKENTOOLS_COMBINEKREPORTS_KRAKEN     } from '../../modules/nf-core/krakentools/combinekreports/main'
 include { KRAKENTOOLS_COMBINEKREPORTS as KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE } from '../../modules/nf-core/krakentools/combinekreports/main'
@@ -25,10 +26,11 @@ workflow STANDARDISATION_PROFILES {
     */
     ch_input_profiles = profiles
         .branch {
-            motus: it[0]['tool'] == 'motus'
-            kraken2: it[0]['tool'] == 'kraken2'
+            bracken: it[0]['tool'] == 'bracken'
             centrifuge: it[0]['tool'] == 'centrifuge'
+            kraken2: it[0]['tool'] == 'kraken2'
             metaphlan3: it[0]['tool'] == 'metaphlan3'
+            motus: it[0]['tool'] == 'motus'
             unknown: true
         }
 
@@ -49,7 +51,18 @@ workflow STANDARDISATION_PROFILES {
         Standardise and aggregate
     */
 
-        // CENTRIFUGE
+    // Bracken
+
+    ch_profiles_for_bracken = ch_input_profiles.bracken
+                            .map { [it[0]['db_name'], it[1]] }
+                            .groupTuple()
+                            .map {
+                                [[id:it[0]], it[1]]
+                            }
+
+    BRACKEN_COMBINEBRACKENOUTPUTS ( ch_profiles_for_bracken )
+
+    // CENTRIFUGE
 
     // Collect and replace id for db_name for prefix
     // Have to sort by size to ensure first file actually has hits otherwise

From 4b68e957702e2b3e68ed1cdfe91049b580498ad7 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 12 Dec 2022 08:49:13 +0100
Subject: [PATCH 525/789] Revert PEP validation back to python samplesheet
 check

---
 README.md                              |   2 -
 assets/samplesheet_schema.yaml         |  55 ------
 bin/check_samplesheet.py               | 236 +++++++++++++++++++++++++
 conf/modules.config                    |   8 -
 conf/test.config                       |   6 -
 conf/test_krakenuniq.config            |   6 -
 conf/test_pep.config                   |  45 -----
 docs/usage.md                          |   7 -
 lib/WorkflowMain.groovy                |   2 +-
 modules.json                           |  10 --
 modules/local/samplesheet_check.nf     |  27 +++
 modules/nf-core/eido/convert/main.nf   |  38 ----
 modules/nf-core/eido/convert/meta.yml  |  39 ----
 modules/nf-core/eido/validate/main.nf  |  33 ----
 modules/nf-core/eido/validate/meta.yml |  41 -----
 nextflow.config                        |   1 -
 subworkflows/local/input_check.nf      |  42 +----
 workflows/taxprofiler.nf               |   5 +-
 18 files changed, 275 insertions(+), 328 deletions(-)
 delete mode 100644 assets/samplesheet_schema.yaml
 create mode 100755 bin/check_samplesheet.py
 delete mode 100644 conf/test_pep.config
 create mode 100644 modules/local/samplesheet_check.nf
 delete mode 100644 modules/nf-core/eido/convert/main.nf
 delete mode 100644 modules/nf-core/eido/convert/meta.yml
 delete mode 100644 modules/nf-core/eido/validate/main.nf
 delete mode 100644 modules/nf-core/eido/validate/meta.yml

diff --git a/README.md b/README.md
index 3f45cba..ba4022f 100644
--- a/README.md
+++ b/README.md
@@ -77,8 +77,6 @@ On release, automated continuous integration tests run the pipeline on a full-si
    nextflow run nf-core/taxprofiler --input samplesheet.csv --databases database.csv --outdir <OUTDIR> --run_<TOOL1> --run_<TOOL1> -profile <docker/singularity/podman/shifter/charliecloud/conda/institute>
    ```
 
-Note pipeline supports both CSV and PEP input sample sheets. Find out more [here](http://pep.databio.org/en/2.1.0/specification/).
-
 ## Documentation
 
 The nf-core/taxprofiler pipeline comes with documentation about the pipeline [usage](https://nf-co.re/taxprofiler/usage), [parameters](https://nf-co.re/taxprofiler/parameters) and [output](https://nf-co.re/taxprofiler/output).
diff --git a/assets/samplesheet_schema.yaml b/assets/samplesheet_schema.yaml
deleted file mode 100644
index 88ff451..0000000
--- a/assets/samplesheet_schema.yaml
+++ /dev/null
@@ -1,55 +0,0 @@
-description: A schema for validation of samplesheet.csv for taxprofiler pipeline.
-imports:
-  - https://schema.databio.org/pep/2.1.0.yaml
-properties:
-  samples:
-    type: array
-    items:
-      type: object
-      properties:
-        sample:
-          type: string
-          description: "Sample identifier."
-          pattern: "^\\S*$"
-        run_accession:
-          type: string
-          description: "Run accession number."
-        instrument_platform:
-          type: string
-          description: "Name of the platform that sequenced the samples."
-          enum:
-            [
-              "ABI_SOLID",
-              "BGISEQ",
-              "CAPILLARY",
-              "COMPLETE_GENOMICS",
-              "DNBSEQ",
-              "HELICOS",
-              "ILLUMINA",
-              "ION_TORRENT",
-              "LS454",
-              "OXFORD_NANOPORE",
-              "PACBIO_SMRT",
-            ]
-        fastq1:
-          type: ["string", "null"]
-          description: "Optional FASTQ file for read 1 of paired-end sequenced libraries."
-          pattern: "^[\\S]+.(fq\\.gz|fastq\\.gz)$"
-        fastq2:
-          type: ["string", "null"]
-          description: "Optional FASTQ file for read 2 of paired-end sequenced libraries."
-          pattern: "^[\\S]+.(fq\\.gz|fastq\\.gz)$"
-        fasta:
-          type: ["string", "null"]
-          description: "Optional FASTA file."
-          pattern: "^[\\S]+.(fa\\.gz|fasta\\.gz)$"
-      required:
-        - sample
-        - run_accession
-        - instrument_platform
-      files:
-        - fastq1
-        - fastq2
-        - fasta
-required:
-  - samples
diff --git a/bin/check_samplesheet.py b/bin/check_samplesheet.py
new file mode 100755
index 0000000..ca54ed9
--- /dev/null
+++ b/bin/check_samplesheet.py
@@ -0,0 +1,236 @@
+#!/usr/bin/env python
+
+from distutils import extension
+import os
+import sys
+import errno
+import argparse
+
+
+def parse_args(args=None):
+    Description = "Reformat nf-core/taxprofiler samplesheet file and check its contents."
+
+    Epilog = "Example usage: python check_samplesheet.py <FILE_IN> <FILE_OUT>"
+
+    parser = argparse.ArgumentParser(description=Description, epilog=Epilog)
+    parser.add_argument("FILE_IN", help="Input samplesheet file.")
+    parser.add_argument("FILE_OUT", help="Output file.")
+    return parser.parse_args(args)
+
+
+def make_dir(path):
+    if len(path) > 0:
+        try:
+            os.makedirs(path)
+        except OSError as exception:
+            if exception.errno != errno.EEXIST:
+                raise exception
+
+
+def print_error(error, context="Line", context_str=""):
+    error_str = "ERROR: Please check samplesheet -> {}".format(error)
+    if context != "" and context_str != "":
+        error_str = "ERROR: Please check samplesheet -> {}\n{}: '{}'".format(
+            error, context.strip(), context_str.strip()
+        )
+    print(error_str)
+    sys.exit(1)
+
+
+def check_samplesheet(file_in, file_out):
+    """
+    This function checks that the samplesheet follows the following structure:
+
+    sample,run_accession,instrument_platform,fastq_1,fastq_2,fasta
+    2611,ERR5766174,ILLUMINA,,,ERX5474930_ERR5766174_1.fa.gz
+    2612,ERR5766176,ILLUMINA,ERX5474932_ERR5766176_1.fastq.gz,ERX5474932_ERR5766176_2.fastq.gz,
+    2612,ERR5766174,ILLUMINA,ERX5474936_ERR5766180_1.fastq.gz,,
+    2613,ERR5766181,ILLUMINA,ERX5474937_ERR5766181_1.fastq.gz,ERX5474937_ERR5766181_2.fastq.gz,
+    """
+
+    FQ_EXTENSIONS = (".fq.gz", ".fastq.gz")
+    FA_EXTENSIONS = (
+        ".fa",
+        ".fa.gz",
+        ".fasta",
+        ".fasta.gz",
+        ".fna",
+        ".fna.gz",
+        ".fas",
+        ".fas.gz",
+    )
+    INSTRUMENT_PLATFORMS = [
+        "ABI_SOLID",
+        "BGISEQ",
+        "CAPILLARY",
+        "COMPLETE_GENOMICS",
+        "DNBSEQ",
+        "HELICOS",
+        "ILLUMINA",
+        "ION_TORRENT",
+        "LS454",
+        "OXFORD_NANOPORE",
+        "PACBIO_SMRT",
+    ]
+
+    sample_mapping_dict = {}
+    with open(file_in, "r") as fin:
+
+        ## Check header
+        MIN_COLS = 4
+        HEADER = [
+            "sample",
+            "run_accession",
+            "instrument_platform",
+            "fastq_1",
+            "fastq_2",
+            "fasta",
+        ]
+        header = [x.strip('"') for x in fin.readline().strip().split(",")]
+
+        ## Check for missing mandatory columns
+        missing_columns = list(set(HEADER) - set(header))
+        if len(missing_columns) > 0:
+            print(
+                "ERROR: Missing required column header -> {}. Note some columns can otherwise be empty. See pipeline documentation (https://nf-co.re/taxprofiler/usage).".format(
+                    ",".join(missing_columns)
+                )
+            )
+            sys.exit(1)
+
+        ## Find locations of mandatory columns
+        header_locs = {}
+        for i in HEADER:
+            header_locs[i] = header.index(i)
+
+        ## Check sample entries
+        for line in fin:
+
+            ## Pull out only relevant columns for downstream checking
+            line_parsed = [x.strip().strip('"') for x in line.strip().split(",")]
+            lspl = [line_parsed[i] for i in header_locs.values()]
+
+            # Check valid number of columns per row
+            if len(lspl) < len(HEADER):
+                print_error(
+                    "Invalid number of columns (minimum = {})!".format(len(HEADER)),
+                    "Line",
+                    line,
+                )
+            num_cols = len([x for x in lspl if x])
+            if num_cols < MIN_COLS:
+                print_error(
+                    "Invalid number of populated columns (minimum = {})!".format(MIN_COLS),
+                    "Line",
+                    line,
+                )
+
+            ## Check sample name entries
+
+            (
+                sample,
+                run_accession,
+                instrument_platform,
+                fastq_1,
+                fastq_2,
+                fasta,
+            ) = lspl[: len(HEADER)]
+            sample = sample.replace(" ", "_")
+            if not sample:
+                print_error("Sample entry has not been specified!", "Line", line)
+
+            ## Check FastQ file extension
+            for fastq in [fastq_1, fastq_2]:
+                if fastq:
+                    if fastq.find(" ") != -1:
+                        print_error("FastQ file contains spaces!", "Line", line)
+                    if not fastq.endswith(FQ_EXTENSIONS):
+                        print_error(
+                            f"FastQ file does not have extension {' or '.join(list(FQ_EXTENSIONS))} !",
+                            "Line",
+                            line,
+                        )
+            if fasta:
+                if fasta.find(" ") != -1:
+                    print_error("FastA file contains spaces!", "Line", line)
+                if not fasta.endswith(FA_EXTENSIONS):
+                    print_error(
+                        f"FastA file does not have extension {' or '.join(list(FA_EXTENSIONS))}!",
+                        "Line",
+                        line,
+                    )
+            sample_info = []
+
+            # Check run_accession
+            if not run_accession:
+                print_error("Run accession has not been specified!", "Line", line)
+            else:
+                sample_info.append(run_accession)
+
+            # Check instrument_platform
+            if not instrument_platform:
+                print_error("Instrument platform has not been specified!", "Line", line)
+            else:
+                if instrument_platform not in INSTRUMENT_PLATFORMS:
+                    print_error(
+                        f"Instrument platform {instrument_platform} is not supported!",
+                        f"List of supported platforms {', '.join(INSTRUMENT_PLATFORMS)}",
+                        "Line",
+                        line,
+                    )
+                sample_info.append(instrument_platform)
+
+            ## Auto-detect paired-end/single-end
+            if sample and fastq_1 and fastq_2:  ## Paired-end short reads
+                sample_info.extend(["0", fastq_1, fastq_2, fasta])
+            elif sample and fastq_1 and not fastq_2:  ## Single-end short/long fastq reads
+                sample_info.extend(["1", fastq_1, fastq_2, fasta])
+            elif sample and fasta and not fastq_1 and not fastq_2:  ## Single-end long reads
+                sample_info.extend(["1", fastq_1, fastq_2, fasta])
+            elif fasta and (fastq_1 or fastq_2):
+                print_error(
+                    "FastQ and FastA files cannot be specified together in the same library!",
+                    "Line",
+                    line,
+                )
+            else:
+                print_error("Invalid combination of columns provided!", "Line", line)
+
+            ## Create sample mapping dictionary = { sample: [ run_accession, instrument_platform, single_end, fastq_1, fastq_2 , fasta ] }
+            if sample not in sample_mapping_dict:
+                sample_mapping_dict[sample] = [sample_info]
+            else:
+                if sample_info in sample_mapping_dict[sample]:
+                    print_error("Samplesheet contains duplicate rows!", "Line", line)
+                else:
+                    sample_mapping_dict[sample].append(sample_info)
+
+    ## Write validated samplesheet with appropriate columns
+    HEADER_OUT = [
+        "sample",
+        "run_accession",
+        "instrument_platform",
+        "single_end",
+        "fastq_1",
+        "fastq_2",
+        "fasta",
+    ]
+    if len(sample_mapping_dict) > 0:
+        out_dir = os.path.dirname(file_out)
+        make_dir(out_dir)
+        with open(file_out, "w") as fout:
+            fout.write(",".join(HEADER_OUT) + "\n")
+            for sample in sorted(sample_mapping_dict.keys()):
+                for idx, val in enumerate(sample_mapping_dict[sample]):
+                    fout.write(f"{sample},{','.join(val)}\n")
+    else:
+        print_error("No entries to process!", "Samplesheet: {}".format(file_in))
+
+
+def main(args=None):
+    args = parse_args(args)
+    check_samplesheet(args.FILE_IN, args.FILE_OUT)
+
+
+if __name__ == "__main__":
+    sys.exit(main())
diff --git a/conf/modules.config b/conf/modules.config
index dd85c0c..d84102c 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -495,12 +495,4 @@ process {
             saveAs: { filename -> filename.equals('versions.yml') ? null : filename }
         ]
     }
-
-    withName: 'EIDO_VALIDATE' {
-        ext.args = '--st-index sample'
-    }
-
-    withName: 'EIDO_CONVERT' {
-        ext.args = '--st-index sample'
-    }
 }
diff --git a/conf/test.config b/conf/test.config
index db9f81d..275e5a0 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -60,10 +60,4 @@ process {
     withName: MEGAN_RMA2INFO_KRONA {
         maxForks = 1
     }
-    withName: 'EIDO_VALIDATE' {
-        ext.args = '--st-index sample'
-    }
-    withName: 'EIDO_CONVERT' {
-        ext.args = '--st-index sample'
-    }
 }
diff --git a/conf/test_krakenuniq.config b/conf/test_krakenuniq.config
index 67b559e..7ba18fa 100644
--- a/conf/test_krakenuniq.config
+++ b/conf/test_krakenuniq.config
@@ -63,10 +63,4 @@ process {
     withName: MEGAN_RMA2INFO_KRONA {
         maxForks = 1
     }
-    withName: 'EIDO_VALIDATE' {
-        ext.args = '--st-index sample'
-    }
-    withName: 'EIDO_CONVERT' {
-        ext.args = '--st-index sample'
-    }
 }
diff --git a/conf/test_pep.config b/conf/test_pep.config
deleted file mode 100644
index 6ce788d..0000000
--- a/conf/test_pep.config
+++ /dev/null
@@ -1,45 +0,0 @@
-params {
-    config_profile_name        = 'Test PEP profile'
-    config_profile_description = 'Minimal test dataset to check pipeline function with PEP file as an input.'
-
-    // Limit resources so that this can run on GitHub Actions
-    max_cpus   = 2
-    max_memory = '6.GB'
-    max_time   = '6.h'
-
-    // Input data
-    input                                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/delete_me/pep/test_pep_format_files/config.yaml'
-    databases                             = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
-    perform_shortread_qc                  = true
-    perform_longread_qc                   = true
-    perform_shortread_complexityfilter    = true
-    perform_shortread_hostremoval         = true
-    perform_longread_hostremoval          = true
-    perform_runmerging                    = true
-    hostremoval_reference                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/homo_sapiens/genome/genome.fasta'
-    run_kaiju                             = true
-    run_kraken2                           = true
-    run_bracken                           = true
-    run_malt                              = true
-    run_metaphlan3                        = true
-    run_centrifuge                        = true
-    run_diamond                           = true
-    run_motus                             = false
-    run_krona                             = true
-    krona_taxonomy_directory              = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/sarscov2/metagenome/krona_taxonomy.tab'
-    malt_save_reads                       = true
-    kraken2_save_reads                    = true
-    centrifuge_save_reads                 = true
-    diamond_save_reads                    = true
-}
-
-
-process {
-    withName: MALT_RUN {
-        maxForks = 1
-        ext.args = { "-m ${params.malt_mode} -J-Xmx12G" }
-    }
-    withName: MEGAN_RMA2INFO {
-        maxForks = 1
-    }
-}
diff --git a/docs/usage.md b/docs/usage.md
index f748764..685c3e3 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -22,10 +22,6 @@ This samplesheet is then specified on the command line as follows:
 --input '[path to samplesheet file]' --databases '[path to database sheet file]'
 ```
 
-Note pipeline supports both CSV and PEP input sample sheets. Find out more [here](http://pep.databio.org/en/2.1.0/specification/).
-When using PEP as an input, the `samplesheet.csv` must be placed in the same folder
-as `config.yaml` file. A path to `samplesheet.csv` within the config must be absolute.
-
 ### Multiple runs of the same sample
 
 The `sample` identifiers have to be the same when you have re-sequenced the same sample more than once e.g. to increase sequencing depth. The pipeline will concatenate different runs FASTQ files of the same sample before performing profiling, when `--perform_runmerging` is supplied. Below is an example for the same sample sequenced across 3 lanes:
@@ -312,9 +308,6 @@ If `-profile` is not specified, the pipeline will run locally and expect all sof
 - `test`
   - A profile with a complete configuration for automated testing
   - Includes links to test data so needs no other parameters
-- `test_pep`
-  - A profile with a complete configuration for running a pipeline with PEP as input
-  - Includes links to test data so needs no other parameters
 - `docker`
   - A generic configuration profile to be used with [Docker](https://docker.com/)
 - `singularity`
diff --git a/lib/WorkflowMain.groovy b/lib/WorkflowMain.groovy
index 93d2af3..f0107fb 100755
--- a/lib/WorkflowMain.groovy
+++ b/lib/WorkflowMain.groovy
@@ -81,7 +81,7 @@ class WorkflowMain {
 
         // Check input has been provided
         if (!params.input) {
-            log.error "Please provide an input samplesheet or PEP to the pipeline e.g. '--input samplesheet.csv'"
+            log.error "Please provide an input samplesheet to the pipeline e.g. '--input samplesheet.csv'"
             System.exit(1)
         }
     }
diff --git a/modules.json b/modules.json
index 377e902..286ab88 100644
--- a/modules.json
+++ b/modules.json
@@ -55,16 +55,6 @@
                         "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
                         "installed_by": ["modules"]
                     },
-                    "eido/convert": {
-                        "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
-                        "installed_by": ["modules"]
-                    },
-                    "eido/validate": {
-                        "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
-                        "installed_by": ["modules"]
-                    },
                     "falco": {
                         "branch": "master",
                         "git_sha": "fc959214036403ad83efe7a41d43d0606c445cda",
diff --git a/modules/local/samplesheet_check.nf b/modules/local/samplesheet_check.nf
new file mode 100644
index 0000000..dea4362
--- /dev/null
+++ b/modules/local/samplesheet_check.nf
@@ -0,0 +1,27 @@
+process SAMPLESHEET_CHECK {
+    tag "$samplesheet"
+
+    conda (params.enable_conda ? "conda-forge::python=3.8.3" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/python:3.8.3' :
+        'quay.io/biocontainers/python:3.8.3' }"
+
+    input:
+    path samplesheet
+
+    output:
+    path '*.csv'       , emit: csv
+    path "versions.yml", emit: versions
+
+    script: // This script is bundled with the pipeline, in nf-core/taxprofiler/bin/
+    """
+    check_samplesheet.py \\
+        $samplesheet \\
+        samplesheet.valid.csv
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        python: \$(python --version | sed 's/Python //g')
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/eido/convert/main.nf b/modules/nf-core/eido/convert/main.nf
deleted file mode 100644
index 7ec4b8c..0000000
--- a/modules/nf-core/eido/convert/main.nf
+++ /dev/null
@@ -1,38 +0,0 @@
-process EIDO_CONVERT {
-    tag "$samplesheet"
-    label 'process_single'
-
-    conda (params.enable_conda ? "conda-forge::eido=0.1.9" : null)
-    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://containers.biocontainers.pro/s3/SingImgsRepo/eido/0.1.9_cv1/eido_0.1.9_cv1.sif' :
-        'biocontainers/eido:0.1.9_cv1' }"
-
-    input:
-    path samplesheet
-    val format
-    path pep_input_base_dir
-
-    output:
-    path "versions.yml"           , emit: versions
-    path "${prefix}.${format}"    , emit: samplesheet_converted
-
-    when:
-    task.ext.when == null || task.ext.when
-
-    script:
-    def args = task.ext.args ?: ''
-    prefix = task.ext.prefix ?: "samplesheet_converted"
-    """
-    eido \\
-        convert \\
-        -f $format \\
-        $samplesheet \\
-        $args \\
-        -p samples=${prefix}.${format}
-
-    cat <<-END_VERSIONS > versions.yml
-    "${task.process}":
-        eido: \$(echo \$(eido --version 2>&1) | sed 's/^.*eido //;s/ .*//' ))
-    END_VERSIONS
-    """
-}
diff --git a/modules/nf-core/eido/convert/meta.yml b/modules/nf-core/eido/convert/meta.yml
deleted file mode 100644
index bd12e03..0000000
--- a/modules/nf-core/eido/convert/meta.yml
+++ /dev/null
@@ -1,39 +0,0 @@
-name: "eido_convert"
-description: Convert any PEP project or Nextflow samplesheet to any format
-keywords:
-  - eido
-  - convert
-  - PEP
-  - format
-  - samplesheet
-tools:
-  - "eido":
-      description: "Convert any PEP project or Nextflow samplesheet to any format"
-      homepage: "http://eido.databio.org/en/latest/"
-      documentation: "http://eido.databio.org/en/latest/"
-      doi: "10.1093/gigascience/giab077"
-      licence: "BSD-2-Clause"
-
-input:
-  - samplesheet:
-      type: file
-      description: Nextflow samplesheet or PEP project
-      pattern: "*.{yaml,yml,csv}"
-  - format:
-      type: value
-      description: Extension of an output file
-  - pep_input_base_dir:
-      type: file
-      description: Optional path to the directory where files specified in a PEP config file are stored. Any paths specified in the config will need to be relative to this base directory.
-
-output:
-  - versions:
-      type: file
-      description: File containing software versions
-      pattern: "versions.yml"
-  - samplesheet_converted:
-      type: file
-      description: PEP project or samplesheet converted to csv file
-
-authors:
-  - "@rafalstepien"
diff --git a/modules/nf-core/eido/validate/main.nf b/modules/nf-core/eido/validate/main.nf
deleted file mode 100644
index 798d3a0..0000000
--- a/modules/nf-core/eido/validate/main.nf
+++ /dev/null
@@ -1,33 +0,0 @@
-process EIDO_VALIDATE {
-    tag "$samplesheet"
-    label 'process_single'
-
-    conda (params.enable_conda ? "conda-forge::eido=0.1.9" : null)
-    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://containers.biocontainers.pro/s3/SingImgsRepo/eido/0.1.9_cv2/eido_0.1.9_cv2.sif' :
-        'biocontainers/eido:0.1.9_cv2' }"
-
-    input:
-    path samplesheet
-    path schema
-    path pep_input_base_dir
-
-    output:
-    path "versions.yml"  , emit: versions
-    path "*.log"         , emit: log
-
-    when:
-    task.ext.when == null || task.ext.when
-
-    script:
-    def args   = task.ext.args   ?: ''
-    def prefix = task.ext.prefix ?: "validation"
-    """
-    eido validate $args $samplesheet -s $schema -e > ${prefix}.log
-
-    cat <<-END_VERSIONS > versions.yml
-    "${task.process}":
-        eido: \$(echo \$(eido --version 2>&1) | sed 's/^.*eido //;s/ .*//' ))
-    END_VERSIONS
-    """
-}
diff --git a/modules/nf-core/eido/validate/meta.yml b/modules/nf-core/eido/validate/meta.yml
deleted file mode 100644
index eb7b295..0000000
--- a/modules/nf-core/eido/validate/meta.yml
+++ /dev/null
@@ -1,41 +0,0 @@
-name: "eido_validate"
-description: Validate samplesheet or PEP config against a schema
-keywords:
-  - eido
-  - validate
-  - schema
-  - format
-  - pep
-tools:
-  - "validate":
-      description: "Validate samplesheet or PEP config against a schema."
-      homepage: "http://eido.databio.org/en/latest/"
-      documentation: "http://eido.databio.org/en/latest/"
-      doi: "10.1093/gigascience/giab077"
-      licence: "BSD-2-Clause"
-
-input:
-  - samplesheet:
-      type: file
-      description: Samplesheet or PEP file to be validated
-      pattern: "*.{yaml,yml,csv}"
-  - schema:
-      type: file
-      description: Schema that the samplesheet will be validated against
-      pattern: "*.{yaml,yml}"
-  - pep_input_base_dir:
-      type: file
-      description: Optional path to the directory where files specified in a PEP config file are stored. Any paths specified in the config will need to be relative to this base directory.
-
-output:
-  - versions:
-      type: file
-      description: File containing software versions
-      pattern: "versions.yml"
-  - log:
-      type: file
-      description: File containing validation log.
-      pattern: "*.log"
-
-authors:
-  - "@rafalstepien"
diff --git a/nextflow.config b/nextflow.config
index 6d5a374..088bcec 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -252,7 +252,6 @@ profiles {
     test_nothing            { includeConfig 'conf/test_nothing.config' }
     test_motus              { includeConfig 'conf/test_motus.config' }
     test_krakenuniq         { includeConfig 'conf/test_krakenuniq.config' }
-    test_pep                { includeConfig 'conf/test_pep.config' }
 }
 
 
diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index 46baff2..eb21b9d 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -2,41 +2,31 @@
 // Check input samplesheet and get read channels
 //
 
-include { EIDO_VALIDATE } from '../../modules/nf-core/eido/validate/main'
-include { EIDO_CONVERT } from '../../modules/nf-core/eido/convert/main'
+include { SAMPLESHEET_CHECK } from '../../modules/local/samplesheet_check'
 
 workflow INPUT_CHECK {
     take:
-    samplesheet_or_pep_config // file: /path/to/samplesheet.csv or /path/to/pep/config.yaml
-    pep_input_base_dir
+    samplesheet // file: /path/to/samplesheet.csv
 
     main:
-    ch_versions = Channel.empty()
-
-    EIDO_VALIDATE ( samplesheet_or_pep_config, file("$projectDir/assets/samplesheet_schema.yaml"), pep_input_base_dir )
-    ch_versions = ch_versions.mix(EIDO_VALIDATE.out.versions)
-
-    EIDO_CONVERT ( samplesheet_or_pep_config, "csv", pep_input_base_dir )
-    ch_versions = ch_versions.mix(EIDO_CONVERT.out.versions)
-
-    ch_parsed_samplesheet = EIDO_CONVERT.out.samplesheet_converted
+    parsed_samplesheet = SAMPLESHEET_CHECK ( samplesheet )
+        .csv
         .splitCsv ( header:true, sep:',' )
-        .map { check_missing_and_singleend_autodetect(it) }
         .branch {
             fasta: it['fasta'] != ''
             nanopore: it['instrument_platform'] == 'OXFORD_NANOPORE'
             fastq: true
         }
 
-    ch_parsed_samplesheet.fastq
+    parsed_samplesheet.fastq
         .map { create_fastq_channel(it) }
         .set { fastq }
 
-    ch_parsed_samplesheet.nanopore
+    parsed_samplesheet.nanopore
         .map { create_fastq_channel(it) }
         .set { nanopore }
 
-    ch_parsed_samplesheet.fasta
+    parsed_samplesheet.fasta
         .map { create_fasta_channel(it) }
         .set { fasta }
 
@@ -44,20 +34,7 @@ workflow INPUT_CHECK {
     fastq = fastq ?: []                       // channel: [ val(meta), [ reads ] ]
     nanopore = nanopore ?: []                 // channel: [ val(meta), [ reads ] ]
     fasta = fasta ?: []                       // channel: [ val(meta), fasta ]
-    versions = ch_versions                    // channel: [ versions.yml ]
-}
-
-// Function to validate input sheet and auto-detect R1/R2
-def check_missing_and_singleend_autodetect(LinkedHashMap row) {
-
-            // Checks not supported by EIDO(?)
-            if ( ( row['fastq_1'] != "" || row['fastq_2'] != "" ) && row['fasta'] != "" ) { exit 1, "[nf-core/taxprofiler] ERROR: FastQ and FastA files cannot be specified together in the same library. Check input samplesheet! Check sample: ${row['sample']}" }
-            if ( row['fastq_1'] == "" && row['fastq_2'] != "" )                            { exit 1, "[nf-core/taxprofiler] ERROR: Input samplesheet has a missing fastq_1 when fastq_2 is specified. Check sample: ${row['sample']}" }
-
-            single_end = row['fastq_2'] == "" ? true : false
-            row['single_end'] = single_end
-
-            return row
+    versions = SAMPLESHEET_CHECK.out.versions // channel: [ versions.yml ]
 }
 
 // Function to get list of [ meta, [ fastq_1, fastq_2 ] ]
@@ -87,12 +64,11 @@ def create_fastq_channel(LinkedHashMap row) {
             if (!file(row.fastq_2).exists()) {
                 exit 1, "ERROR: Please check input samplesheet -> Read 2 FastQ file does not exist!\n${row.fastq_2}"
             }
-            fastq_meta = [ meta, [ file(row.fastq_1), file(row.fastq_2) ] ]
+         fastq_meta = [ meta, [ file(row.fastq_1), file(row.fastq_2) ] ]
         }
 
     }
     return fastq_meta
-
 }// Function to get list of [ meta, fasta ]
 def create_fasta_channel(LinkedHashMap row) {
     def meta = [:]
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index c9f002c..73aa0ef 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -20,9 +20,8 @@ for (param in checkPathParamList) { if (param) { file(param, checkIfExists: true
 // Check mandatory parameters
 if ( params.input ) {
     ch_input              = file(params.input, checkIfExists: true)
-    pep_input_base_dir    = file(params.input).extension.matches("yaml|yml") ? file(file(params.input).getParent(), checkIfExists: true) :  []
 } else {
-    exit 1, "Input samplesheet, or PEP config and base directory not specified"
+    exit 1, "Input samplesheet not specified"
 }
 
 if (params.databases) { ch_databases = file(params.databases) } else { exit 1, 'Input database sheet not specified!' }
@@ -115,7 +114,7 @@ workflow TAXPROFILER {
         SUBWORKFLOW: Read in samplesheet, validate and stage input files
     */
     INPUT_CHECK (
-        ch_input, pep_input_base_dir
+        ch_input
     )
     ch_versions = ch_versions.mix(INPUT_CHECK.out.versions)
 

From 07bd989bc6f8e663c9e10b998101d8ed86dc5d5f Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 12 Dec 2022 10:02:22 +0100
Subject: [PATCH 526/789] Start work on groovy native datbase checks

---
 conf/modules.config             |  8 --------
 modules/local/database_check.nf | 29 ---------------------------
 subworkflows/local/db_check.nf  | 35 +++++++++++++++++++++++++++------
 workflows/taxprofiler.nf        |  2 +-
 4 files changed, 30 insertions(+), 44 deletions(-)
 delete mode 100644 modules/local/database_check.nf

diff --git a/conf/modules.config b/conf/modules.config
index dd85c0c..017e0c9 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -12,14 +12,6 @@
 
 process {
 
-    withName: DATABASE_CHECK {
-        publishDir = [
-            path: { "${params.outdir}/pipeline_info" },
-            mode: params.publish_dir_mode,
-            saveAs: { filename -> filename.equals('versions.yml') ? null : filename }
-        ]
-    }
-
     withName: FASTQC {
         ext.args = '--quiet'
         ext.prefix = { "${meta.id}_${meta.run_accession}_raw" }
diff --git a/modules/local/database_check.nf b/modules/local/database_check.nf
deleted file mode 100644
index ccf611c..0000000
--- a/modules/local/database_check.nf
+++ /dev/null
@@ -1,29 +0,0 @@
-process DATABASE_CHECK {
-    tag "$databasesheet"
-    label 'process_single'
-
-    conda (params.enable_conda ? "conda-forge::python=3.8.3" : null)
-    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/python:3.8.3' :
-        'quay.io/biocontainers/python:3.8.3' }"
-
-    input:
-    path databasesheet
-
-    output:
-    path '*.csv'       , emit: csv
-    path "versions.yml", emit: versions
-
-    when:
-    task.ext.when == null || task.ext.when
-
-    script: // This script is bundled with the pipeline, in nf-core/taxprofiler/bin/
-    """
-    cat $databasesheet >> database_sheet.valid.csv
-
-    cat <<-END_VERSIONS > versions.yml
-    "${task.process}":
-        python: \$(python --version | sed 's/Python //g')
-    END_VERSIONS
-    """
-}
diff --git a/subworkflows/local/db_check.nf b/subworkflows/local/db_check.nf
index 5d0c4eb..ce26905 100644
--- a/subworkflows/local/db_check.nf
+++ b/subworkflows/local/db_check.nf
@@ -2,7 +2,6 @@
 // Check input samplesheet and get read channels
 //
 
-include { DATABASE_CHECK   } from '../../modules/local/database_check'
 include { UNTAR            } from '../../modules/nf-core/untar/main'
 
 workflow DB_CHECK {
@@ -10,15 +9,18 @@ workflow DB_CHECK {
     dbsheet // file: /path/to/dbsheet.csv
 
     main:
+    ch_versions = Channel.empty()
 
     // TODO: make database sheet check
     // Checks:
     // 1) no duplicates,
-    // 2) args do not have quotes, e.g. just `,,` and NOT `,"",`
-    parsed_samplesheet = DATABASE_CHECK ( dbsheet )
-        .csv
+
+    parsed_samplesheet = Channel.fromPath(dbsheet)
         .splitCsv ( header:true, sep:',' )
-        .map { create_db_channels(it) }
+        .map {
+            validate_db_sheet(it)
+            create_db_channels(it)
+        }
 
     ch_dbs_for_untar = parsed_samplesheet
         .branch {
@@ -29,12 +31,31 @@ workflow DB_CHECK {
     // TODO Filter to only run UNTAR on DBs of tools actually using?
     // TODO make optional whether to save
     UNTAR ( ch_dbs_for_untar.untar )
+    ch_versions = ch_versions.mix(UNTAR.out.versions.first())
 
     ch_final_dbs = ch_dbs_for_untar.skip.mix( UNTAR.out.untar )
 
     emit:
     dbs = ch_final_dbs                        // channel: [ val(meta), [ db ] ]
-    versions = DATABASE_CHECK.out.versions.mix(UNTAR.out.versions.first()) // channel: [ versions.yml ]
+    versions = ch_versions                   // channel: [ versions.yml ]
+}
+
+def validate_db_sheet(LinkedHashMap row){
+
+        // check minimum number of columns
+        if (row.size() < 4) exit 1, "[nf-core/taxprofiler] error:  Invalid database input sheet - malformed row (e.g. missing column). See documentation for more information. Error in: ${row}, "
+
+        // all columns there
+        def expected_headers = ['tool', 'db_name', 'db_params', 'db_path']
+        if ( !row.keySet().containsAll(expected_headers) ) exit 1, "[nf-core/taxprofiler] error: Invalid database input sheet - malformed column names. Please check input TSV. Column names should be: ${expected_keys.join(", ")}"
+
+        // valid tools specified// TIFNISIH LIST
+        def expected_tools = [ "bracken", "centrifuge", "diamond", "kaiju",  "kraken2", "malt", "metaphlan3"  ]
+
+        // detect quotes in params
+        if ( row.db_params.contains('"') ) exit 1, "[nf-core/taxprofiler] error: Invalid database db_params entry. No quotes allowed. Error in: ${row}"
+        if ( row.db_params.contains("'") ) exit 1, "[nf-core/taxprofiler] error: Invalid database db_params entry. No quotes allowed. Error in: ${row}"
+
 }
 
 def create_db_channels(LinkedHashMap row) {
@@ -51,3 +72,5 @@ def create_db_channels(LinkedHashMap row) {
 
     return array
 }
+
+
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index c9f002c..7bcfc3a 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -25,7 +25,7 @@ if ( params.input ) {
     exit 1, "Input samplesheet, or PEP config and base directory not specified"
 }
 
-if (params.databases) { ch_databases = file(params.databases) } else { exit 1, 'Input database sheet not specified!' }
+if (params.databases) { ch_databases = file(params.databases, checkIfExists: true) } else { exit 1, 'Input database sheet not specified!' }
 
 if (params.shortread_qc_mergepairs && params.run_malt ) log.warn "[nf-core/taxprofiler] MALT does not accept uncollapsed paired-reads. Pairs will be profiled as separate files."
 if (params.shortread_qc_includeunmerged && !params.shortread_qc_mergepairs) exit 1, "ERROR: [nf-core/taxprofiler] cannot include unmerged reads when merging is not turned on. Please specify --shortread_qc_mergepairs"

From 3df0a383da88107a0cd34d6b8b3573a0a9a0fed4 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 12 Dec 2022 10:10:24 +0100
Subject: [PATCH 527/789] Update combine bracken outputs to include meta for
 publishing purposes

---
 conf/modules.config                                   |  4 ++--
 modules.json                                          |  2 +-
 modules/nf-core/bracken/combinebrackenoutputs/main.nf | 11 ++++++-----
 .../nf-core/bracken/combinebrackenoutputs/meta.yml    | 10 ++++++++++
 4 files changed, 19 insertions(+), 8 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index a8bf3e8..742992d 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -330,12 +330,12 @@ process {
         ]
     }
 
-    withName: KRAKENTOOLS_COMBINEKREPORTS {
+    withName: KRAKENTOOLS_COMBINEKREPORTS_KRAKEN {
         ext.prefix = { "kraken2_${meta.id}_combined_reports" }
         publishDir = [
             path: { "${params.outdir}/kraken2/" },
             mode: params.publish_dir_mode,
-            pattern: '*.{txt}'
+            pattern: '*.txt'
         ]
     }
 
diff --git a/modules.json b/modules.json
index 7815f5d..b46e88d 100644
--- a/modules.json
+++ b/modules.json
@@ -32,7 +32,7 @@
                     },
                     "bracken/combinebrackenoutputs": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "9c87d5fdad182590a370ea43a4ecebd200a6f6fb",
                         "installed_by": ["modules"]
                     },
                     "cat/fastq": {
diff --git a/modules/nf-core/bracken/combinebrackenoutputs/main.nf b/modules/nf-core/bracken/combinebrackenoutputs/main.nf
index 73b7148..977030c 100644
--- a/modules/nf-core/bracken/combinebrackenoutputs/main.nf
+++ b/modules/nf-core/bracken/combinebrackenoutputs/main.nf
@@ -1,4 +1,5 @@
 process BRACKEN_COMBINEBRACKENOUTPUTS {
+    tag "$meta.id"
     label 'process_low'
 
     conda (params.enable_conda ? "bioconda::bracken=2.7" : null)
@@ -7,18 +8,18 @@ process BRACKEN_COMBINEBRACKENOUTPUTS {
         'quay.io/biocontainers/bracken:2.7--py39hc16433a_0' }"
 
     input:
-    path input
+    tuple val(meta), path(input)
 
     output:
-    path "*.txt"       , emit: txt
-    path "versions.yml", emit: versions
+    tuple val(meta), path("*.txt"), emit: txt
+    path "versions.yml"           , emit: versions
 
     when:
     task.ext.when == null || task.ext.when
 
     script:
     def args = task.ext.args ?: ''
-    def prefix = task.ext.prefix ?: "bracken_combined.txt"
+    def prefix = task.ext.prefix ?: "${meta.id}"
     // WARN: Version information not provided by tool on CLI.
     // Please update version string below when bumping container versions.
     def VERSION = '2.7'
@@ -26,7 +27,7 @@ process BRACKEN_COMBINEBRACKENOUTPUTS {
     combine_bracken_outputs.py \\
         $args \\
         --files ${input} \\
-        -o ${prefix}
+        -o ${prefix}.txt
 
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":
diff --git a/modules/nf-core/bracken/combinebrackenoutputs/meta.yml b/modules/nf-core/bracken/combinebrackenoutputs/meta.yml
index c4a9712..9ad5385 100644
--- a/modules/nf-core/bracken/combinebrackenoutputs/meta.yml
+++ b/modules/nf-core/bracken/combinebrackenoutputs/meta.yml
@@ -12,12 +12,22 @@ tools:
       licence: ["GPL v3"]
 
 input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
   - input:
       type: file
       description: List of output files from bracken
       pattern: "*"
 
 output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
   - versions:
       type: file
       description: File containing software versions

From 460f3ca157bd618dde7dbc20f5c99bdd2bda731b Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 12 Dec 2022 11:03:40 +0100
Subject: [PATCH 528/789] Add database sheet validation

---
 subworkflows/local/db_check.nf  | 33 +++++++++++++++++++++------------
 subworkflows/local/profiling.nf | 10 +++++-----
 2 files changed, 26 insertions(+), 17 deletions(-)

diff --git a/subworkflows/local/db_check.nf b/subworkflows/local/db_check.nf
index ce26905..4ed786d 100644
--- a/subworkflows/local/db_check.nf
+++ b/subworkflows/local/db_check.nf
@@ -11,14 +11,22 @@ workflow DB_CHECK {
     main:
     ch_versions = Channel.empty()
 
-    // TODO: make database sheet check
-    // Checks:
-    // 1) no duplicates,
-
+    // special check to check _between_ rows, for which we must group rows together
+    Channel.fromPath(dbsheet)
+            .splitCsv ( header:true, sep:',' )
+            .map {[it.tool, it.db_name] }
+            .groupTuple()
+            .map {
+                tool, db_name ->
+                    def unique_names = db_name.unique(false)
+                    if ( unique_names.size() < db_name.size() ) exit 1, "[nf-core/taxprofiler] ERROR: Each database for a tool must have a unique name, duplicated detected. Tool: ${tool}, Database name: ${unique_names}"
+            }
+
+    // normal checks for within-row validity, so can be moved to separate functions
     parsed_samplesheet = Channel.fromPath(dbsheet)
         .splitCsv ( header:true, sep:',' )
         .map {
-            validate_db_sheet(it)
+            validate_db_rows(it)
             create_db_channels(it)
         }
 
@@ -40,21 +48,22 @@ workflow DB_CHECK {
     versions = ch_versions                   // channel: [ versions.yml ]
 }
 
-def validate_db_sheet(LinkedHashMap row){
+def validate_db_rows(LinkedHashMap row){
 
         // check minimum number of columns
-        if (row.size() < 4) exit 1, "[nf-core/taxprofiler] error:  Invalid database input sheet - malformed row (e.g. missing column). See documentation for more information. Error in: ${row}, "
+        if (row.size() < 4) exit 1, "[nf-core/taxprofiler] ERROR: Invalid database input sheet - malformed row (e.g. missing column). See documentation for more information. Error in: ${row}"
 
         // all columns there
         def expected_headers = ['tool', 'db_name', 'db_params', 'db_path']
-        if ( !row.keySet().containsAll(expected_headers) ) exit 1, "[nf-core/taxprofiler] error: Invalid database input sheet - malformed column names. Please check input TSV. Column names should be: ${expected_keys.join(", ")}"
+        if ( !row.keySet().containsAll(expected_headers) ) exit 1, "[nf-core/taxprofiler] ERROR: Invalid database input sheet - malformed column names. Please check input TSV. Column names should be: ${expected_keys.join(", ")}"
 
         // valid tools specified// TIFNISIH LIST
-        def expected_tools = [ "bracken", "centrifuge", "diamond", "kaiju",  "kraken2", "malt", "metaphlan3"  ]
+        def expected_tools = [ "bracken", "centrifuge", "diamond", "kaiju",  "kraken2", "krakenuniq", "malt", "metaphlan3", "motus" ]
+        if ( !expected_tools.contains(row.tool) ) exit 1, "[nf-core/taxprofiler] ERROR: Invalid tool name. Please see documentation for all supported profilers. Error in: ${row}"
 
         // detect quotes in params
-        if ( row.db_params.contains('"') ) exit 1, "[nf-core/taxprofiler] error: Invalid database db_params entry. No quotes allowed. Error in: ${row}"
-        if ( row.db_params.contains("'") ) exit 1, "[nf-core/taxprofiler] error: Invalid database db_params entry. No quotes allowed. Error in: ${row}"
+        if ( row.db_params.contains('"') ) exit 1, "[nf-core/taxprofiler] ERROR: Invalid database db_params entry. No quotes allowed. Error in: ${row}"
+        if ( row.db_params.contains("'") ) exit 1, "[nf-core/taxprofiler] ERROR: Invalid database db_params entry. No quotes allowed. Error in: ${row}"
 
 }
 
@@ -66,7 +75,7 @@ def create_db_channels(LinkedHashMap row) {
 
     def array = []
     if (!file(row.db_path, type: 'dir').exists()) {
-        exit 1, "ERROR: Please check input samplesheet -> database could not be found!\n${row.db_path}"
+        exit 1, "ERROR: Please check input samplesheet -> database path could not be found!\n${row.db_path}"
     }
     array = [ meta, file(row.db_path) ]
 
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index f5c970c..6613648 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -41,14 +41,14 @@ workflow PROFILING {
             }
             .combine(databases)
             .branch {
-                malt:    it[2]['tool'] == 'malt'
-                kraken2: it[2]['tool'] == 'kraken2' || it[2]['tool'] == 'bracken' // to reuse the kraken module to produce the input data for bracken
-                metaphlan3: it[2]['tool'] == 'metaphlan3'
                 centrifuge: it[2]['tool'] == 'centrifuge'
-                kaiju: it[2]['tool'] == 'kaiju'
                 diamond: it[2]['tool'] == 'diamond'
-                motus: it[2]['tool'] == 'motus'
+                kaiju: it[2]['tool'] == 'kaiju'
+                kraken2: it[2]['tool'] == 'kraken2' || it[2]['tool'] == 'bracken' // to reuse the kraken module to produce the input data for bracken
                 krakenuniq: it[2]['tool'] == 'krakenuniq'
+                malt:    it[2]['tool'] == 'malt'
+                metaphlan3: it[2]['tool'] == 'metaphlan3'
+                motus: it[2]['tool'] == 'motus'
                 unknown: true
             }
 

From 7c66968fef7ec7bd2ca44e5cb1571814817acf16 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 12 Dec 2022 11:04:21 +0100
Subject: [PATCH 529/789] More comments

---
 subworkflows/local/db_check.nf | 1 +
 1 file changed, 1 insertion(+)

diff --git a/subworkflows/local/db_check.nf b/subworkflows/local/db_check.nf
index 4ed786d..14078d9 100644
--- a/subworkflows/local/db_check.nf
+++ b/subworkflows/local/db_check.nf
@@ -12,6 +12,7 @@ workflow DB_CHECK {
     ch_versions = Channel.empty()
 
     // special check to check _between_ rows, for which we must group rows together
+    // note: this will run in parallel to within-row validity, but we can assume this will run faster thus will fail first
     Channel.fromPath(dbsheet)
             .splitCsv ( header:true, sep:',' )
             .map {[it.tool, it.db_name] }

From 896a39e68dffdebee06cfd698f231773fade76b0 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Mon, 12 Dec 2022 13:19:59 +0100
Subject: [PATCH 530/789] Apply review suggestions

---
 docs/usage.md | 58 ++++++++++++++++++++++++++++++++++++++++-----------
 1 file changed, 46 insertions(+), 12 deletions(-)

diff --git a/docs/usage.md b/docs/usage.md
index d17d168..88fbf10 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -162,6 +162,7 @@ Expected (uncompressed) database files for each tool are as follows:
   with same release version of the mOTUs tools. The database for same version tools
   can be thus reused for multiple runs. Users can download the database once using the script above and
   specify the path the database to the TSV table provided to `--databases`.
+- **KrakenUniq** WIP
 
 ## Running the pipeline
 
@@ -184,7 +185,7 @@ work                # Directory containing the nextflow working files
 
 ### Sequencing quality control
 
-nf-core taxprofiler offers [`falco`](https://github.com/smithlabcode/falco) as an alternative option to [`FastQC`](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/).
+[`FastQC`](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/) gives general quality metrics about your reads. It provides information about the quality score distribution across your reads, per base sequence content (%A/T/G/C), adapter contamination and overrepresented sequences. nf-core taxprofiler offers [`falco`](https://github.com/smithlabcode/falco) as an alternative option.
 
 ### Preprocessing Steps
 
@@ -226,7 +227,7 @@ The tools offer different algorithms and parameters for removing low complexity
 
 You can optionally save the FASTQ output of the run merging with the `--save_complexityfiltered_reads`. If running with `fastp`, complexity filtering happens inclusively within the earlier shortread preprocessing step. Therefore there will not be an independent pipeline step for complexity filtering, and no independent FASTQ file (i.e. `--save_complexityfiltered_reads` will be ignored) - your complexity filtered reads will also be in the `fastp/` folder in the same file(s) as the preprocessed read.
 
-**We do not any read preprocessing or complexity filtering if you are using ONTs Guppy toolkit for basecalling and post-processing.**
+**We do not recommend performing any read preprocessing or complexity filtering if you are using ONTs Guppy toolkit for basecalling and post-processing.**
 
 #### Host Removal
 
@@ -484,19 +485,56 @@ NXF_OPTS='-Xms1g -Xmx4g'
 ### Tutorial - How to create your custom database
 
 #### Kraken2
+Kraken2 allows the user to build custom databases.
+
+To install a taxonomy:
+
+```bash
+kraken2-build --download-taxonomy --db $DBNAME
+```
+
+To install one or more reference libraries:
+
+```bash
+--download-library bacteria --db $DBNAME
+--download-library viral --db $DBNAME
+--download-library archaea --db $DBNAME
+```
+
+To add more genomes:
+
+```bash
+kraken2-build --add-to-library genome.fa --db $DBNAME
+```
+
+You can follow Kraken2 [tutorial](https://github.com/DerrickWood/kraken2/blob/master/docs/MANUAL.markdown#custom-databases) for a more detailed description.
 
-Kraken2 allows the user to build custom databases. You can follow Kraken2 [tutorial](https://github.com/DerrickWood/kraken2/blob/master/docs/MANUAL.markdown#custom-databases).
 
 #### Centrifuge
+Centrifuge allows the user to [build custom databases](https://ccb.jhu.edu/software/centrifuge/manual.shtml#custom-database). The user should download taxonomy files, make custom `seqid2taxid.map` and combine the fasta files together.
 
-Centrifuge allows the user to [build custom databases](https://ccb.jhu.edu/software/centrifuge/manual.shtml#custom-database).
+```bash
+centrifuge-download -o taxonomy taxonomy
 
-#### Kaiju
+## custom seqid2taxid.map
+NC_001133.9    4392
+NC_012920.1    9606
+NC_001134.8    4392
+NC_001135.5    4392
+
+cat *.{fa,fna} > input-sequences.fna
+centrifuge-build -p 4 --conversion-table seqid2taxid.map --taxonomy-tree taxonomy/nodes.dmp --name-table taxonomy/names.dmp input-sequences.fna taxprofiler_cf
+```
 
+#### Kaiju
 It is possible to [create custom databases](https://github.com/bioinformatics-centre/kaiju#custom-database) with Kaiju.
 
-#### MALT
+```bash
+kaiju-mkbwt -n 5 -a ACDEFGHIKLMNPQRSTVWY -o proteins proteins.faa
+kaiju-mkfmi proteins
+```
 
+#### MALT
 To create a custom database for MALT, the user should download and unzip the following database which lists all NCBI records. The input files are specified using -i and the index is specified using -d. A detailed description for each argument can be found [here](https://software-ab.informatik.uni-tuebingen.de/download/malt/manual.pdf)
 
 ```bash
@@ -506,16 +544,13 @@ malt-build -i path/to/fasta/files/*.{fna,fa} -s DNA -d index -t 8 -st 4 -a2t meg
 ```
 
 #### Bracken
-
 You can follow Bracken [tutorial](https://ccb.jhu.edu/software/bracken/index.shtml?t=manual) to build a custom database. Alternatively, you can use one of the indexes that can be found [here](https://benlangmead.github.io/aws-indexes/k2).
 
 #### KrakenUniq
-
-For KrakenUniq, we recommend using one of the available databases [here](https://benlangmead.github.io/aws-indexes/k2)
+For KrakenUniq, we recommend using one of the available databases [here](https://benlangmead.github.io/aws-indexes/k2). But if you wish to build your own, please see the [documentation](https://github.com/fbreitwieser/krakenuniq/blob/master/README.md#custom-databases-with-ncbi-taxonomy).
 
 #### DIAMOND
-
-To create a custom database for DIAMOND, the user should download and unzip the NCBI's taxonomy files. The `makedb` needs to be executed afterwards. A detailed description can be found [here](https://gensoft.pasteur.fr/docs/diamond/0.8.22/diamond_manual.pdf)
+To create a custom database for DIAMOND, the user should download and unzip the NCBI's taxonomy files. The `makedb` needs to be executed afterwards. A detailed description can be found [here](https://github.com/bbuchfink/diamond/wiki/1.-Tutorial)
 
 ```bash
 wget ftp://ftp.ncbi.nlm.nih.gov/pub/taxonomy/taxdmp.zip
@@ -531,7 +566,6 @@ rm *dmp *txt *gz *prt *zip
 ```
 
 #### mOTUs
-
 A detailed description on how to download mOTUs database can be found [here](https://github.com/motu-tool/mOTUs)
 
 ## Troubleshooting and FAQs

From bd5cd0a89710dbcb80133baa54c071a5d8583e49 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Mon, 12 Dec 2022 13:34:53 +0100
Subject: [PATCH 531/789] Prettier

---
 docs/usage.md | 9 ++++++++-
 1 file changed, 8 insertions(+), 1 deletion(-)

diff --git a/docs/usage.md b/docs/usage.md
index 88fbf10..defef04 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -485,6 +485,7 @@ NXF_OPTS='-Xms1g -Xmx4g'
 ### Tutorial - How to create your custom database
 
 #### Kraken2
+
 Kraken2 allows the user to build custom databases.
 
 To install a taxonomy:
@@ -509,8 +510,8 @@ kraken2-build --add-to-library genome.fa --db $DBNAME
 
 You can follow Kraken2 [tutorial](https://github.com/DerrickWood/kraken2/blob/master/docs/MANUAL.markdown#custom-databases) for a more detailed description.
 
-
 #### Centrifuge
+
 Centrifuge allows the user to [build custom databases](https://ccb.jhu.edu/software/centrifuge/manual.shtml#custom-database). The user should download taxonomy files, make custom `seqid2taxid.map` and combine the fasta files together.
 
 ```bash
@@ -527,6 +528,7 @@ centrifuge-build -p 4 --conversion-table seqid2taxid.map --taxonomy-tree taxonom
 ```
 
 #### Kaiju
+
 It is possible to [create custom databases](https://github.com/bioinformatics-centre/kaiju#custom-database) with Kaiju.
 
 ```bash
@@ -535,6 +537,7 @@ kaiju-mkfmi proteins
 ```
 
 #### MALT
+
 To create a custom database for MALT, the user should download and unzip the following database which lists all NCBI records. The input files are specified using -i and the index is specified using -d. A detailed description for each argument can be found [here](https://software-ab.informatik.uni-tuebingen.de/download/malt/manual.pdf)
 
 ```bash
@@ -544,12 +547,15 @@ malt-build -i path/to/fasta/files/*.{fna,fa} -s DNA -d index -t 8 -st 4 -a2t meg
 ```
 
 #### Bracken
+
 You can follow Bracken [tutorial](https://ccb.jhu.edu/software/bracken/index.shtml?t=manual) to build a custom database. Alternatively, you can use one of the indexes that can be found [here](https://benlangmead.github.io/aws-indexes/k2).
 
 #### KrakenUniq
+
 For KrakenUniq, we recommend using one of the available databases [here](https://benlangmead.github.io/aws-indexes/k2). But if you wish to build your own, please see the [documentation](https://github.com/fbreitwieser/krakenuniq/blob/master/README.md#custom-databases-with-ncbi-taxonomy).
 
 #### DIAMOND
+
 To create a custom database for DIAMOND, the user should download and unzip the NCBI's taxonomy files. The `makedb` needs to be executed afterwards. A detailed description can be found [here](https://github.com/bbuchfink/diamond/wiki/1.-Tutorial)
 
 ```bash
@@ -566,6 +572,7 @@ rm *dmp *txt *gz *prt *zip
 ```
 
 #### mOTUs
+
 A detailed description on how to download mOTUs database can be found [here](https://github.com/motu-tool/mOTUs)
 
 ## Troubleshooting and FAQs

From e31e7d31725cf035a51f3e796c0e52ff62b32704 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 12 Dec 2022 15:42:01 +0100
Subject: [PATCH 532/789] Update mOTUs to 3.0.3

---
 modules.json                           | 4 ++--
 modules/nf-core/motus/merge/main.nf    | 8 +++-----
 modules/nf-core/motus/merge/meta.yml   | 2 +-
 modules/nf-core/motus/profile/main.nf  | 6 +++---
 modules/nf-core/motus/profile/meta.yml | 2 +-
 5 files changed, 10 insertions(+), 12 deletions(-)

diff --git a/modules.json b/modules.json
index b46e88d..a3017f7 100644
--- a/modules.json
+++ b/modules.json
@@ -172,12 +172,12 @@
                     },
                     "motus/merge": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "3fce766123e71e82fb384db7d07b59180baa9ee9",
                         "installed_by": ["modules"]
                     },
                     "motus/profile": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "3fce766123e71e82fb384db7d07b59180baa9ee9",
                         "installed_by": ["modules"]
                     },
                     "multiqc": {
diff --git a/modules/nf-core/motus/merge/main.nf b/modules/nf-core/motus/merge/main.nf
index d9f091e..5041cf0 100644
--- a/modules/nf-core/motus/merge/main.nf
+++ b/modules/nf-core/motus/merge/main.nf
@@ -1,13 +1,11 @@
-VERSION = '3.0.1'
-
 process MOTUS_MERGE {
     tag "$meta.id"
     label 'process_single'
 
-    conda (params.enable_conda ? "bioconda::motus=3.0.1" : null)
+    conda (params.enable_conda ? "bioconda::motus=3.0.3" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/motus:3.0.1--pyhdfd78af_0':
-        'quay.io/biocontainers/motus:3.0.1--pyhdfd78af_0' }"
+        'https://depot.galaxyproject.org/singularity/motus:3.0.3--pyhdfd78af_0':
+        'quay.io/biocontainers/motus:3.0.3--pyhdfd78af_0' }"
 
     input:
     tuple val(meta), path(input)
diff --git a/modules/nf-core/motus/merge/meta.yml b/modules/nf-core/motus/merge/meta.yml
index 02d11d0..24ae939 100644
--- a/modules/nf-core/motus/merge/meta.yml
+++ b/modules/nf-core/motus/merge/meta.yml
@@ -14,7 +14,7 @@ tools:
       homepage: "https://motu-tool.org/"
       documentation: "https://github.com/motu-tool/mOTUs/wiki"
       tool_dev_url: "https://github.com/motu-tool/mOTUs"
-      doi: "10.1038/s41467-019-08844-4"
+      doi: "10.1186/s40168-022-01410-z"
       licence: "['GPL v3']"
 
 input:
diff --git a/modules/nf-core/motus/profile/main.nf b/modules/nf-core/motus/profile/main.nf
index bd7a127..8a76250 100644
--- a/modules/nf-core/motus/profile/main.nf
+++ b/modules/nf-core/motus/profile/main.nf
@@ -2,10 +2,10 @@ process MOTUS_PROFILE {
     tag "$meta.id"
     label 'process_medium'
 
-    conda (params.enable_conda ? "bioconda::motus=3.0.1" : null)
+    conda (params.enable_conda ? "bioconda::motus=3.0.3" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/motus:3.0.1--pyhdfd78af_0':
-        'quay.io/biocontainers/motus:3.0.1--pyhdfd78af_0' }"
+        'https://depot.galaxyproject.org/singularity/motus:3.0.3--pyhdfd78af_0':
+        'quay.io/biocontainers/motus:3.0.3--pyhdfd78af_0' }"
 
     input:
     tuple val(meta), path(reads)
diff --git a/modules/nf-core/motus/profile/meta.yml b/modules/nf-core/motus/profile/meta.yml
index 3c3b660..1202042 100644
--- a/modules/nf-core/motus/profile/meta.yml
+++ b/modules/nf-core/motus/profile/meta.yml
@@ -11,7 +11,7 @@ tools:
       homepage: "https://motu-tool.org/"
       documentation: "https://github.com/motu-tool/mOTUs/wiki"
       tool_dev_url: "https://github.com/motu-tool/mOTUs"
-      doi: "10.1038/s41467-019-08844-4"
+      doi: "10.1186/s40168-022-01410-z"
       licence: "['GPL v3']"
 
 input:

From a99f89af7758143c26c788dc46a336d2e48059f1 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Mon, 12 Dec 2022 16:30:28 +0100
Subject: [PATCH 533/789] Apply review suggestions

---
 docs/usage.md | 50 +++++++++++++++++++++++++++++++++++---------------
 1 file changed, 35 insertions(+), 15 deletions(-)

diff --git a/docs/usage.md b/docs/usage.md
index defef04..f52e0ea 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -227,7 +227,7 @@ The tools offer different algorithms and parameters for removing low complexity
 
 You can optionally save the FASTQ output of the run merging with the `--save_complexityfiltered_reads`. If running with `fastp`, complexity filtering happens inclusively within the earlier shortread preprocessing step. Therefore there will not be an independent pipeline step for complexity filtering, and no independent FASTQ file (i.e. `--save_complexityfiltered_reads` will be ignored) - your complexity filtered reads will also be in the `fastp/` folder in the same file(s) as the preprocessed read.
 
-**We do not recommend performing any read preprocessing or complexity filtering if you are using ONTs Guppy toolkit for basecalling and post-processing.**
+> ⚠️ For nanopore data: we do not recommend performing any read preprocessing or complexity filtering if you are using ONTs Guppy toolkit for basecalling and post-processing.
 
 #### Host Removal
 
@@ -484,31 +484,43 @@ NXF_OPTS='-Xms1g -Xmx4g'
 
 ### Tutorial - How to create your custom database
 
+Here we will give brief guidance on how to build databases for each supported taxonomic profiler. You should always consult the documentation of each toolfor more information, how we provide these as quick reference guides.
+The following tutorial assumes you already have the tool available (e.g. installed locally, or via conda, docker etc.), and you have already downloaded the FASTA files you wish to build into a database.
+
 #### Kraken2
 
-Kraken2 allows the user to build custom databases.
+> These are instructions are based on Kraken 2.1.2
+> To build a Kraken2 database you need two components: a taxonomy (consisting of `names.dmp`, `nodes.dmp`, and `*accession2taxid`) files, and the FASTA files you wish to include.
+> To install pull the NCBI taxonomy you can run the following:
 
-To install a taxonomy:
+```bash
+kraken2-build --download-taxonomy --db <YOUR_DB_NAME>
+```
+
+You can then add your FASTA files with the following build command.
 
 ```bash
-kraken2-build --download-taxonomy --db $DBNAME
+kraken2-build --add-to-library *.fna --db <YOUR_DB_NAME>
 ```
 
-To install one or more reference libraries:
+You can repeat this step multiple times to iteratively add more genomes prior building.
+
+You can also automatical download and add 'standard' libraries provided by Kraken2 (e.g. bacteria on RefSeq)
 
 ```bash
---download-library bacteria --db $DBNAME
---download-library viral --db $DBNAME
---download-library archaea --db $DBNAME
+kraken2-build --download-library bacteria --db <YOUR_DB_NAME>
 ```
 
-To add more genomes:
+Once all genomes are added to the library, you can build the database (and optionally clean it up):
 
 ```bash
-kraken2-build --add-to-library genome.fa --db $DBNAME
+kraken2-build --build --db <YOUR_DB_NAME>
+kraken2-build --clean--db <YOUR_DB_NAME>
 ```
 
-You can follow Kraken2 [tutorial](https://github.com/DerrickWood/kraken2/blob/master/docs/MANUAL.markdown#custom-databases) for a more detailed description.
+You can then add the <YOUR_DB_NAME>/ path to your nf-core/taxprofiler database input sheet.
+
+You can follow the Kraken2 [tutorial](https://github.com/DerrickWood/kraken2/blob/master/docs/MANUAL.markdown#custom-databases) for a more detailed description.
 
 #### Centrifuge
 
@@ -538,14 +550,22 @@ kaiju-mkfmi proteins
 
 #### MALT
 
-To create a custom database for MALT, the user should download and unzip the following database which lists all NCBI records. The input files are specified using -i and the index is specified using -d. A detailed description for each argument can be found [here](https://software-ab.informatik.uni-tuebingen.de/download/malt/manual.pdf)
+MALT does not provide any default databases for profiling, therefore you must build your own.
+You need FASTA files to include, and an (unzipped) [MEGAN mapping 'db' file](https://software-ab.informatik.uni-tuebingen.de/download/megan6/) for your FASTA type.
+In addition to the input directory, output directory, and the mapping file database, you also need to specify the sequence type (DNA or Protein) with the `-s` flag.
 
 ```bash
-wget https://software-ab.informatik.uni-tuebingen.de/download/megan6/megan-nucl-Feb2022.db.zip
-unzip megan-nucl-Feb2022.db
-malt-build -i path/to/fasta/files/*.{fna,fa} -s DNA -d index -t 8 -st 4 -a2t megan-nucl-Feb2022.db
+malt-build -i <path>/<to>/<fasta>/*.{fna,fa,fasta} -a2t <path>/<to>/<map>.db -d <YOUR_DB_NAME>/  -s DNA
 ```
 
+You can then add the <YOUR_DB_NAME>/ path to your nf-core/taxprofiler database input sheet.
+
+⚠️ MALT generates very large database files and requires large amounts of RAM. You can reduce both by increasing the step size `-st` (with a reduction in sensitivity).
+
+MALT-build can be multi-threaded with `-t` to speed up building.
+
+See the [MALT manual](https://software-ab.informatik.uni-tuebingen.de/download/malt/manual.pdf) for more information.
+
 #### Bracken
 
 You can follow Bracken [tutorial](https://ccb.jhu.edu/software/bracken/index.shtml?t=manual) to build a custom database. Alternatively, you can use one of the indexes that can be found [here](https://benlangmead.github.io/aws-indexes/k2).

From b1eb477f338037ca432276a9cfa816f59ddb0f37 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Mon, 12 Dec 2022 17:06:05 +0100
Subject: [PATCH 534/789] Update output.md

---
 docs/output.md | 60 ++++++++++++++++++++++++++++++++++++++++----------
 1 file changed, 48 insertions(+), 12 deletions(-)

diff --git a/docs/output.md b/docs/output.md
index dd82e1f..fe80761 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -23,10 +23,13 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d
 - [Bowtie2](#bowtie2) - Host removal for Illumina reads
 - [minimap2](#minimap2) - Host removal for Nanopore reads
 - [samtoolsstats](#samtoolsstats) - Statistics from host removal
-- [cat] - **WIP**
 - [Kraken2](#kraken2) - Taxonomic classifier using exact k-mer matches
 - [KrakenUniq](#krakenuniq) - Taxonomic classifier that combines the k-mer-based classification and the number of unique k-mers found in each species
 - [Bracken](#bracken) -
+- [Centrifuge](#centrifuge) - Taxonomic classifier that uses a novel indexing scheme based on the Burrows-Wheeler transform (BWT) and the Ferragina-Manzini (FM) index.
+- [Kaiju](#kaiju) - Taxonomic classifier that finds maximum (in-)exact matches on the protein-level.
+- [Diamond](#diamond) - Sequence aligner for protein and translated DNA searches.
+- [mOTUs](#motus) - Tool for marker gene-based OTU (mOTU) profiling.
 - [MultiQC](#multiqc) - Aggregate report describing results and QC from the whole pipeline
 - [Pipeline information](#pipeline-information) - Report metrics generated during the workflow execution
 
@@ -145,15 +148,6 @@ fastp can automatically detect adapter sequences for Illumina data.
 
 </details>
 
-### cat
-
-<details markdown="1">
-<summary>Output files</summary>
-
-- `cat`
-
-</details>
-
 ### Kraken2
 
 <details markdown="1">
@@ -182,9 +176,51 @@ fastp can automatically detect adapter sequences for Illumina data.
 
 </details>
 
+### Centrifuge
+
+<details markdown="1">
+<summary>Output files</summary>
+
+- `centrifuge`
+  - `<sample_id>.centrifuge.mapped.fastq.gz`
+  - `<sample_id>.centrifuge.report.txt`
+  - `<sample_id>.centrifuge.results.txt`
+  - `<sample_id>.centrifuge.unmapped.fastq.gz`
+
+</details>
+
+### Kaiju
+
+<details markdown="1">
+<summary>Output files</summary>
+
+- `kaiju`
+  - `<sample_id>.tsv`
+
+</details>
+
+### Diamond
+
+<details markdown="1">
+<summary>Output files</summary>
+
+- `diamond`
+  - `<sample_id>.log`
+  - `<sample_id>.sam`
+
+</details>
+
+### mOTUs
+
+<details markdown="1">
+<summary>Output files</summary>
+
+- `motus`
+  - `<sample_id>.log`
+  - `<sample_id>.out`
+
+</details>
 
-=======
->>>>>>> 6d0b5d0a58d92fabfc239818f272bb06cfeb1e66
 ### MultiQC
 
 <details markdown="1">

From 4756dc7f0d845cf783858fa18805a3c0f4616610 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Mon, 12 Dec 2022 17:14:57 +0100
Subject: [PATCH 535/789] Update output.md

---
 docs/output.md | 1 -
 1 file changed, 1 deletion(-)

diff --git a/docs/output.md b/docs/output.md
index fe80761..e194d4d 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -115,7 +115,6 @@ fastp can automatically detect adapter sequences for Illumina data.
 
 </details>
 
-<<<<<<< HEAD
 ### Bowtie2
 
 <details markdown="1">

From 97e48075c8926922a322c7c072ca680d3961326d Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Tue, 13 Dec 2022 09:37:43 +0100
Subject: [PATCH 536/789] Apply review suggestion

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 docs/usage.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/usage.md b/docs/usage.md
index f52e0ea..6c1214d 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -185,7 +185,7 @@ work                # Directory containing the nextflow working files
 
 ### Sequencing quality control
 
-[`FastQC`](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/) gives general quality metrics about your reads. It provides information about the quality score distribution across your reads, per base sequence content (%A/T/G/C), adapter contamination and overrepresented sequences. nf-core taxprofiler offers [`falco`](https://github.com/smithlabcode/falco) as an alternative option.
+[`FastQC`](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/) gives general quality metrics about your reads. It provides information about the quality score distribution across your reads, per base sequence content (%A/T/G/C), adapter contamination and overrepresented sequences. nf-core taxprofiler offers [`falco`](https://github.com/smithlabcode/falco) as an drop-in replacement, with supposedly better improvement particularly for long reads.
 
 ### Preprocessing Steps
 

From 1eb3da758b04893fbe2199d8873cad461fc6308b Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Tue, 13 Dec 2022 09:38:09 +0100
Subject: [PATCH 537/789] Apply review suggestion

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 docs/usage.md | 6 +++++-
 1 file changed, 5 insertions(+), 1 deletion(-)

diff --git a/docs/usage.md b/docs/usage.md
index 6c1214d..c45d828 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -568,8 +568,12 @@ See the [MALT manual](https://software-ab.informatik.uni-tuebingen.de/download/m
 
 #### Bracken
 
-You can follow Bracken [tutorial](https://ccb.jhu.edu/software/bracken/index.shtml?t=manual) to build a custom database. Alternatively, you can use one of the indexes that can be found [here](https://benlangmead.github.io/aws-indexes/k2).
+Bracken does not provide any default databases for profiling, but rather building upon Kraken2 databases. See [Kraken2](#kraken2) for more information on how to build these.
 
+In addition to a Kraken2 database, you also need to have the (average) read lengths (in bp) of your sequencing experiment, the K-mer size used to build the Kraken2 database, and Kraken2 available on your machine.
+
+```bash
+bracken-build -d <KRAKEN_DB_DIR> -k <KRAKEN_DB_KMER_LENGTH> -l <READLENGTH>
 #### KrakenUniq
 
 For KrakenUniq, we recommend using one of the available databases [here](https://benlangmead.github.io/aws-indexes/k2). But if you wish to build your own, please see the [documentation](https://github.com/fbreitwieser/krakenuniq/blob/master/README.md#custom-databases-with-ncbi-taxonomy).

From f80adee9e2d1ff4931dcc368890ff7a9d250c2eb Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Tue, 13 Dec 2022 09:50:05 +0100
Subject: [PATCH 538/789] Review suggestions and prettier

---
 docs/usage.md | 10 ++++++++++
 1 file changed, 10 insertions(+)

diff --git a/docs/usage.md b/docs/usage.md
index c45d828..44d385a 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -174,6 +174,8 @@ nextflow run nf-core/taxprofiler --input samplesheet.csv --databases databases.c
 
 This will launch the pipeline with the `docker` configuration profile. See below for more information about profiles.
 
+When running nf-core/taxprofiler, every step and tool is 'opt in'. To run a given profiler you must make sure to supply both a database in your `<database>.csv` and supply `--run_<profiler>` flag to your command. Omitting either will result in the profiling tool not executing. If you wish to perform pre-processing (adapter clipping, merge running etc.) or post-processing (visualisation) steps, these are also opt in `--perform_<step>` and in some cases may also require additional files. Please check the parameters tab of this documentation for more information.
+
 Note that the pipeline will create the following files in your working directory:
 
 ```bash
@@ -574,6 +576,14 @@ In addition to a Kraken2 database, you also need to have the (average) read leng
 
 ```bash
 bracken-build -d <KRAKEN_DB_DIR> -k <KRAKEN_DB_KMER_LENGTH> -l <READLENGTH>
+```
+
+> 🛈 You can speed up database construction by supplying the threads parameter (`-t`).
+
+> 🛈 If you do not have Kraken2 in your `$PATH` you can point to the binary with `-x /<path>/<to>/kraken2`.
+
+You can follow Bracken [tutorial](https://ccb.jhu.edu/software/bracken/index.shtml?t=manual) for more information. Alternatively, you can use one of the indexes that can be found [here](https://benlangmead.github.io/aws-indexes/k2).
+
 #### KrakenUniq
 
 For KrakenUniq, we recommend using one of the available databases [here](https://benlangmead.github.io/aws-indexes/k2). But if you wish to build your own, please see the [documentation](https://github.com/fbreitwieser/krakenuniq/blob/master/README.md#custom-databases-with-ncbi-taxonomy).

From d99706f43d2df8e3524b5656e99d7ec602805a85 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Tue, 13 Dec 2022 11:23:07 +0100
Subject: [PATCH 539/789] Move database section and alphabetical order

---
 docs/usage.md | 269 ++++++++++++++++++++++++++++++--------------------
 1 file changed, 164 insertions(+), 105 deletions(-)

diff --git a/docs/usage.md b/docs/usage.md
index 44d385a..f6168a6 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -103,66 +103,22 @@ nf-core/taxprofiler will automatically decompress and extract any compressed arc
 
 Expected (uncompressed) database files for each tool are as follows:
 
-- **MALT** output of `malt-build`. A directory containing:
-  - `ref.idx`
-  - `taxonomy.idx`
-  - `taxonomy.map`
-  - `index0.idx`
-  - `table0.idx`
-  - `table0.db`
-  - `ref.inf`
-  - `ref.db`
-  - `taxonomy.tre`
-- **Kraken2** output of `kraken2-build` command(s) A directory containing:
-  - `opts.k2d`
-  - `hash.k2d`
-  - `taxo.k2d`
-- **Bracken** output of a combined `kraken2-` and `bracken-build` process. Please see the [documentation on Bracken](https://github.com/jenniferlu717/Bracken#running-bracken-easy-version) for details. The output is a directory containing files per expected sequencing read length similarly to:
-  - `hash.k2d`
-  - `opts.k2d`
-  - `taxo.k2d`
-  - `database.kraken`
-  - `database100mers.kmer_distrib`
-  - `database100mers.kraken`
-  - `database150mers.kmer_distrib`
-  - `database150mers.kraken`
-- **KrakenUniq** output of `krakenuniq-build` command(s) A directory containing:
-  - `opts.k2d`
-  - `hash.k2d`
-  - `taxo.k2d`
-  - `database.idx`
-  - `taxDB`
-- **Centrifuge** output of `centrifuge-build`. A directory containing:
-  - `<database_name>.<number>.cf`
-  - `<database_name>.<number>.cf`
-  - `<database_name>.<number>.cf`
-  - `<database_name>.<number>.cf`
-- **MetaPhlAn3** generated with `metaphlan --install` or downloaded from links on the [MetaPhlAn3 wiki](https://github.com/biobakery/MetaPhlAn/wiki/MetaPhlAn-3.0#customizing-the-database). A directory containing:
-  - `mpa_v30_CHOCOPhlAn_201901.pkl`
-  - `mpa_v30_CHOCOPhlAn_201901.pkl`
-  - `mpa_v30_CHOCOPhlAn_201901.fasta`
-  - `mpa_v30_CHOCOPhlAn_201901.3.bt2`
-  - `mpa_v30_CHOCOPhlAn_201901.4.bt2`
-  - `mpa_v30_CHOCOPhlAn_201901.1.bt2`
-  - `mpa_v30_CHOCOPhlAn_201901.2.bt2`
-  - `mpa_v30_CHOCOPhlAn_201901.rev.1.bt2`
-  - `mpa_v30_CHOCOPhlAn_201901.rev.2.bt2`
-  - `mpa_latest`
-- **Kaiju** output of `kaiju-makedb`. A directory containing:
-  - `kaiju_db_*.fmi`
-  - `nodes.dmp`
-  - `names.dmp`
-- **DIAMOND** output of `diamond makedb`. Note: requires building with taxonomy files
-  to generate taxonomic profile. See [DIAMOND documentation](https://github.com/bbuchfink/diamond/wiki/3.-Command-line-options#makedb-options). A file named:
-  - `<database_name>.dmnd`
-- **mOTUs** is composed of code and database together. The mOTUs tools
+- [**Bracken** output](#bracken) of a combined `kraken2-` and `bracken-build` process. Please see the [documentation on Bracken](https://github.com/jenniferlu717/Bracken#running-bracken-easy-version) for details. The output is a directory containing files per expected sequencing read length.
+- [**Centrifuge** output](#centrifuge) of `centrifuge-build`.
+- [**DIAMOND** output](#diamond) of `diamond makedb`. Note: requires building with taxonomy files
+  to generate taxonomic profile. See [DIAMOND documentation](https://github.com/bbuchfink/diamond/wiki/3.-Command-line-options#makedb-options).
+- [**Kaiju** output](#kaiju) of `kaiju-makedb`.
+- [**Kraken2** output](#kraken2) of `kraken2-build` command(s).
+- [**KrakenUniq** output](#krakenuniq) of `krakenuniq-build` command(s).
+- [**MALT** output](#malt) of `malt-build`.
+- [**MetaPhlAn3**](#metaphlan3) generated with `metaphlan --install` or downloaded from links on the [MetaPhlAn3 wiki](https://github.com/biobakery/MetaPhlAn/wiki/MetaPhlAn-3.0#customizing-the-database).
+- [**mOTUs**](#motus) is composed of code and database together. The mOTUs tools
   [`downloadDB`](https://github.com/motu-tool/mOTUs/blob/master/motus/downloadDB.py)
   is used to prepare the mOTUs database and create a file with the version information.
   The database download step can be time consuming and the database will be consisting
   with same release version of the mOTUs tools. The database for same version tools
   can be thus reused for multiple runs. Users can download the database once using the script above and
   specify the path the database to the TSV table provided to `--databases`.
-- **KrakenUniq** WIP
 
 ## Running the pipeline
 
@@ -489,43 +445,50 @@ NXF_OPTS='-Xms1g -Xmx4g'
 Here we will give brief guidance on how to build databases for each supported taxonomic profiler. You should always consult the documentation of each toolfor more information, how we provide these as quick reference guides.
 The following tutorial assumes you already have the tool available (e.g. installed locally, or via conda, docker etc.), and you have already downloaded the FASTA files you wish to build into a database.
 
-#### Kraken2
-
-> These are instructions are based on Kraken 2.1.2
-> To build a Kraken2 database you need two components: a taxonomy (consisting of `names.dmp`, `nodes.dmp`, and `*accession2taxid`) files, and the FASTA files you wish to include.
-> To install pull the NCBI taxonomy you can run the following:
+#### Bracken
 
-```bash
-kraken2-build --download-taxonomy --db <YOUR_DB_NAME>
-```
+<details markdown="1">
+<summary>Output files</summary>
 
-You can then add your FASTA files with the following build command.
+- `bracken`
+  - `hash.k2d`
+  - `opts.k2d`
+  - `taxo.k2d`
+  - `database.kraken`
+  - `database100mers.kmer_distrib`
+  - `database100mers.kraken`
+  - `database150mers.kmer_distrib`
+  - `database150mers.kraken`
 
-```bash
-kraken2-build --add-to-library *.fna --db <YOUR_DB_NAME>
-```
+</details>
 
-You can repeat this step multiple times to iteratively add more genomes prior building.
+Bracken does not provide any default databases for profiling, but rather building upon Kraken2 databases. See [Kraken2](#kraken2) for more information on how to build these.
 
-You can also automatical download and add 'standard' libraries provided by Kraken2 (e.g. bacteria on RefSeq)
+In addition to a Kraken2 database, you also need to have the (average) read lengths (in bp) of your sequencing experiment, the K-mer size used to build the Kraken2 database, and Kraken2 available on your machine.
 
 ```bash
-kraken2-build --download-library bacteria --db <YOUR_DB_NAME>
+bracken-build -d <KRAKEN_DB_DIR> -k <KRAKEN_DB_KMER_LENGTH> -l <READLENGTH>
 ```
 
-Once all genomes are added to the library, you can build the database (and optionally clean it up):
-
-```bash
-kraken2-build --build --db <YOUR_DB_NAME>
-kraken2-build --clean--db <YOUR_DB_NAME>
-```
+> 🛈 You can speed up database construction by supplying the threads parameter (`-t`).
 
-You can then add the <YOUR_DB_NAME>/ path to your nf-core/taxprofiler database input sheet.
+> 🛈 If you do not have Kraken2 in your `$PATH` you can point to the binary with `-x /<path>/<to>/kraken2`.
 
-You can follow the Kraken2 [tutorial](https://github.com/DerrickWood/kraken2/blob/master/docs/MANUAL.markdown#custom-databases) for a more detailed description.
+You can follow Bracken [tutorial](https://ccb.jhu.edu/software/bracken/index.shtml?t=manual) for more information. Alternatively, you can use one of the indexes that can be found [here](https://benlangmead.github.io/aws-indexes/k2).
 
 #### Centrifuge
 
+<details markdown="1">
+<summary>Output files</summary>
+
+- `centrifuge`
+  - `<database_name>.<number>.cf`
+  - `<database_name>.<number>.cf`
+  - `<database_name>.<number>.cf`
+  - `<database_name>.<number>.cf`
+
+</details>
+
 Centrifuge allows the user to [build custom databases](https://ccb.jhu.edu/software/centrifuge/manual.shtml#custom-database). The user should download taxonomy files, make custom `seqid2taxid.map` and combine the fasta files together.
 
 ```bash
@@ -541,8 +504,43 @@ cat *.{fa,fna} > input-sequences.fna
 centrifuge-build -p 4 --conversion-table seqid2taxid.map --taxonomy-tree taxonomy/nodes.dmp --name-table taxonomy/names.dmp input-sequences.fna taxprofiler_cf
 ```
 
+#### DIAMOND
+
+<details markdown="1">
+<summary>Output files</summary>
+
+- `diamond`
+  - `<database_name>.dmnd`
+
+</details>
+
+To create a custom database for DIAMOND, the user should download and unzip the NCBI's taxonomy files. The `makedb` needs to be executed afterwards. A detailed description can be found [here](https://github.com/bbuchfink/diamond/wiki/1.-Tutorial)
+
+```bash
+wget ftp://ftp.ncbi.nlm.nih.gov/pub/taxonomy/taxdmp.zip
+unzip taxdmp.zip
+
+## warning: large file!
+wget ftp://ftp.ncbi.nlm.nih.gov/pub/taxonomy/accession2taxid/prot.accession2taxid.FULL.gz
+
+## warning: takes a long time!
+cat ../raw/*.faa | diamond makedb -d testdb-diamond --taxonmap prot.accession2taxid.FULL.gz --taxonnodes nodes.dmp --taxonnames names.dmp
+
+rm *dmp *txt *gz *prt *zip
+```
+
 #### Kaiju
 
+<details markdown="1">
+<summary>Output files</summary>
+
+- `kaiju`
+  - `kaiju_db_*.fmi`
+  - `nodes.dmp`
+  - `names.dmp`
+
+</details>
+
 It is possible to [create custom databases](https://github.com/bioinformatics-centre/kaiju#custom-database) with Kaiju.
 
 ```bash
@@ -550,61 +548,122 @@ kaiju-mkbwt -n 5 -a ACDEFGHIKLMNPQRSTVWY -o proteins proteins.faa
 kaiju-mkfmi proteins
 ```
 
-#### MALT
+#### Kraken2
 
-MALT does not provide any default databases for profiling, therefore you must build your own.
-You need FASTA files to include, and an (unzipped) [MEGAN mapping 'db' file](https://software-ab.informatik.uni-tuebingen.de/download/megan6/) for your FASTA type.
-In addition to the input directory, output directory, and the mapping file database, you also need to specify the sequence type (DNA or Protein) with the `-s` flag.
+<details markdown="1">
+<summary>Output files</summary>
 
-```bash
-malt-build -i <path>/<to>/<fasta>/*.{fna,fa,fasta} -a2t <path>/<to>/<map>.db -d <YOUR_DB_NAME>/  -s DNA
-```
+- `kraken2`
+  - `opts.k2d`
+  - `hash.k2d`
+  - `taxo.k2d`
 
-You can then add the <YOUR_DB_NAME>/ path to your nf-core/taxprofiler database input sheet.
+</details>
 
-⚠️ MALT generates very large database files and requires large amounts of RAM. You can reduce both by increasing the step size `-st` (with a reduction in sensitivity).
+> These are instructions are based on Kraken 2.1.2
+> To build a Kraken2 database you need two components: a taxonomy (consisting of `names.dmp`, `nodes.dmp`, and `*accession2taxid`) files, and the FASTA files you wish to include.
+> To install pull the NCBI taxonomy you can run the following:
 
-MALT-build can be multi-threaded with `-t` to speed up building.
+```bash
+kraken2-build --download-taxonomy --db <YOUR_DB_NAME>
+```
 
-See the [MALT manual](https://software-ab.informatik.uni-tuebingen.de/download/malt/manual.pdf) for more information.
+You can then add your FASTA files with the following build command.
 
-#### Bracken
+```bash
+kraken2-build --add-to-library *.fna --db <YOUR_DB_NAME>
+```
 
-Bracken does not provide any default databases for profiling, but rather building upon Kraken2 databases. See [Kraken2](#kraken2) for more information on how to build these.
+You can repeat this step multiple times to iteratively add more genomes prior building.
 
-In addition to a Kraken2 database, you also need to have the (average) read lengths (in bp) of your sequencing experiment, the K-mer size used to build the Kraken2 database, and Kraken2 available on your machine.
+You can also automatical download and add 'standard' libraries provided by Kraken2 (e.g. bacteria on RefSeq)
 
 ```bash
-bracken-build -d <KRAKEN_DB_DIR> -k <KRAKEN_DB_KMER_LENGTH> -l <READLENGTH>
+kraken2-build --download-library bacteria --db <YOUR_DB_NAME>
 ```
 
-> 🛈 You can speed up database construction by supplying the threads parameter (`-t`).
+Once all genomes are added to the library, you can build the database (and optionally clean it up):
 
-> 🛈 If you do not have Kraken2 in your `$PATH` you can point to the binary with `-x /<path>/<to>/kraken2`.
+```bash
+kraken2-build --build --db <YOUR_DB_NAME>
+kraken2-build --clean--db <YOUR_DB_NAME>
+```
 
-You can follow Bracken [tutorial](https://ccb.jhu.edu/software/bracken/index.shtml?t=manual) for more information. Alternatively, you can use one of the indexes that can be found [here](https://benlangmead.github.io/aws-indexes/k2).
+You can then add the <YOUR_DB_NAME>/ path to your nf-core/taxprofiler database input sheet.
+
+You can follow the Kraken2 [tutorial](https://github.com/DerrickWood/kraken2/blob/master/docs/MANUAL.markdown#custom-databases) for a more detailed description.
 
 #### KrakenUniq
 
+<details markdown="1">
+<summary>Output files</summary>
+
+- `krakenuniq`
+  - `opts.k2d`
+  - `hash.k2d`
+  - `taxo.k2d`
+  - `database.idx`
+  - `taxDB`
+
+</details>
+
 For KrakenUniq, we recommend using one of the available databases [here](https://benlangmead.github.io/aws-indexes/k2). But if you wish to build your own, please see the [documentation](https://github.com/fbreitwieser/krakenuniq/blob/master/README.md#custom-databases-with-ncbi-taxonomy).
 
-#### DIAMOND
 
-To create a custom database for DIAMOND, the user should download and unzip the NCBI's taxonomy files. The `makedb` needs to be executed afterwards. A detailed description can be found [here](https://github.com/bbuchfink/diamond/wiki/1.-Tutorial)
+#### MALT
 
-```bash
-wget ftp://ftp.ncbi.nlm.nih.gov/pub/taxonomy/taxdmp.zip
-unzip taxdmp.zip
+<details markdown="1">
+<summary>Output files</summary>
 
-## warning: large file!
-wget ftp://ftp.ncbi.nlm.nih.gov/pub/taxonomy/accession2taxid/prot.accession2taxid.FULL.gz
+- `malt`
+  - `ref.idx`
+  - `taxonomy.idx`
+  - `taxonomy.map`
+  - `index0.idx`
+  - `table0.idx`
+  - `table0.db`
+  - `ref.inf`
+  - `ref.db`
+  - `taxonomy.tre`
 
-## warning: takes a long time!
-cat ../raw/*.faa | diamond makedb -d testdb-diamond --taxonmap prot.accession2taxid.FULL.gz --taxonnodes nodes.dmp --taxonnames names.dmp
+</details>
 
-rm *dmp *txt *gz *prt *zip
+MALT does not provide any default databases for profiling, therefore you must build your own.
+You need FASTA files to include, and an (unzipped) [MEGAN mapping 'db' file](https://software-ab.informatik.uni-tuebingen.de/download/megan6/) for your FASTA type.
+In addition to the input directory, output directory, and the mapping file database, you also need to specify the sequence type (DNA or Protein) with the `-s` flag.
+
+```bash
+malt-build -i <path>/<to>/<fasta>/*.{fna,fa,fasta} -a2t <path>/<to>/<map>.db -d <YOUR_DB_NAME>/  -s DNA
 ```
 
+You can then add the <YOUR_DB_NAME>/ path to your nf-core/taxprofiler database input sheet.
+
+⚠️ MALT generates very large database files and requires large amounts of RAM. You can reduce both by increasing the step size `-st` (with a reduction in sensitivity).
+
+MALT-build can be multi-threaded with `-t` to speed up building.
+
+See the [MALT manual](https://software-ab.informatik.uni-tuebingen.de/download/malt/manual.pdf) for more information.
+
+
+#### MetaPhlAn3
+
+<details markdown="1">
+<summary>Output files</summary>
+
+- `metaphlan3`
+  - `mpa_v30_CHOCOPhlAn_201901.pkl`
+  - `mpa_v30_CHOCOPhlAn_201901.pkl`
+  - `mpa_v30_CHOCOPhlAn_201901.fasta`
+  - `mpa_v30_CHOCOPhlAn_201901.3.bt2`
+  - `mpa_v30_CHOCOPhlAn_201901.4.bt2`
+  - `mpa_v30_CHOCOPhlAn_201901.1.bt2`
+  - `mpa_v30_CHOCOPhlAn_201901.2.bt2`
+  - `mpa_v30_CHOCOPhlAn_201901.rev.1.bt2`
+  - `mpa_v30_CHOCOPhlAn_201901.rev.2.bt2`
+  - `mpa_latest`
+
+</details>
+
 #### mOTUs
 
 A detailed description on how to download mOTUs database can be found [here](https://github.com/motu-tool/mOTUs)

From c9e4eba62db71e8d7b40fa5c00b897277d34ffeb Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Tue, 13 Dec 2022 11:26:06 +0100
Subject: [PATCH 540/789] Prettier

---
 docs/output.md | 1 +
 1 file changed, 1 insertion(+)

diff --git a/docs/output.md b/docs/output.md
index e194d4d..ef04736 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -166,6 +166,7 @@ fastp can automatically detect adapter sequences for Illumina data.
 <summary>Output files</summary>
 
 - `krakenuniq`
+
   - `<sample_id>.classified.fastq.gz`
   - `<sample_id>.krakenuniq.classified.txt`
   - `<sample_id>.krakenuniq.report.txt`

From 3282f5944b45482ed00f1187fdaf9cc21e469bcf Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Tue, 13 Dec 2022 11:28:17 +0100
Subject: [PATCH 541/789] Apply prettier

---
 docs/usage.md | 2 --
 1 file changed, 2 deletions(-)

diff --git a/docs/usage.md b/docs/usage.md
index f6168a6..77f5483 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -609,7 +609,6 @@ You can follow the Kraken2 [tutorial](https://github.com/DerrickWood/kraken2/blo
 
 For KrakenUniq, we recommend using one of the available databases [here](https://benlangmead.github.io/aws-indexes/k2). But if you wish to build your own, please see the [documentation](https://github.com/fbreitwieser/krakenuniq/blob/master/README.md#custom-databases-with-ncbi-taxonomy).
 
-
 #### MALT
 
 <details markdown="1">
@@ -644,7 +643,6 @@ MALT-build can be multi-threaded with `-t` to speed up building.
 
 See the [MALT manual](https://software-ab.informatik.uni-tuebingen.de/download/malt/manual.pdf) for more information.
 
-
 #### MetaPhlAn3
 
 <details markdown="1">

From 644c4ab83115629ae0b08719d636601824d018bb Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Tue, 13 Dec 2022 12:00:32 +0100
Subject: [PATCH 542/789] Review suggestions

---
 docs/usage.md | 47 +++++++++++++++++++++++++++++++++++++----------
 1 file changed, 37 insertions(+), 10 deletions(-)

diff --git a/docs/usage.md b/docs/usage.md
index 77f5483..d5ec101 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -440,7 +440,7 @@ NXF_OPTS='-Xms1g -Xmx4g'
 
 ## Tutorials
 
-### Tutorial - How to create your custom database
+### Retrieving databases or building custom databases
 
 Here we will give brief guidance on how to build databases for each supported taxonomic profiler. You should always consult the documentation of each toolfor more information, how we provide these as quick reference guides.
 The following tutorial assumes you already have the tool available (e.g. installed locally, or via conda, docker etc.), and you have already downloaded the FASTA files you wish to build into a database.
@@ -448,7 +448,7 @@ The following tutorial assumes you already have the tool available (e.g. install
 #### Bracken
 
 <details markdown="1">
-<summary>Output files</summary>
+<summary>Expected files in database directory</summary>
 
 - `bracken`
   - `hash.k2d`
@@ -479,7 +479,7 @@ You can follow Bracken [tutorial](https://ccb.jhu.edu/software/bracken/index.sht
 #### Centrifuge
 
 <details markdown="1">
-<summary>Output files</summary>
+<summary>Expected files in database directory</summary>
 
 - `centrifuge`
   - `<database_name>.<number>.cf`
@@ -507,7 +507,7 @@ centrifuge-build -p 4 --conversion-table seqid2taxid.map --taxonomy-tree taxonom
 #### DIAMOND
 
 <details markdown="1">
-<summary>Output files</summary>
+<summary>Expected files in database directory</summary>
 
 - `diamond`
   - `<database_name>.dmnd`
@@ -532,7 +532,7 @@ rm *dmp *txt *gz *prt *zip
 #### Kaiju
 
 <details markdown="1">
-<summary>Output files</summary>
+<summary>Expected files in database directory</summary>
 
 - `kaiju`
   - `kaiju_db_*.fmi`
@@ -551,7 +551,7 @@ kaiju-mkfmi proteins
 #### Kraken2
 
 <details markdown="1">
-<summary>Output files</summary>
+<summary>Expected files in database directory</summary>
 
 - `kraken2`
   - `opts.k2d`
@@ -596,7 +596,7 @@ You can follow the Kraken2 [tutorial](https://github.com/DerrickWood/kraken2/blo
 #### KrakenUniq
 
 <details markdown="1">
-<summary>Output files</summary>
+<summary>Expected files in database directory</summary>
 
 - `krakenuniq`
   - `opts.k2d`
@@ -612,7 +612,7 @@ For KrakenUniq, we recommend using one of the available databases [here](https:/
 #### MALT
 
 <details markdown="1">
-<summary>Output files</summary>
+<summary>Expected files in database directory</summary>
 
 - `malt`
   - `ref.idx`
@@ -645,8 +645,19 @@ See the [MALT manual](https://software-ab.informatik.uni-tuebingen.de/download/m
 
 #### MetaPhlAn3
 
+MetaPhlAn3 provides a prebuilt database of marker genes.
+This must be downloaded by the user. To do this you need to have `MetaPhlAn3` installed on your machine.
+
+```bash
+metaphlan --install --bowtie2db <YOUR_DB_NAME>/
+```
+
+You can then add the `<YOUR_DB_NAME>/` path to your nf-core/taxprofiler database input sheet.
+
+> 🛈 It is generally not recommended to modify this database yourself, thus this is currently not supported in the pipeline. However, it is possible to customise the existing database by adding your own marker genomes following the instructions [here](https://github.com/biobakery/MetaPhlAn/wiki/MetaPhlAn-3.1#customizing-the-database). If using your own database is relevant for you, please contact the nf-core/taxprofiler developers on the [nf-core slack](https://nf-co.re/join) and we will investigate supporting this.
+
 <details markdown="1">
-<summary>Output files</summary>
+<summary>Expected files in database directory</summary>
 
 - `metaphlan3`
   - `mpa_v30_CHOCOPhlAn_201901.pkl`
@@ -662,9 +673,25 @@ See the [MALT manual](https://software-ab.informatik.uni-tuebingen.de/download/m
 
 </details>
 
+More information on the MetaPhlAn3 database can be found [here](https://github.com/biobakery/MetaPhlAn/wiki/MetaPhlAn-3.1#installation).
+
 #### mOTUs
 
-A detailed description on how to download mOTUs database can be found [here](https://github.com/motu-tool/mOTUs)
+mOTUs provides a prebuilt database of marker genes.
+
+This must be downloaded by the user. To do this you need to have `mOTUs` installed on your machine.
+
+```bash
+motus downloadDB
+```
+
+Then supply the `db_mOTU/` path to your nf-core/taxprofiler database input sheet.
+
+> ⚠️ The `db_mOTU/` directory may be downloaded to somewhere in your Python's `site-package` directory. You will have to find this yourself as the exact location varies depends on installation method.
+
+It is not possible to create a custom mOTUs database.
+
+More information on the mOTUs database can be found [here](https://motu-tool.org/installation.html).
 
 ## Troubleshooting and FAQs
 

From 88589fbc53fa861a76509351bb032474e6ef3161 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 15 Dec 2022 10:35:06 +0100
Subject: [PATCH 543/789] Fix publishing of log files of rpreprocessing steps

---
 conf/modules.config | 144 ++++++++++++++++++++++++++++++--------------
 1 file changed, 100 insertions(+), 44 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 747a03a..5127ff5 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -61,10 +61,17 @@ process {
         ].join(' ').trim()
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [
-            path: { "${params.outdir}/fastp" },
-            mode: params.publish_dir_mode,
-            pattern: '*.fastq.gz',
-            enabled: params.save_preprocessed_reads
+            [
+                path: { "${params.outdir}/fastp" },
+                mode: params.publish_dir_mode,
+                pattern: '*.fastq.gz',
+                enabled: params.save_preprocessed_reads
+            ],
+            [
+                path: { "${params.outdir}/fastp" },
+                mode: params.publish_dir_mode,
+                pattern: '*.{log,html,json}'
+            ]
         ]
     }
 
@@ -82,10 +89,17 @@ process {
         ].join(' ').trim()
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [
-            path: { "${params.outdir}/fastp" },
-            mode: params.publish_dir_mode,
-            pattern: '*.fastq.gz',
-            enabled: params.save_preprocessed_reads
+            [
+                path: { "${params.outdir}/fastp" },
+                mode: params.publish_dir_mode,
+                pattern: '*.fastq.gz',
+                enabled: params.save_preprocessed_reads
+            ],
+            [
+                path: { "${params.outdir}/fastp" },
+                mode: params.publish_dir_mode,
+                pattern: '*.{log,html,json}'
+            ]
         ]
     }
 
@@ -98,10 +112,17 @@ process {
         ].join(' ').trim()
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [
-            path: { "${params.outdir}/adapterremoval" },
-            mode: params.publish_dir_mode,
-            pattern: '*.fastq.gz',
-            enabled: params.save_preprocessed_reads
+            [
+                path: { "${params.outdir}/adapterremoval" },
+                mode: params.publish_dir_mode,
+                pattern: '*.fastq.gz',
+                enabled: params.save_preprocessed_reads
+            ],
+            [
+                path: { "${params.outdir}/adapterremoval" },
+                mode: params.publish_dir_mode,
+                pattern: '*.settings'
+            ]
         ]
     }
 
@@ -117,20 +138,34 @@ process {
         ].join(' ').trim()
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [
-            path: { "${params.outdir}/adapterremoval" },
-            mode: params.publish_dir_mode,
-            pattern: '*.fastq.gz',
-            enabled: params.save_preprocessed_reads
+            [
+                path: { "${params.outdir}/adapterremoval" },
+                mode: params.publish_dir_mode,
+                pattern: '*.fastq.gz',
+                enabled: params.save_preprocessed_reads
+            ],
+            [
+                path: { "${params.outdir}/adapterremoval" },
+                mode: params.publish_dir_mode,
+                pattern: '*.settings'
+            ]
         ]
     }
 
     withName: PORECHOP_PORECHOP {
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [
-            path: { "${params.outdir}/porechop" },
-            mode: params.publish_dir_mode,
-            pattern: '*.fastq.gz',
-            enabled: params.save_preprocessed_reads
+            [
+                path: { "${params.outdir}/porechop" },
+                mode: params.publish_dir_mode,
+                pattern: '*.fastq.gz',
+                enabled: params.save_preprocessed_reads
+            ],
+            [
+                path: { "${params.outdir}/porechop" },
+                mode: params.publish_dir_mode,
+                pattern: '*.log'
+            ]
         ]
     }
 
@@ -143,10 +178,17 @@ process {
         .join(' ').trim()
         ext.prefix = { "${meta.id}_${meta.run_accession}_filtered" }
         publishDir = [
-            path: { "${params.outdir}/filtlong" },
-            mode: params.publish_dir_mode,
-            pattern: '*.{fastq.gz,log}',
-            enabled: params.save_preprocessed_reads
+            [
+                path: { "${params.outdir}/filtlong" },
+                mode: params.publish_dir_mode,
+                pattern: '*.fastq.gz',
+                enabled: params.save_preprocessed_reads
+            ],
+            [
+                path: { "${params.outdir}/filtlong" },
+                mode: params.publish_dir_mode,
+                pattern: '*.log'
+            ]
         ]
     }
 
@@ -163,21 +205,21 @@ process {
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [
             [
-            path: { "${params.outdir}/bowtie2/align" },
-            mode: params.publish_dir_mode,
-            pattern: '*.log'
+                path: { "${params.outdir}/bowtie2/align" },
+                mode: params.publish_dir_mode,
+                pattern: '*.log'
             ],
             [
-            path: { "${params.outdir}/bowtie2/align" },
-            mode: params.publish_dir_mode,
-            enabled: params.save_hostremoval_mapped,
-            pattern: '*.bam'
+                path: { "${params.outdir}/bowtie2/align" },
+                mode: params.publish_dir_mode,
+                enabled: params.save_hostremoval_mapped,
+                pattern: '*.bam'
             ],
             [
-            path: { "${params.outdir}/bowtie2/align" },
-            mode: params.publish_dir_mode,
-            enabled: params.save_hostremoval_unmapped,
-            pattern: '*.fastq.gz'
+                path: { "${params.outdir}/bowtie2/align" },
+                mode: params.publish_dir_mode,
+                enabled: params.save_hostremoval_unmapped,
+                pattern: '*.fastq.gz'
             ]
         ]
     }
@@ -240,10 +282,17 @@ process {
             ].join(' ').trim()
         ext.prefix = { "${meta.id}-${meta.run_accession}" }
         publishDir = [
-            path: { "${params.outdir}/bbduk/" },
-            mode: params.publish_dir_mode,
-            pattern: '*.{fastq.gz,log}',
-            enabled: params.save_complexityfiltered_reads
+            [
+                path: { "${params.outdir}/bbduk/" },
+                mode: params.publish_dir_mode,
+                pattern: '*.{fastq.gz,log}',
+                enabled: params.save_complexityfiltered_reads
+            ],
+            [
+                path: { "${params.outdir}/bbduk/" },
+                mode: params.publish_dir_mode,
+                pattern: '*.log'
+            ]
         ]
     }
 
@@ -255,10 +304,17 @@ process {
             ].join(' ').trim()
         ext.prefix = { "${meta.id}-${meta.run_accession}" }
         publishDir = [
-            path: { "${params.outdir}/prinseqplusplus/" },
-            mode: params.publish_dir_mode,
-            pattern: '*{_good_out.fastq.gz,_good_out_R1.fastq.gz,_good_out_R2.fastq.gz,log}',
-            enabled: params.save_complexityfiltered_reads
+            [
+                path: { "${params.outdir}/prinseqplusplus/" },
+                mode: params.publish_dir_mode,
+                pattern: '*{_good_out.fastq.gz,_good_out_R1.fastq.gz,_good_out_R2.fastq.gz}',
+                enabled: params.save_complexityfiltered_reads
+            ],
+            [
+                path: { "${params.outdir}/prinseqplusplus/" },
+                mode: params.publish_dir_mode,
+                pattern: '*.log'
+            ]
         ]
     }
 
@@ -318,7 +374,7 @@ process {
         publishDir = [
             path: { "${params.outdir}/bracken/" },
             mode: params.publish_dir_mode,
-            pattern: '*.{txt}'
+            pattern: '*.txt'
         ]
     }
 

From 3b86a22556825e3aa7e15cd5fa4d415343d3ac13 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 15 Dec 2022 12:57:49 +0100
Subject: [PATCH 544/789] Fix falco publication names

---
 conf/modules.config           | 4 ++--
 modules/nf-core/falco/main.nf | 4 +++-
 2 files changed, 5 insertions(+), 3 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 5127ff5..f50b20c 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -33,7 +33,7 @@ process {
     }
 
     withName: FALCO {
-        ext.prefix = { "${meta.id}_${meta.run_accession}_raw" }
+        ext.prefix = { "${meta.id}_${meta.run_accession}_raw_falco" }
         publishDir = [
             path: { "${params.outdir}/falco/raw" },
             mode: params.publish_dir_mode,
@@ -42,7 +42,7 @@ process {
     }
 
     withName: FALCO_PROCESSED {
-        ext.prefix = { "${meta.id}_${meta.run_accession}_processed" }
+        ext.prefix = { "${meta.id}_${meta.run_accession}_processed_falco" }
         publishDir = [
             path: { "${params.outdir}/falco/processed" },
             mode: params.publish_dir_mode,
diff --git a/modules/nf-core/falco/main.nf b/modules/nf-core/falco/main.nf
index 1688162..b279c57 100644
--- a/modules/nf-core/falco/main.nf
+++ b/modules/nf-core/falco/main.nf
@@ -33,7 +33,9 @@ process FALCO {
         """
     } else {
         """
-        falco $args --threads $task.cpus ${reads}
+        [ ! -f  ${prefix}_1.fastq.gz ] && ln -s ${reads[0]} ${prefix}_1.fastq.gz
+        [ ! -f  ${prefix}_2.fastq.gz ] && ln -s ${reads[1]} ${prefix}_2.fastq.gz
+        falco $args --threads $task.cpus ${prefix}_1.fastq.gz ${prefix}_2.fastq.gz
 
         cat <<-END_VERSIONS > versions.yml
         "${task.process}":

From 9e6a91aff929ddd12170278565771571c18f0dda Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 15 Dec 2022 13:25:01 +0100
Subject: [PATCH 545/789] Distinguish  Kraken2 from Bracken

---
 conf/modules.config | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index f50b20c..60ebaa4 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -351,7 +351,7 @@ process {
 
     withName: KRAKEN2_KRAKEN2 {
         ext.args = params.kraken2_save_minimizers ? { "${meta.db_params} --report-minimizer-data" } : { "${meta.db_params}" }
-        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+        ext.prefix = params.perform_runmerging ? { meta.tool == "bracken" ? "${meta.id}-${meta.db_name}.bracken" : "${meta.id}-${meta.db_name}" } : { meta.tool == "bracken" ? "${meta.id}-${meta.run_accession}-${meta.db_name}.bracken" : "${meta.id}-${meta.run_accession}-${meta.db_name}" }
         publishDir = [
             path: { "${params.outdir}/kraken2/${meta.db_name}/" },
             mode: params.publish_dir_mode,
@@ -361,7 +361,7 @@ process {
 
     withName: BRACKEN_BRACKEN {
         errorStrategy = 'ignore'
-        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}.bracken" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}.bracken" }
         publishDir = [
             path: { "${params.outdir}/bracken/${meta.db_name}/" },
             mode: params.publish_dir_mode,

From 0bdc119f9cee402257816ef4362b42a2b92b4866 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 15 Dec 2022 13:27:41 +0100
Subject: [PATCH 546/789] Include falco patch

---
 modules.json                     |  3 ++-
 modules/nf-core/falco/falco.diff | 16 ++++++++++++++++
 2 files changed, 18 insertions(+), 1 deletion(-)
 create mode 100644 modules/nf-core/falco/falco.diff

diff --git a/modules.json b/modules.json
index a3017f7..7eb15e3 100644
--- a/modules.json
+++ b/modules.json
@@ -73,7 +73,8 @@
                     "falco": {
                         "branch": "master",
                         "git_sha": "fc959214036403ad83efe7a41d43d0606c445cda",
-                        "installed_by": ["modules"]
+                        "installed_by": ["modules"],
+                        "patch": "modules/nf-core/falco/falco.diff"
                     },
                     "fastp": {
                         "branch": "master",
diff --git a/modules/nf-core/falco/falco.diff b/modules/nf-core/falco/falco.diff
new file mode 100644
index 0000000..4c726b9
--- /dev/null
+++ b/modules/nf-core/falco/falco.diff
@@ -0,0 +1,16 @@
+Changes in module 'nf-core/falco'
+--- modules/nf-core/falco/main.nf
++++ modules/nf-core/falco/main.nf
+@@ -33,7 +33,9 @@
+         """
+     } else {
+         """
+-        falco $args --threads $task.cpus ${reads}
++        [ ! -f  ${prefix}_1.fastq.gz ] && ln -s ${reads[0]} ${prefix}_1.fastq.gz
++        [ ! -f  ${prefix}_2.fastq.gz ] && ln -s ${reads[1]} ${prefix}_2.fastq.gz
++        falco $args --threads $task.cpus ${prefix}_1.fastq.gz ${prefix}_2.fastq.gz
+ 
+         cat <<-END_VERSIONS > versions.yml
+         "${task.process}":
+
+************************************************************

From d6db04503e0fe2d643a7f34cb915a708f490de1e Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Thu, 15 Dec 2022 17:04:45 +0100
Subject: [PATCH 547/789] Configuration of multiqc report

---
 assets/multiqc_config.yml | 207 +++++++++++++++++++++++++++++++++++++-
 1 file changed, 205 insertions(+), 2 deletions(-)

diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml
index e4a04a9..865879b 100644
--- a/assets/multiqc_config.yml
+++ b/assets/multiqc_config.yml
@@ -19,11 +19,20 @@ custom_logo_title: "nf-core/taxprofiler"
 run_modules:
   - fastqc
   - adapterRemoval
+  - bbduk
+  - prinseqplusplus
   - fastp
+  - filtlong
   - bowtie2
+  - minimap2
   - samtools
   - kraken
+  - kaiju
+  - metaphlan
+  - diamond
   - malt
+  - motus
+  - porechop
   - custom_content
 
 #extra_fn_clean_exts:
@@ -36,16 +45,41 @@ top_modules:
       name: "FastQC (pre-Trimming)"
       path_filters:
         - "*raw_*fastqc.zip"
+  - "fastqc":
+      name: "Falco (pre-Trimming)"
+      path_filters:
+        - "*_raw_falco_*_report.html"
   - "fastp"
   - "adapterRemoval"
+  - "porechop"
   - "fastqc":
       name: "FastQC (post-Trimming)"
       path_filters:
-        - "*raw_*processed.zip"
+        - "*_processed_*fastqc.zip"
+  - "fastqc":
+      name: "Falco (post-Trimming)"
+      path_filters:
+        - "*_processed_falco_*_report.html"
+  - "bbduk"
+  - "prinseqplusplus"
+  - "filtlong"
+  - "bowtie2":
+      name: "bowtie2"
+  - "samtools":
+      name: "Samtools Stats"
   - "kraken":
       name: "Kraken"
       path_filters:
-        - "*.kraken2.report.txt"
+        - "*.kraken2.kraken2.report.txt"
+  - "kraken":
+      name: "Bracken"
+      anchor: "bracken"
+      target: "Bracken"
+      doi: "10.7717/peerj-cs.104"
+      info: "Estimates species abundances in metagenomics samples by probabilistically re-distributing reads in the taxonomic tree."
+      extra: "Note: plot title will say Kraken2 due to the first step of bracken producing the same output format as Kraken. Abundance information is currently not supported in MultiQC."
+      path_filters:
+        - "*.bracken.kraken2.report.txt"
   - "kraken":
       name: "Centrifuge"
       anchor: "centrifuge"
@@ -55,3 +89,172 @@ top_modules:
       extra: "Note: plot title will say Kraken2 due to Centrifuge producing the same output format as Kraken. If activated, see the actual Kraken2 results in the section above."
       path_filters:
         - "*.centrifuge.txt"
+  - "malt":
+      name: "MALT"
+  - "diamond"
+  - "kaiju":
+      name: "Kaiju"
+  - "motus"
+
+#It is not possible to set placement for custom kraken and centrifuge columns.
+
+table_columns_placement:
+  FastQC (pre-Trimming):
+    total_sequences: 100
+    avg_sequence_length: 110
+    percent_duplicates: 120
+    percent_gc: 130
+    percent_fails: 140
+  Falco (pre-Trimming):
+    total_sequences: 200
+    avg_sequence_length: 210
+    percent_duplicates: 220
+    percent_gc: 230
+    percent_fails: 240
+  fastp:
+    pct_adapter: 300
+    pct_surviving: 310
+    pct_duplication: 320
+    after_filtering_gc_content: 330
+    after_filtering_q30_rate: 340
+    after_filtering_q30_bases: 350
+  Adapter Removal:
+    aligned_total: 360
+    percent_aligned: 370
+    percent_collapsed: 380
+    percent_discarded: 390
+  FastQC (post-Trimming):
+    total_sequences: 400
+    avg_sequence_length: 410
+    percent_duplicates: 420
+    percent_gc: 430
+    percent_fails: 440
+  Falco (post-Trimming):
+    total_sequences: 500
+    avg_sequence_length: 510
+    percent_duplicates: 520
+    percent_gc: 530
+    percent_fails: 540
+  bowtie2:
+    overall_alignment_rate: 600
+  Samtools Stats:
+    raw_total_sequences: 700
+    reads_mapped: 710
+    reads_mapped_percent: 720
+    reads_properly_paired_percent: 730
+    non-primary_alignments: 740
+    reads_MQ0_percent: 750
+    error_rate: 760
+  MALT:
+    Num. of queries: 1000
+    Total reads: 1100
+    Mappability: 1200
+    Assig. Taxonomy: 1300
+    Taxonomic assignment success: 1400
+  Kaiju:
+    assigned: 2000
+    "% Assigned": 2100
+    "% Unclassified": 2200
+
+table_columns_visible:
+  FastQC (pre-Trimming):
+    total_sequences: True
+    avg_sequence_length: True
+    percent_duplicates: True
+    percent_gc: True
+    percent_fails: False
+  Falco (pre-Trimming):
+    total_sequences: True
+    avg_sequence_length: True
+    percent_duplicates: True
+    percent_gc: True
+    percent_fails: False
+  fastp:
+    pct_adapter: True
+    pct_surviving: True
+    pct_duplication: False
+    after_filtering_gc_content: False
+    after_filtering_q30_rate: False
+    after_filtering_q30_bases: False
+  Adapter Removal:
+    aligned_total: True
+    percent_aligned: True
+    percent_collapsed: True
+    percent_discarded: False
+  FastQC (post-Trimming):
+    total_sequences: True
+    avg_sequence_length: True
+    percent_duplicates: False
+    percent_gc: False
+    percent_fails: False
+  Falco (post-Trimming):
+    total_sequences: True
+    avg_sequence_length: True
+    percent_duplicates: False
+    percent_gc: False
+    percent_fails: False
+  bowtie2:
+    overall_alignment_rate: True
+  Samtools Stats:
+    raw_total_sequences: True
+    reads_mapped: True
+    reads_mapped_percent: True
+    reads_properly_paired_percent: False
+    non-primary_alignments: False
+    reads_MQ0_percent: False
+    error_rate: False
+  Kraken:
+    "% Unclassified": True
+    "% Top 5": False
+  Bracken:
+    "% Unclassified": True
+    "% Top 5": False
+  Centrifuge:
+    "% Unclassified": True
+    "% Top 5": False
+  MALT:
+    Num. of queries: True
+    Total reads: True
+    Mappability: True
+    Assig. Taxonomy: False
+    Taxonomic assignment success: True
+  Kaiju:
+    assigned: False
+    "% Assigned": False
+    "% Unclassified": True
+table_columns_name:
+  FastQC (pre-Trimming):
+    total_sequences: "Nr. Input Reads"
+    avg_sequence_length: "Length Input Reads"
+    percent_gc: "% GC Input Reads"
+    percent_duplicates: "% Dups Input Reads"
+    percent_fails: "% Failed Input Reads"
+  Falco (pre-Trimming):
+    total_sequences: "Nr. Input Reads"
+    avg_sequence_length: "Length Input Reads"
+    percent_gc: "% GC Input Reads"
+    percent_duplicates: "% Dups Input Reads"
+    percent_fails: "% Failed Input Reads"
+  FastQC (post-Trimming):
+    total_sequences: "Nr. Processed Reads"
+    avg_sequence_length: "Length Processed Reads"
+    percent_gc: "% GC Processed Reads"
+    percent_duplicates: "% Dups Processed Reads"
+    percent_fails: "%Failed Processed Reads"
+  Falco (post-Trimming):
+    total_sequences: "Nr. Processed Reads"
+    avg_sequence_length: "Length Processed Reads"
+    percent_gc: "% GC Processed Reads"
+    percent_duplicates: "% Dups Processed Reads"
+    percent_fails: "%Failed Processed Reads"
+  Samtools Stats:
+    raw_total_sequences: "Nr. Reads Into Mapping"
+    reads_mapped: "Nr. Mapped Reads"
+    reads_mapped_percent: "% Mapped Reads"
+  
+
+extra_fn_clean_exts:
+    - ".kraken2.kraken2.report.txt"
+    - ".centrifuge.txt"
+    - ".bracken.kraken2.report.txt"
+    - ".settings"

From a2c81e33fd6496e1cfa81d091d870cdda1030687 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Fri, 16 Dec 2022 08:38:58 +0100
Subject: [PATCH 548/789] Prettier

---
 assets/multiqc_config.yml | 9 ++++-----
 1 file changed, 4 insertions(+), 5 deletions(-)

diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml
index 865879b..1deb8f8 100644
--- a/assets/multiqc_config.yml
+++ b/assets/multiqc_config.yml
@@ -251,10 +251,9 @@ table_columns_name:
     raw_total_sequences: "Nr. Reads Into Mapping"
     reads_mapped: "Nr. Mapped Reads"
     reads_mapped_percent: "% Mapped Reads"
-  
 
 extra_fn_clean_exts:
-    - ".kraken2.kraken2.report.txt"
-    - ".centrifuge.txt"
-    - ".bracken.kraken2.report.txt"
-    - ".settings"
+  - ".kraken2.kraken2.report.txt"
+  - ".centrifuge.txt"
+  - ".bracken.kraken2.report.txt"
+  - ".settings"

From 5a592f086e9e7c7cd448f9e1f0c276f218885080 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Fri, 16 Dec 2022 11:46:35 +0100
Subject: [PATCH 549/789] Update assets/multiqc_config.yml

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 assets/multiqc_config.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml
index 1deb8f8..014d9f7 100644
--- a/assets/multiqc_config.yml
+++ b/assets/multiqc_config.yml
@@ -246,7 +246,7 @@ table_columns_name:
     avg_sequence_length: "Length Processed Reads"
     percent_gc: "% GC Processed Reads"
     percent_duplicates: "% Dups Processed Reads"
-    percent_fails: "%Failed Processed Reads"
+    percent_fails: "% Failed Processed Reads"
   Samtools Stats:
     raw_total_sequences: "Nr. Reads Into Mapping"
     reads_mapped: "Nr. Mapped Reads"

From 07a1cfae62ceb98b074615868550d1f933a021b4 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Fri, 16 Dec 2022 11:46:42 +0100
Subject: [PATCH 550/789] Update assets/multiqc_config.yml

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 assets/multiqc_config.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml
index 014d9f7..6bc13c2 100644
--- a/assets/multiqc_config.yml
+++ b/assets/multiqc_config.yml
@@ -240,7 +240,7 @@ table_columns_name:
     avg_sequence_length: "Length Processed Reads"
     percent_gc: "% GC Processed Reads"
     percent_duplicates: "% Dups Processed Reads"
-    percent_fails: "%Failed Processed Reads"
+    percent_fails: "% Failed Processed Reads"
   Falco (post-Trimming):
     total_sequences: "Nr. Processed Reads"
     avg_sequence_length: "Length Processed Reads"

From c23eb968f918317e33e3163ec7ed20f5bac2f765 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Fri, 16 Dec 2022 15:20:06 +0100
Subject: [PATCH 551/789] Remove TODOs from test configs

---
 conf/test.config                 | 2 --
 conf/test_krakenuniq.config      | 2 --
 conf/test_motus.config           | 2 --
 conf/test_nopreprocessing.config | 2 --
 conf/test_noprofiling.config     | 2 --
 conf/test_nothing.config         | 2 --
 6 files changed, 12 deletions(-)

diff --git a/conf/test.config b/conf/test.config
index db9f81d..68a3c6d 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -20,8 +20,6 @@ params {
     max_time   = '6.h'
 
     // Input data
-    // TODO nf-core: Specify the paths to your test data on nf-core/test-datasets
-    // TODO nf-core: Give any required params for the test so that command line flags are not needed
     input                                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
     databases                             = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
     perform_shortread_qc                  = true
diff --git a/conf/test_krakenuniq.config b/conf/test_krakenuniq.config
index 67b559e..eda9c4c 100644
--- a/conf/test_krakenuniq.config
+++ b/conf/test_krakenuniq.config
@@ -24,8 +24,6 @@ params {
     max_time   = '6.h'
 
     // Input data
-    // TODO nf-core: Specify the paths to your test data on nf-core/test-datasets
-    // TODO nf-core: Give any required params for the test so that command line flags are not needed
     input                                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
     databases                             = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database_krakenuniq.csv'
     perform_shortread_qc                  = true
diff --git a/conf/test_motus.config b/conf/test_motus.config
index ee41447..f7e694d 100644
--- a/conf/test_motus.config
+++ b/conf/test_motus.config
@@ -24,8 +24,6 @@ params {
     max_time   = '6.h'
 
     // Input data
-    // TODO nf-core: Specify the paths to your test data on nf-core/test-datasets
-    // TODO nf-core: Give any required params for the test so that command line flags are not needed
     input                                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
     databases                             = 'database_motus.csv'
     perform_shortread_qc                  = false
diff --git a/conf/test_nopreprocessing.config b/conf/test_nopreprocessing.config
index 1a36159..d84e2ec 100644
--- a/conf/test_nopreprocessing.config
+++ b/conf/test_nopreprocessing.config
@@ -20,8 +20,6 @@ params {
     max_time   = '6.h'
 
     // Input data
-    // TODO nf-core: Specify the paths to your test data on nf-core/test-datasets
-    // TODO nf-core: Give any required params for the test so that command line flags are not needed
     input                                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
     databases                             = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
     perform_shortread_qc                  = false
diff --git a/conf/test_noprofiling.config b/conf/test_noprofiling.config
index 3ca715b..e565491 100644
--- a/conf/test_noprofiling.config
+++ b/conf/test_noprofiling.config
@@ -20,8 +20,6 @@ params {
     max_time   = '6.h'
 
     // Input data
-    // TODO nf-core: Specify the paths to your test data on nf-core/test-datasets
-    // TODO nf-core: Give any required params for the test so that command line flags are not needed
     input                                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
     databases                             = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
     perform_shortread_qc                  = true
diff --git a/conf/test_nothing.config b/conf/test_nothing.config
index b95deb4..e881731 100644
--- a/conf/test_nothing.config
+++ b/conf/test_nothing.config
@@ -20,8 +20,6 @@ params {
     max_time   = '6.h'
 
     // Input data
-    // TODO nf-core: Specify the paths to your test data on nf-core/test-datasets
-    // TODO nf-core: Give any required params for the test so that command line flags are not needed
     input                                 = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/samplesheet.csv'
     databases                             = 'https://raw.githubusercontent.com/nf-core/test-datasets/taxprofiler/database.csv'
     perform_shortread_qc                  = false

From 770924587495e74a3bef3a57f3439d64f28595c4 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Tue, 20 Dec 2022 13:54:05 +0100
Subject: [PATCH 552/789] Update subworkflows/local/input_check.nf

Co-authored-by: Moritz E. Beber <midnighter@posteo.net>
---
 subworkflows/local/input_check.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index eb21b9d..7fd0072 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -34,7 +34,7 @@ workflow INPUT_CHECK {
     fastq = fastq ?: []                       // channel: [ val(meta), [ reads ] ]
     nanopore = nanopore ?: []                 // channel: [ val(meta), [ reads ] ]
     fasta = fasta ?: []                       // channel: [ val(meta), fasta ]
-    versions = SAMPLESHEET_CHECK.out.versions // channel: [ versions.yml ]
+    versions = SAMPLESHEET_CHECK.out.versions.first()  // channel: [ versions.yml ]
 }
 
 // Function to get list of [ meta, [ fastq_1, fastq_2 ] ]

From 11db981a887b27a271bede8cda0406a47a84743e Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 20 Dec 2022 13:55:15 +0100
Subject: [PATCH 553/789] minor fixes

---
 bin/check_samplesheet.py          |  4 ----
 docs/usage.md                     |  2 +-
 subworkflows/local/input_check.nf | 11 ++++-------
 3 files changed, 5 insertions(+), 12 deletions(-)

diff --git a/bin/check_samplesheet.py b/bin/check_samplesheet.py
index ca54ed9..a45cb93 100755
--- a/bin/check_samplesheet.py
+++ b/bin/check_samplesheet.py
@@ -50,13 +50,9 @@ def check_samplesheet(file_in, file_out):
 
     FQ_EXTENSIONS = (".fq.gz", ".fastq.gz")
     FA_EXTENSIONS = (
-        ".fa",
         ".fa.gz",
-        ".fasta",
         ".fasta.gz",
-        ".fna",
         ".fna.gz",
-        ".fas",
         ".fas.gz",
     )
     INSTRUMENT_PLATFORMS = [
diff --git a/docs/usage.md b/docs/usage.md
index 685c3e3..4f3e038 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -12,7 +12,7 @@
 
 nf-core/taxprofiler can accept as input raw or preprocessed single- or paired-end short-read (e.g. Illumina) FASTQ files, long-read FASTQ files (e.g. Oxford Nanopore), or FASTA sequences (available for a subset of profilers).
 
-> ⚠️ Input FASTQ files _must_ be gzipped, while FASTA files may optionally be uncompressed (although this is not recommended)
+> ⚠️ Input FASTQ and FASTA files _must_ be gzipped
 
 You will need to create a samplesheet with information about the samples you would like to analyse before running the pipeline. Use this parameter to specify its location. It has to be a comma-separated file with 6 columns, and a header row as shown in the examples below. Furthermother, nf-core/taxprofiler also requires a second comma-separated file of 3 columns with a header row as in the examples below.
 
diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index 7fd0072..672c0e8 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -18,23 +18,20 @@ workflow INPUT_CHECK {
             fastq: true
         }
 
-    parsed_samplesheet.fastq
+    fastq = parsed_samplesheet.fastq
         .map { create_fastq_channel(it) }
-        .set { fastq }
 
-    parsed_samplesheet.nanopore
+    nanopore = parsed_samplesheet.nanopore
         .map { create_fastq_channel(it) }
-        .set { nanopore }
 
-    parsed_samplesheet.fasta
+    fasta = parsed_samplesheet.fasta
         .map { create_fasta_channel(it) }
-        .set { fasta }
 
     emit:
     fastq = fastq ?: []                       // channel: [ val(meta), [ reads ] ]
     nanopore = nanopore ?: []                 // channel: [ val(meta), [ reads ] ]
     fasta = fasta ?: []                       // channel: [ val(meta), fasta ]
-    versions = SAMPLESHEET_CHECK.out.versions.first()  // channel: [ versions.yml ]
+    versions = SAMPLESHEET_CHECK.out.versions.first() // channel: [ versions.yml ]
 }
 
 // Function to get list of [ meta, [ fastq_1, fastq_2 ] ]

From 41063bc6703f044d59cc20f601cbbc419bf10e5c Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Tue, 20 Dec 2022 13:56:01 +0100
Subject: [PATCH 554/789] Apply suggestions from code review

Co-authored-by: Moritz E. Beber <midnighter@posteo.net>
---
 bin/check_samplesheet.py | 9 +++++----
 1 file changed, 5 insertions(+), 4 deletions(-)

diff --git a/bin/check_samplesheet.py b/bin/check_samplesheet.py
index a45cb93..9bc84cc 100755
--- a/bin/check_samplesheet.py
+++ b/bin/check_samplesheet.py
@@ -104,22 +104,23 @@ def check_samplesheet(file_in, file_out):
 
             ## Pull out only relevant columns for downstream checking
             line_parsed = [x.strip().strip('"') for x in line.strip().split(",")]
-            lspl = [line_parsed[i] for i in header_locs.values()]
 
             # Check valid number of columns per row
-            if len(lspl) < len(HEADER):
+            if len(line_parsed) < len(HEADER):
                 print_error(
                     "Invalid number of columns (minimum = {})!".format(len(HEADER)),
                     "Line",
                     line,
                 )
-            num_cols = len([x for x in lspl if x])
+            num_cols = len([x for x in line_parsed if x])
             if num_cols < MIN_COLS:
                 print_error(
                     "Invalid number of populated columns (minimum = {})!".format(MIN_COLS),
                     "Line",
                     line,
                 )
+                
+            lspl = [line_parsed[i] for i in header_locs.values()]
 
             ## Check sample name entries
 
@@ -169,7 +170,7 @@ def check_samplesheet(file_in, file_out):
             else:
                 if instrument_platform not in INSTRUMENT_PLATFORMS:
                     print_error(
-                        f"Instrument platform {instrument_platform} is not supported!",
+                        f"Instrument platform {instrument_platform} is not supported! "
                         f"List of supported platforms {', '.join(INSTRUMENT_PLATFORMS)}",
                         "Line",
                         line,

From 577da7e835eda533640a4c8f6521a12babdb4a7c Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 20 Dec 2022 13:59:14 +0100
Subject: [PATCH 555/789] Remove .first() as the module only executes once
 anyway and we get a ugly warning

---
 subworkflows/local/input_check.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index 672c0e8..57061f1 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -31,7 +31,7 @@ workflow INPUT_CHECK {
     fastq = fastq ?: []                       // channel: [ val(meta), [ reads ] ]
     nanopore = nanopore ?: []                 // channel: [ val(meta), [ reads ] ]
     fasta = fasta ?: []                       // channel: [ val(meta), fasta ]
-    versions = SAMPLESHEET_CHECK.out.versions.first() // channel: [ versions.yml ]
+    versions = SAMPLESHEET_CHECK.out.versions // channel: [ versions.yml ]
 }
 
 // Function to get list of [ meta, [ fastq_1, fastq_2 ] ]

From 656956b0f9a8bb04e31e8f74d4c7ac0380269fde Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 20 Dec 2022 14:08:42 +0100
Subject: [PATCH 556/789] Black formatting

---
 bin/check_samplesheet.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/bin/check_samplesheet.py b/bin/check_samplesheet.py
index 9bc84cc..f5b0e6a 100755
--- a/bin/check_samplesheet.py
+++ b/bin/check_samplesheet.py
@@ -119,7 +119,7 @@ def check_samplesheet(file_in, file_out):
                     "Line",
                     line,
                 )
-                
+
             lspl = [line_parsed[i] for i in header_locs.values()]
 
             ## Check sample name entries

From 7be3cfc4509b9a5fd827d154a84967a2a96c266d Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Tue, 20 Dec 2022 15:00:17 +0100
Subject: [PATCH 557/789] Review suggestions

---
 docs/usage.md | 203 ++++++++++++++++++++++++++++----------------------
 1 file changed, 116 insertions(+), 87 deletions(-)

diff --git a/docs/usage.md b/docs/usage.md
index d5ec101..c61c580 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -103,22 +103,16 @@ nf-core/taxprofiler will automatically decompress and extract any compressed arc
 
 Expected (uncompressed) database files for each tool are as follows:
 
-- [**Bracken** output](#bracken) of a combined `kraken2-` and `bracken-build` process. Please see the [documentation on Bracken](https://github.com/jenniferlu717/Bracken#running-bracken-easy-version) for details. The output is a directory containing files per expected sequencing read length.
-- [**Centrifuge** output](#centrifuge) of `centrifuge-build`.
-- [**DIAMOND** output](#diamond) of `diamond makedb`. Note: requires building with taxonomy files
+- [**Bracken** output](#bracken-custom-database) of a combined `kraken2-` and `bracken-build` process.
+- [**Centrifuge** output](#centrifuge-custom-database) of `centrifuge-build`.
+- [**DIAMOND** output](#diamond-custom-database) of `diamond makedb`.
   to generate taxonomic profile. See [DIAMOND documentation](https://github.com/bbuchfink/diamond/wiki/3.-Command-line-options#makedb-options).
-- [**Kaiju** output](#kaiju) of `kaiju-makedb`.
-- [**Kraken2** output](#kraken2) of `kraken2-build` command(s).
-- [**KrakenUniq** output](#krakenuniq) of `krakenuniq-build` command(s).
-- [**MALT** output](#malt) of `malt-build`.
-- [**MetaPhlAn3**](#metaphlan3) generated with `metaphlan --install` or downloaded from links on the [MetaPhlAn3 wiki](https://github.com/biobakery/MetaPhlAn/wiki/MetaPhlAn-3.0#customizing-the-database).
-- [**mOTUs**](#motus) is composed of code and database together. The mOTUs tools
-  [`downloadDB`](https://github.com/motu-tool/mOTUs/blob/master/motus/downloadDB.py)
-  is used to prepare the mOTUs database and create a file with the version information.
-  The database download step can be time consuming and the database will be consisting
-  with same release version of the mOTUs tools. The database for same version tools
-  can be thus reused for multiple runs. Users can download the database once using the script above and
-  specify the path the database to the TSV table provided to `--databases`.
+- [**Kaiju** output](#kaiju-custom-database) of `kaiju-makedb`.
+- [**Kraken2** output](#kraken2-custom-database) of `kraken2-build` command(s).
+- [**KrakenUniq** output](#krakenuniq-custom-database) of `krakenuniq-build` command(s).
+- [**MALT** output](#malt-custom-database) of `malt-build`.
+- [**MetaPhlAn3**](#metaphlan3-custom-database) generated with `metaphlan --install` or downloaded from links on the [MetaPhlAn3 wiki](https://github.com/biobakery/MetaPhlAn/wiki/MetaPhlAn-3.0#customizing-the-database).
+- [**mOTUs**](#motus-custom-database) is composed of code and database together.
 
 ## Running the pipeline
 
@@ -130,7 +124,7 @@ nextflow run nf-core/taxprofiler --input samplesheet.csv --databases databases.c
 
 This will launch the pipeline with the `docker` configuration profile. See below for more information about profiles.
 
-When running nf-core/taxprofiler, every step and tool is 'opt in'. To run a given profiler you must make sure to supply both a database in your `<database>.csv` and supply `--run_<profiler>` flag to your command. Omitting either will result in the profiling tool not executing. If you wish to perform pre-processing (adapter clipping, merge running etc.) or post-processing (visualisation) steps, these are also opt in `--perform_<step>` and in some cases may also require additional files. Please check the parameters tab of this documentation for more information.
+When running nf-core/taxprofiler, every step and tool is 'opt in'. To run a given profiler you must make sure to supply both a database in your `<database>.csv` and supply `--run_<profiler>` flag to your command. Omitting either will result in the profiling tool not executing. If you wish to perform pre-processing (adapter clipping, merge running etc.) or post-processing (visualisation) steps, these are also opt in with a `--perform_<step>` flag. In some cases, the pre- and post-processing steps may also require additional files. Please check the parameters tab of this documentation for more information.
 
 Note that the pipeline will create the following files in your working directory:
 
@@ -158,12 +152,12 @@ nf-core/taxprofiler offers four main preprocessing steps
 
 Raw sequencing read processing in the form of adapter clipping and paired-end read merging can be activated via the `--perform_shortread_qc` or `--perform_longread_qc` flags.
 
-It is highly recommended to run this on raw reads to remove artifacts from sequencing that can cause false positive identification of taxa (e.g. contaminated reference genomes) and/or skews in taxonomic abundance profiles.
+It is highly recommended to run this on raw reads to remove artifacts from sequencing that can cause false positive identification of taxa (e.g. contaminated reference genomes) and/or skews in taxonomic abundance profiles. If you have public data, normally these should have been corrected for however you should still check this is the case.
 
 There are currently two options for short-read preprocessing: [`fastp`](https://github.com/OpenGene/fastp) or [`adapterremoval`](https://github.com/MikkelSchubert/adapterremoval).
 
-For adapter clipping, you can either rely on tool default adapter sequences, or supply your own adapters (`--shortread_qc_adapter1` and `--shortread_qc_adapter2`)
-By default, paired-end merging is not activated and paired-end profiling is performed where supported otherwise pairs will be independently profiled. If paired-end merging is activated you can also specify whether to include unmerged reads in the reads sent for profiling (`--shortread_qc_mergepairs` and `--shortread_qc_includeunmerged`).
+For adapter clipping, you can either rely on the tool's default adapter sequences, or supply your own adapters (`--shortread_qc_adapter1` and `--shortread_qc_adapter2`)
+By default, paired-end merging is not activated. In this case paired-end 'alignment' against the reference databases is performed where supported, and if not, supported pairs will be independently profiled. If paired-end merging is activated you can also specify whether to include unmerged reads in the reads sent for profiling (`--shortread_qc_mergepairs` and `--shortread_qc_includeunmerged`).
 You can also turn off clipping and only perform paired-end merging, if requested. This can be useful when processing data downloaded from the ENA, SRA, or DDBJ (`--shortread_qc_skipadaptertrim`).
 Both tools support length filtering of reads and can be tuned with `--shortread_qc_minlength`. Performing length filtering can be useful to remove short (often low sequencing complexity) sequences that result in unspecific classification and therefore slow down runtime during profiling, with minimal gain.
 
@@ -211,9 +205,11 @@ You can optionally save the FASTQ output of the run merging with the `--save_run
 
 #### Profiling
 
+The following suggestion gives you some tips and suggestions regarding running some of the different tools specifically _within the pipeline_. For advice as to which tool to run in your context, please see the documentation of each tool.
+
 ###### Bracken
 
-It is unclear whether Bracken is suitable for running long reads, as it makes certain assumptions about read lengths. Furthemore, during testing we found issues where Bracken would fail on the long-read test data. Therefore nf-core/taxprofiler does not run Bracken on data specified as being sequenced with `OXFORD_NANOPORE` in the input samplesheet. If you believe this to be wrong, please contact us on the nf-core slack and we can discuss this.
+It is unclear whether Bracken is suitable for running long reads, as it makes certain assumptions about read lengths. Furthemore, during testing we found issues where Bracken would fail on the long-read test data. Therefore nf-core/taxprofiler does not run Bracken on data specified as being sequenced with `OXFORD_NANOPORE` in the input samplesheet. If you would like to change this behaviour, please contact us on the nf-core slack and we can discuss this.
 
 ###### Centrifuge
 
@@ -221,13 +217,13 @@ Centrifuge currently does not accept FASTA files as input, therefore no output w
 
 ###### DIAMOND
 
-DIAMOND only allows output of a single format at a time, therefore parameters such --diamond_save_reads supplied will result in only aligned reads in SAM format will be produced, no taxonomic profiles will be available. Be aware of this when setting up your pipeline runs, depending n your particular use case.
+DIAMOND only allows output of a single format at a time, therefore parameters such --diamond_save_reads supplied will result in only aligned reads in SAM format will be produced, no taxonomic profiles will be available. Be aware of this when setting up your pipeline runs, depending on your particular use case.
 
 ###### MALT
 
 MALT does not support paired-end reads alignment (unlike other tools), therefore nf-core/taxprofiler aligns these as indepenent files if read-merging is skipped. If you skip merging, you can sum or average the results of the counts of the pairs.
 
-Krona can only be run on MALT output if path to Krona taxonomy database supplied to `--krona_taxonomy_directory`. Therefore if you do not supply the a KRona directory, Krona plots will not be produced for MALT.
+Krona can only be run on MALT output if path to Krona taxonomy database supplied to `--krona_taxonomy_directory`. Therefore if you do not supply the a Krona directory, Krona plots will not be produced for MALT.
 
 ###### MetaPhlAn3
 
@@ -443,9 +439,21 @@ NXF_OPTS='-Xms1g -Xmx4g'
 ### Retrieving databases or building custom databases
 
 Here we will give brief guidance on how to build databases for each supported taxonomic profiler. You should always consult the documentation of each toolfor more information, how we provide these as quick reference guides.
-The following tutorial assumes you already have the tool available (e.g. installed locally, or via conda, docker etc.), and you have already downloaded the FASTA files you wish to build into a database.
+The following tutorials assumes you already have the tool available (e.g. installed locally, or via conda, docker etc.), and you have already downloaded the FASTA files you wish to build into a database.
+
+#### Bracken custom database
+
+Bracken does not provide any default databases for profiling, but rather building upon Kraken2 databases. See [Kraken2](#kraken2-custom-database) for more information on how to build these.
+
+In addition to a Kraken2 database, you also need to have the (average) read lengths (in bp) of your sequencing experiment, the K-mer size used to build the Kraken2 database, and Kraken2 available on your machine.
 
-#### Bracken
+```bash
+bracken-build -d <KRAKEN_DB_DIR> -k <KRAKEN_DB_KMER_LENGTH> -l <READLENGTH>
+```
+
+> 🛈 You can speed up database construction by supplying the threads parameter (`-t`).
+
+> 🛈 If you do not have Kraken2 in your `$PATH` you can point to the binary with `-x /<path>/<to>/kraken2`.
 
 <details markdown="1">
 <summary>Expected files in database directory</summary>
@@ -462,32 +470,9 @@ The following tutorial assumes you already have the tool available (e.g. install
 
 </details>
 
-Bracken does not provide any default databases for profiling, but rather building upon Kraken2 databases. See [Kraken2](#kraken2) for more information on how to build these.
-
-In addition to a Kraken2 database, you also need to have the (average) read lengths (in bp) of your sequencing experiment, the K-mer size used to build the Kraken2 database, and Kraken2 available on your machine.
-
-```bash
-bracken-build -d <KRAKEN_DB_DIR> -k <KRAKEN_DB_KMER_LENGTH> -l <READLENGTH>
-```
-
-> 🛈 You can speed up database construction by supplying the threads parameter (`-t`).
-
-> 🛈 If you do not have Kraken2 in your `$PATH` you can point to the binary with `-x /<path>/<to>/kraken2`.
-
 You can follow Bracken [tutorial](https://ccb.jhu.edu/software/bracken/index.shtml?t=manual) for more information. Alternatively, you can use one of the indexes that can be found [here](https://benlangmead.github.io/aws-indexes/k2).
 
-#### Centrifuge
-
-<details markdown="1">
-<summary>Expected files in database directory</summary>
-
-- `centrifuge`
-  - `<database_name>.<number>.cf`
-  - `<database_name>.<number>.cf`
-  - `<database_name>.<number>.cf`
-  - `<database_name>.<number>.cf`
-
-</details>
+#### Centrifuge custom database
 
 Centrifuge allows the user to [build custom databases](https://ccb.jhu.edu/software/centrifuge/manual.shtml#custom-database). The user should download taxonomy files, make custom `seqid2taxid.map` and combine the fasta files together.
 
@@ -504,16 +489,19 @@ cat *.{fa,fna} > input-sequences.fna
 centrifuge-build -p 4 --conversion-table seqid2taxid.map --taxonomy-tree taxonomy/nodes.dmp --name-table taxonomy/names.dmp input-sequences.fna taxprofiler_cf
 ```
 
-#### DIAMOND
-
 <details markdown="1">
 <summary>Expected files in database directory</summary>
 
-- `diamond`
-  - `<database_name>.dmnd`
+- `centrifuge`
+  - `<database_name>.<number>.cf`
+  - `<database_name>.<number>.cf`
+  - `<database_name>.<number>.cf`
+  - `<database_name>.<number>.cf`
 
 </details>
 
+#### DIAMOND custom database
+
 To create a custom database for DIAMOND, the user should download and unzip the NCBI's taxonomy files. The `makedb` needs to be executed afterwards. A detailed description can be found [here](https://github.com/bbuchfink/diamond/wiki/1.-Tutorial)
 
 ```bash
@@ -529,40 +517,38 @@ cat ../raw/*.faa | diamond makedb -d testdb-diamond --taxonmap prot.accession2ta
 rm *dmp *txt *gz *prt *zip
 ```
 
-#### Kaiju
-
 <details markdown="1">
 <summary>Expected files in database directory</summary>
 
-- `kaiju`
-  - `kaiju_db_*.fmi`
-  - `nodes.dmp`
-  - `names.dmp`
+- `diamond`
+  - `<database_name>.dmnd`
 
 </details>
 
-It is possible to [create custom databases](https://github.com/bioinformatics-centre/kaiju#custom-database) with Kaiju.
+#### Kaiju custom database
+
+It is possible to [create custom databases](https://github.com/bioinformatics-centre/kaiju#custom-database) with Kaiju. To build a kaiju database, you need three components: a FASTA file with the protein sequences (the headers are the numeric NCBI taxon identifiers of the protein sequences), number of threads and you need to define the uppercase characters of the standard 20 amino acids.
 
 ```bash
 kaiju-mkbwt -n 5 -a ACDEFGHIKLMNPQRSTVWY -o proteins proteins.faa
 kaiju-mkfmi proteins
 ```
 
-#### Kraken2
-
 <details markdown="1">
 <summary>Expected files in database directory</summary>
 
-- `kraken2`
-  - `opts.k2d`
-  - `hash.k2d`
-  - `taxo.k2d`
+- `kaiju`
+  - `kaiju_db_*.fmi`
+  - `nodes.dmp`
+  - `names.dmp`
 
 </details>
 
-> These are instructions are based on Kraken 2.1.2
-> To build a Kraken2 database you need two components: a taxonomy (consisting of `names.dmp`, `nodes.dmp`, and `*accession2taxid`) files, and the FASTA files you wish to include.
-> To install pull the NCBI taxonomy you can run the following:
+#### Kraken2 custom database
+
+To build a Kraken2 database you need two components: a taxonomy (consisting of `names.dmp`, `nodes.dmp`, and `*accession2taxid`) files, and the FASTA files you wish to include.
+
+To install pulling the NCBI taxonomy, you can run the following:
 
 ```bash
 kraken2-build --download-taxonomy --db <YOUR_DB_NAME>
@@ -591,9 +577,50 @@ kraken2-build --clean--db <YOUR_DB_NAME>
 
 You can then add the <YOUR_DB_NAME>/ path to your nf-core/taxprofiler database input sheet.
 
+<details markdown="1">
+<summary>Expected files in database directory</summary>
+
+- `kraken2`
+  - `opts.k2d`
+  - `hash.k2d`
+  - `taxo.k2d`
+
+</details>
+
 You can follow the Kraken2 [tutorial](https://github.com/DerrickWood/kraken2/blob/master/docs/MANUAL.markdown#custom-databases) for a more detailed description.
 
-#### KrakenUniq
+#### KrakenUniq custom database
+
+KrakenUniq allows to re-use Kraken(2) databases ([see above](#kraken2)) however with some restrictions. KrakenUniq also provides you with the ability to auto-download and build 'standard' NCBI reference datasets.
+
+For any KrakenUniq databases, you require: taxonomy files, the FASTA files you wish to include, a `seqid2mapid` file, and a k-mer length.
+
+To auto-download and build a 'standard' database of Bacteria and Archaea genomes from RefSeq, you can run something like:
+
+```bash
+krakenuniq-download --db <DB_DIR_NAME> taxonomy
+krakenuniq-download --db <DB_DIR_NAME> --threads 10 --dust refseq/bacteria refseq/archaea
+krakenuniq-build --db <DB_DIR_NAME> --kmer-len 31 --threads 10 --taxids-for-genomes --taxids-for-sequences
+```
+
+This will download all the required files for you and build the database.
+
+Alternatively, if you want to build your own you first must make a `seqid2taxid.map` file which is a two column text file containing the FASTA sequence header and the NCBI taxonomy ID for each sequence:
+
+```
+MT192765.1  2697049
+```
+
+Then make a directory (`<DB_DIR_NAME>/`), containing the `seqid2taxid.map` file and your FASTA files in a subdirectory called `library/`. You must then run the `taxonomy` command on the `<DB_DIR_NAME>/` directory, and then build it.
+
+```
+mkdir -p <DB_DIR_NAME>/library
+mv `seqid2taxid.map` <DB_DIR_NAME>/
+mv *.fna  <DB_DIR_NAME>/library
+krakenuniq-build --db <DB_DIR_NAME> --kmer-len 31
+```
+
+> 🛈 You can speed up database construction by supplying the threads parameter (`--threads`).
 
 <details markdown="1">
 <summary>Expected files in database directory</summary>
@@ -607,9 +634,25 @@ You can follow the Kraken2 [tutorial](https://github.com/DerrickWood/kraken2/blo
 
 </details>
 
-For KrakenUniq, we recommend using one of the available databases [here](https://benlangmead.github.io/aws-indexes/k2). But if you wish to build your own, please see the [documentation](https://github.com/fbreitwieser/krakenuniq/blob/master/README.md#custom-databases-with-ncbi-taxonomy).
+Please see the [KrakenUniq documentation](https://github.com/fbreitwieser/krakenuniq#database-building) for more information.
+
+````
+
+#### MALT custom database
+
+MALT does not provide any default databases for profiling, therefore you must build your own.
+You need FASTA files to include, and an (unzipped) [MEGAN mapping 'db' file](https://software-ab.informatik.uni-tuebingen.de/download/megan6/) for your FASTA type.
+In addition to the input directory, output directory, and the mapping file database, you also need to specify the sequence type (DNA or Protein) with the `-s` flag.
+
+```bash
+malt-build -i <path>/<to>/<fasta>/*.{fna,fa,fasta} -a2t <path>/<to>/<map>.db -d <YOUR_DB_NAME>/  -s DNA
+````
+
+You can then add the <YOUR_DB_NAME>/ path to your nf-core/taxprofiler database input sheet.
+
+⚠️ MALT generates very large database files and requires large amounts of RAM. You can reduce both by increasing the step size `-st` (with a reduction in sensitivity).
 
-#### MALT
+> 🛈 MALT-build can be multi-threaded with `-t` to speed up building.
 
 <details markdown="1">
 <summary>Expected files in database directory</summary>
@@ -627,23 +670,9 @@ For KrakenUniq, we recommend using one of the available databases [here](https:/
 
 </details>
 
-MALT does not provide any default databases for profiling, therefore you must build your own.
-You need FASTA files to include, and an (unzipped) [MEGAN mapping 'db' file](https://software-ab.informatik.uni-tuebingen.de/download/megan6/) for your FASTA type.
-In addition to the input directory, output directory, and the mapping file database, you also need to specify the sequence type (DNA or Protein) with the `-s` flag.
-
-```bash
-malt-build -i <path>/<to>/<fasta>/*.{fna,fa,fasta} -a2t <path>/<to>/<map>.db -d <YOUR_DB_NAME>/  -s DNA
-```
-
-You can then add the <YOUR_DB_NAME>/ path to your nf-core/taxprofiler database input sheet.
-
-⚠️ MALT generates very large database files and requires large amounts of RAM. You can reduce both by increasing the step size `-st` (with a reduction in sensitivity).
-
-MALT-build can be multi-threaded with `-t` to speed up building.
-
 See the [MALT manual](https://software-ab.informatik.uni-tuebingen.de/download/malt/manual.pdf) for more information.
 
-#### MetaPhlAn3
+#### MetaPhlAn3 custom database
 
 MetaPhlAn3 provides a prebuilt database of marker genes.
 This must be downloaded by the user. To do this you need to have `MetaPhlAn3` installed on your machine.
@@ -675,7 +704,7 @@ You can then add the `<YOUR_DB_NAME>/` path to your nf-core/taxprofiler database
 
 More information on the MetaPhlAn3 database can be found [here](https://github.com/biobakery/MetaPhlAn/wiki/MetaPhlAn-3.1#installation).
 
-#### mOTUs
+#### mOTUs custom database
 
 mOTUs provides a prebuilt database of marker genes.
 

From d7c4554b1887e9fa74e420208a4b7735d5042c60 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Tue, 20 Dec 2022 15:42:10 +0100
Subject: [PATCH 558/789] Apply review suggestion

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 docs/output.md | 15 ++++++++++++++-
 1 file changed, 14 insertions(+), 1 deletion(-)

diff --git a/docs/output.md b/docs/output.md
index ef04736..c4b04fd 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -67,13 +67,26 @@ fastp can automatically detect adapter sequences for Illumina data.
 
 ### AdapterRemoval
 
+[AdapterRemoval](https://adapterremoval.readthedocs.io/en/stable/) searches for and removes remnant adapter sequences from High-Throughput Sequencing (HTS) data and (optionally) trims low quality bases from the 3' end of reads following adapter removal. It is popular in the field of palaeogenomics. The output logs are stored in the results folder, and as a part of the MultiQC report.
+
 <details markdown="1">
 <summary>Output files</summary>
 
-- `adapterremoval`
+- `adapterremoval/`
+  - `<sample_id>.settings`: AdapterRemoval log file containing general adapter removal, read trimming and merging statistics
+  - `<sample_id>.collapsed.fastq.gz` - read-pairs that merged and did not undergo trimming (only when  `--shortread_qc_mergepairs` supplied)
+  - `<sample_id>.collapsed.truncated.fastq.gz`  - read-pairs that merged underwent quality trimming  (only when  `--shortread_qc_mergepairs` supplied)
+  - `<sample_id>.pair1.truncated.fastq.gz`  - read 1 of pairs that underwent quality trimming
+  - `<sample_id>.pair2.truncated.fastq.gz`  - read 2 of pairs that underwent quality trimming  (and could not merge if  `--shortread_qc_mergepairs` supplied)
+  - `<sample_id>.singleton.truncated.fastq.gz` - orphaned read pairs where one of the pair was discarded
+  - `<sample_id>.discard.fastq.gz` - reads that were discarded due to length or quality filtering
 
 </details>
 
+By default nf-core/taxprofiler will only provide the `.settings` file if AdapterRemoval is selected. You will only find the FASTQ files in the results directory if you provide ` --save_preprocessed_reads` . If this is selected, you may recieve different combinations of FASTQ files for each sample depending on the input types - e.g. whether you have merged or not, or if you're supplying both single- and paired-end reads.
+
+Note that the FASTQ files may _not_ always be the 'final' reads that go into taxprofiling, if you also run other steps such as complexity filtering, host removal, run merging etc..
+
 ### Porechop
 
 <details markdown="1">

From c6710db7a9f1c82cd8ab4d4a863b61ae97c5edd7 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Tue, 20 Dec 2022 15:42:41 +0100
Subject: [PATCH 559/789] Apply review suggestion

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 docs/output.md | 14 +++++++++++---
 1 file changed, 11 insertions(+), 3 deletions(-)

diff --git a/docs/output.md b/docs/output.md
index c4b04fd..372248a 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -99,15 +99,23 @@ Note that the FASTQ files may _not_ always be the 'final' reads that go into tax
 
 ### BBDuk
 
+[BBDuk](https://jgi.doe.gov/data-and-tools/software-tools/bbtools/bb-tools-user-guide/bbduk-guide/) stands for Decontamination Using Kmers. BBDuk was developed to combine most common data-quality-related trimming, filtering, and masking operations into a single high-performance tool.
+
+It is used in nf-core/taxprofiler for complexity filtering using different algorithms. This means that it will remove reads with low sequence diversity (e.g. mono- or dinucleotide repeats).
+
 <details markdown="1">
 <summary>Output files</summary>
 
-- `bbduk`
-  - `<sample_id>.bbduk.log`
-  - `<sample_id>.fastq.gz`
+- `bbduk/`
+  - `<sample_id>.bbduk.log`: log file containing filtering statistics
+  - `<sample_id>.fastq.gz`: resulting FASTQ file without low-complexity reads
 
 </details>
 
+By default nf-core/taxprofiler will only provide the `.log` file if BBDuk is selected as the complexity filtering tool. You will only find the complexity filtered reads in your results directory if you provide ` --save_complexityfiltered_reads` .
+
+Note that the FASTQ file(s) may _not_ always be the 'final' reads that go into taxprofiling, if you also run other steps such as host removal, run merging etc..
+
 ### PRINSEQ++
 
 <details markdown="1">

From b0a6bdee5a58fc402af3874ee843a86b7ffa4feb Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Tue, 20 Dec 2022 15:43:45 +0100
Subject: [PATCH 560/789] Apply review suggestion

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 docs/output.md | 12 +++++++++++-
 1 file changed, 11 insertions(+), 1 deletion(-)

diff --git a/docs/output.md b/docs/output.md
index 372248a..65b9316 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -118,13 +118,23 @@ Note that the FASTQ file(s) may _not_ always be the 'final' reads that go into t
 
 ### PRINSEQ++
 
+[PRINSEQ++](https://github.com/Adrian-Cantu/PRINSEQ-plus-plus) is a C++ implementation of the [prinseq-lite.pl](https://prinseq.sourceforge.net/) program. It can be used to filter, reformat or trim genomic and metagenomic sequence data.
+
+It is used in nf-core/taxprofiler for complexity filtering using different algorithms. This means that it will remove reads with low sequence diversity (e.g. mono- or dinucleotide repeats).
+
 <details markdown="1">
 <summary>Output files</summary>
 
-- `prinseq++`
+- `prinseqplusplus/`
+  - `<sample_id>.log`: log file containing number of reads. Row IDs correspond to: `min_len, max_len, min_gc, max_gc, min_qual_score, min_qual_mean, ns_max_n, noiupac, derep, lc_entropy, lc_dust, trim_tail_left, trim_tail_right, trim_qual_left, trim_qual_right, trim_left, trim_right`
+  - `<sample_id>_good_out.fastq.gz`:  resulting FASTQ file without low-complexity reads
 
 </details>
 
+By default nf-core/taxprofiler will only provide the `.log` file if PRINSEQ++ is selected as the complexity filtering tool. You will only find the complexity filtered FASTQ files in your results directory if you supply ` --save_complexityfiltered_reads` .
+
+Note that the FASTQ file(s) may _not_ always be the 'final' reads that go into taxprofiling, if you also run other steps such as host removal, run merging etc..
+
 ### Filtlong
 
 <details markdown="1">

From af8fd18d973ea1505be5cb0ed01e64aa553f0949 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Tue, 20 Dec 2022 15:44:35 +0100
Subject: [PATCH 561/789] Update docs/output.md

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 docs/output.md | 16 ++++++++++++----
 1 file changed, 12 insertions(+), 4 deletions(-)

diff --git a/docs/output.md b/docs/output.md
index 65b9316..58bad29 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -148,16 +148,24 @@ Note that the FASTQ file(s) may _not_ always be the 'final' reads that go into t
 
 ### Bowtie2
 
+[Bowtie 2](https://bowtie-bio.sourceforge.net/bowtie2/index.shtml) is an ultrafast and memory-efficient tool for aligning sequencing reads to long reference sequences. It is particularly good at aligning reads of about 50 up to 100s or 1,000s of characters, and particularly good at aligning to relatively long (e.g. mammalian) genomes.
+
+It is used with nf-core/taxprofiler to allow removal of 'host' (e.g. human) or other possible contaminant reads (e.g. Phi X) from the FASTQ files prior to profiling.
+
 <details markdown="1">
 <summary>Output files</summary>
 
-- `bowtie2`
-  - `<sample_id>.bam`
-  - `<sample_id>.bowtie2.log`
-  - `<sample_id>.unmapped.fastq.gz`
+- `bowtie2/`
+  - `<sample_id>.bam`: reads that aligned against the user-supplied reference genome
+  - `<sample_id>.bowtie2.log`: log file about the mapped reads
+  - `<sample_id>.unmapped.fastq.gz`: the off-target reads from the mapping that is used in downstream steps.
 
 </details>
 
+By default nf-core/taxprofiler will only provide the `.log` file if host removal is turned on. You will only see the mapped (host) reads BAM file or the off-target reads in FASTQ format in your results directory if you provide `--save_hostremoval_mapped`  and ` --save_hostremoval_unmapped` respectively.
+
+Note that the FASTQ file(s) may _not_ always be the 'final' reads that go into taxprofiling, if you also run other steps such as host removal, run merging etc..
+
 ### minimap2
 
 <details markdown="1">

From 3c33ba66ca7085b3c73e787cf3bc608f6b2bb7bf Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Tue, 20 Dec 2022 17:32:13 +0100
Subject: [PATCH 562/789] Apply review suggestion

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 docs/output.md | 18 +++++++++++++-----
 1 file changed, 13 insertions(+), 5 deletions(-)

diff --git a/docs/output.md b/docs/output.md
index 58bad29..b9a7a64 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -188,17 +188,25 @@ Note that the FASTQ file(s) may _not_ always be the 'final' reads that go into t
 
 ### Kraken2
 
+[Kraken](https://ccb.jhu.edu/software/kraken2/) is a taxonomic sequence classifier that assigns taxonomic labels to DNA sequences. Kraken examines the k-mers within a query sequence and uses the information within those k-mers to query a database. That database maps -mers to the lowest common ancestor (LCA) of all genomes known to contain a given k-mer.
+
 <details markdown="1">
 <summary>Output files</summary>
 
-- `kraken2`
-  - `<sample_id>.classified.fastq.gz`
-  - `<sample_id>.unclassified.fastq.gz`
-  - `<sample_id>.report.txt`
-  - `<sample_id>.classifiedreads.txt`
+- `kraken2/`
+  - `<db_name>_combined_reports.txt`: A combined profile of all samples aligned to a given database (as generated by `krakentools`)
+  - <db_name>/
+    - `<sample_id>_<db_name>.classified.fastq.gz`: FASTQ file containing all reads that had a hit against a reference in the database for a given sample
+    - `<sample_id>_<db_name>.unclassified.fastq.gz`: FASTQ file containing all reads that did not have a hit in the database for a given sample
+    - `<sample_id>_<db_name>.report.txt`: A Kraken2 report that summarises the fraction abundance, taxonomic ID, number of Kmers, taxonomic path of all the hits in the Kraken2 run for a given sample
+    - `<sample_id>_<db_name>.classifiedreads.txt`: A list of read IDs and the hits each read had against each database for a given sample
 
 </details>
 
+The main taxonomic profiling file from Kraken2 is the `_combined_reports.txt` or `*report.txt` file. The former provides you the broadest over view of the taxonomic profiling results across all samples against a single databse, where you get two columns for each sample e.g. `2_all` and `2_lvl`, as well as a summarised column summing up across all samples `tot_all` and `tot_lvl`. The latter gives you the most information for a single sample.  The report file is also used for the taxpasta step.
+
+You will only recieve the FASTQs and `*classifiedreads.txt` file if you supply `--kraken2_save_reads` and/or `--kraken2_save_readclassification` parameters to the pipeline.
+
 ### KrakenUniq
 
 <details markdown="1">

From 964771c5f22654413bd31d0fcddb5846d456b51f Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Tue, 20 Dec 2022 17:33:04 +0100
Subject: [PATCH 563/789] Update docs/output.md

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 docs/output.md | 21 ++++++++++++++-------
 1 file changed, 14 insertions(+), 7 deletions(-)

diff --git a/docs/output.md b/docs/output.md
index b9a7a64..12a4194 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -209,19 +209,26 @@ You will only recieve the FASTQs and `*classifiedreads.txt` file if you supply `
 
 ### KrakenUniq
 
+[KrakenUniq](https://github.com/fbreitwieser/krakenuniq) (formerly KrakenHLL) is an extenson to the fast k-mer-based classification [Kraken](https://github.com/DerrickWood/kraken) with an efficient algorithm for additionally assessing the coverage of unique k-mers found in each species in a dataset.
+
 <details markdown="1">
 <summary>Output files</summary>
 
-- `krakenuniq`
+- `krakenuniq/`
+  - <db_name>/
+    - `<sample_id>_<db_name>.classified.fastq.gz`: FASTQ file containing all reads that had a hit against a reference in the database for a given sample
+    - `<sample_id>_<db_name>.unclassified.fastq.gz`: FASTQ file containing all reads that did not have a hit in the database for a given sample
+    - `<sample_id>_<db_name>.report.txt`: A Kraken2-style report that summarises the fraction abundance, taxonomic ID, number of Kmers, taxonomic path of all the hits, with an additional column for k-mer coverage, that allows for more accurate distinguishing between false-positive/true-postitive hits
+    - `<sample_id>_<db_name>.classifiedreads.txt`: A list of read IDs and the hits each read had against each database for a given sample
 
-  - `<sample_id>.classified.fastq.gz`
-  - `<sample_id>.krakenuniq.classified.txt`
-  - `<sample_id>.krakenuniq.report.txt`
-  - `<sample_id>.unclassified.fastq.gz`
+</details>
 
-  ## interleaved?
+The main taxonomic profiling file from KrakenUniq is the `*report.txt` file. This is an extension of the Kraken2 report with the additional k-mer coverage information that provides more information about the accuracy of hits.
+
+> ⚠️ The output system of KrakenUniq can result in other `stdout` or `stderr` logging information being saved in the report file, therefore you must check your report files before downstream use!
+
+You will only receive the FASTQs and `*classifiedreads.txt` file if you supply `--krakenuniq_save_reads` and/or `--krakenuniq_save_readclassification` parameters to the pipeline.
 
-</details>
 
 ### Centrifuge
 

From af7468522ac1fa635c8a9d8a99fc1f4e8d705c95 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Tue, 20 Dec 2022 17:33:18 +0100
Subject: [PATCH 564/789] Apply review suggestion

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 docs/output.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/output.md b/docs/output.md
index 12a4194..790c0e6 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -253,7 +253,7 @@ You will only receive the FASTQs and `*classifiedreads.txt` file if you supply `
 
 </details>
 
-### Diamond
+### DIAMOND
 
 <details markdown="1">
 <summary>Output files</summary>

From 0cbd0a80137389228d2c9ed6e96c82e7f7aa60c9 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Tue, 20 Dec 2022 17:33:35 +0100
Subject: [PATCH 565/789] Apply review suggestion

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 docs/output.md | 1 +
 1 file changed, 1 insertion(+)

diff --git a/docs/output.md b/docs/output.md
index 790c0e6..7249c62 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -23,6 +23,7 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d
 - [Bowtie2](#bowtie2) - Host removal for Illumina reads
 - [minimap2](#minimap2) - Host removal for Nanopore reads
 - [samtoolsstats](#samtoolsstats) - Statistics from host removal
+- [Bracken](#bracken) - Taxonomic classifier using k-mers and abundance estimations
 - [Kraken2](#kraken2) - Taxonomic classifier using exact k-mer matches
 - [KrakenUniq](#krakenuniq) - Taxonomic classifier that combines the k-mer-based classification and the number of unique k-mers found in each species
 - [Bracken](#bracken) -

From 2e08c873a0f0cc6011a134a7f34c28f6bf4c7e03 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Tue, 20 Dec 2022 17:34:19 +0100
Subject: [PATCH 566/789] Apply review suggestion

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 docs/output.md | 18 ++++++++++++++++++
 1 file changed, 18 insertions(+)

diff --git a/docs/output.md b/docs/output.md
index 7249c62..1a3ce7d 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -187,6 +187,24 @@ Note that the FASTQ file(s) may _not_ always be the 'final' reads that go into t
 
 </details>
 
+### Bracken
+
+[Bracken](https://ccb.jhu.edu/software/bracken/) (Bayesian Reestimation of Abundance with KrakEN) is a highly accurate statistical method that computes the abundance of species in DNA sequences from a metagenomics sample. Braken uses the taxonomy labels assigned by Kraken, a highly accurate metagenomics classification algorithm, to estimate the number of reads originating from each species present in a sample.
+
+> 🛈 The first step of using Bracken requires running Kraken2, therefore the initial results before abundance estimation will be found in `<your_results>/kraken2/<your_bracken_db_name>`.
+
+<details markdown="1">
+<summary>Output files</summary>
+
+- `kraken2/`
+  - `bracken_<db_name>_combined_reports.txt`: combined bracken results as output from Bracken's `combine_bracken_outputs.py` script
+  - `<db_name>/`
+    - `<sample>_<db_name>.tsv: TSV file containing per-sample summary of Bracken results with abundance information
+
+</details>
+
+The main taxonomic profiling file from KrakenUniq is the `*.tsv` file. This provides the basic results from Kraken2 but with the corrected abundance information. 
+
 ### Kraken2
 
 [Kraken](https://ccb.jhu.edu/software/kraken2/) is a taxonomic sequence classifier that assigns taxonomic labels to DNA sequences. Kraken examines the k-mers within a query sequence and uses the information within those k-mers to query a database. That database maps -mers to the lowest common ancestor (LCA) of all genomes known to contain a given k-mer.

From 24a8da2086151c21a1cdfeda9575b898fa9371ef Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Tue, 20 Dec 2022 19:59:55 +0100
Subject: [PATCH 567/789] Fix linting

---
 nextflow_schema.json | 9 +++++++++
 1 file changed, 9 insertions(+)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 0c7ce3d..c608d90 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -712,6 +712,15 @@
                     "help_text": "If using a reference genome configured in the pipeline using iGenomes, use this parameter to give the ID for the reference. This is then used to build the full paths for all required reference genome files e.g. `--genome GRCh38`. \n\nSee the [nf-core website docs](https://nf-co.re/usage/reference_genomes) for more details.",
                     "hidden": true
                 },
+                "fasta": {
+                    "type": "string",
+                    "description": "Path to FASTA genome file.",
+                    "help_text": "This parameter is *mandatory* if `--genome` is not specified. If you don't have a BWA index available this will be generated for you automatically. Combine with `--save_reference` to save BWA index for future runs.",
+                    "pattern": "^\\\\S+\\\\.fn?a(sta)?(\\\\.gz)?$",
+                    "format": "file-path",
+                    "mimetype": "text/plain",
+		    "fa_icon": "far fa-file-code"
+                },
                 "igenomes_base": {
                     "type": "string",
                     "format": "directory-path",

From 612f532fb24a52c46261c45151133928ee2939c6 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 20 Dec 2022 20:08:12 +0100
Subject: [PATCH 568/789] Bump KrakenUniq version

---
 modules.json                                           | 2 +-
 modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf | 6 +++---
 2 files changed, 4 insertions(+), 4 deletions(-)

diff --git a/modules.json b/modules.json
index 0a43696..134caa0 100644
--- a/modules.json
+++ b/modules.json
@@ -118,7 +118,7 @@
                     },
                     "krakenuniq/preloadedkrakenuniq": {
                         "branch": "master",
-                        "git_sha": "05649975c6611c6e007537a7984e186e12ae03af",
+                        "git_sha": "a6eb17f65b3ee5761c25c075a6166c9f76733cee",
                         "installed_by": ["modules"]
                     },
                     "krona/ktimporttaxonomy": {
diff --git a/modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf b/modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf
index 0ecacee..0cb402f 100644
--- a/modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf
+++ b/modules/nf-core/krakenuniq/preloadedkrakenuniq/main.nf
@@ -2,10 +2,10 @@ process KRAKENUNIQ_PRELOADEDKRAKENUNIQ {
     tag "$meta.id"
     label 'process_high'
 
-    conda (params.enable_conda ? "bioconda::krakenuniq=1.0.0" : null)
+    conda "bioconda::krakenuniq=1.0.2"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/krakenuniq:1.0.0--pl5321h19e8d03_0':
-        'quay.io/biocontainers/krakenuniq:1.0.0--pl5321h19e8d03_0' }"
+        'https://depot.galaxyproject.org/singularity/krakenuniq:1.0.2--pl5321h19e8d03_0':
+        'quay.io/biocontainers/krakenuniq:1.0.2--pl5321h19e8d03_0' }"
 
     input:
     tuple val(meta), path(fastqs)

From 1706555eff392e5d4caf7a8fbe11a7fd317402e7 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Tue, 20 Dec 2022 20:10:05 +0100
Subject: [PATCH 569/789] Prettier

---
 nextflow_schema.json | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index c608d90..6d48671 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -719,7 +719,7 @@
                     "pattern": "^\\\\S+\\\\.fn?a(sta)?(\\\\.gz)?$",
                     "format": "file-path",
                     "mimetype": "text/plain",
-		    "fa_icon": "far fa-file-code"
+                    "fa_icon": "far fa-file-code"
                 },
                 "igenomes_base": {
                     "type": "string",

From 8404c28d0857087b6f0084631e49a589a0e722ed Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Tue, 20 Dec 2022 20:23:26 +0100
Subject: [PATCH 570/789] Review suggestion

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 docs/output.md | 1 -
 1 file changed, 1 deletion(-)

diff --git a/docs/output.md b/docs/output.md
index 1a3ce7d..6b6c43a 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -26,7 +26,6 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d
 - [Bracken](#bracken) - Taxonomic classifier using k-mers and abundance estimations
 - [Kraken2](#kraken2) - Taxonomic classifier using exact k-mer matches
 - [KrakenUniq](#krakenuniq) - Taxonomic classifier that combines the k-mer-based classification and the number of unique k-mers found in each species
-- [Bracken](#bracken) -
 - [Centrifuge](#centrifuge) - Taxonomic classifier that uses a novel indexing scheme based on the Burrows-Wheeler transform (BWT) and the Ferragina-Manzini (FM) index.
 - [Kaiju](#kaiju) - Taxonomic classifier that finds maximum (in-)exact matches on the protein-level.
 - [Diamond](#diamond) - Sequence aligner for protein and translated DNA searches.

From fb9de1e2121f5ec3704709a23ed287620b9707fa Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Tue, 20 Dec 2022 20:23:32 +0100
Subject: [PATCH 571/789] Update docs/output.md

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 docs/output.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/output.md b/docs/output.md
index 6b6c43a..006231e 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -198,7 +198,7 @@ Note that the FASTQ file(s) may _not_ always be the 'final' reads that go into t
 - `kraken2/`
   - `bracken_<db_name>_combined_reports.txt`: combined bracken results as output from Bracken's `combine_bracken_outputs.py` script
   - `<db_name>/`
-    - `<sample>_<db_name>.tsv: TSV file containing per-sample summary of Bracken results with abundance information
+    - `<sample>_<db_name>.tsv`: TSV file containing per-sample summary of Bracken results with abundance information
 
 </details>
 

From 18c15f8a789630944b4b6ff09279a12b33a579e0 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Tue, 20 Dec 2022 20:23:38 +0100
Subject: [PATCH 572/789] Update docs/output.md

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 docs/output.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/output.md b/docs/output.md
index 006231e..f4ce4a2 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -213,7 +213,7 @@ The main taxonomic profiling file from KrakenUniq is the `*.tsv` file. This prov
 
 - `kraken2/`
   - `<db_name>_combined_reports.txt`: A combined profile of all samples aligned to a given database (as generated by `krakentools`)
-  - <db_name>/
+  - `<db_name>/`
     - `<sample_id>_<db_name>.classified.fastq.gz`: FASTQ file containing all reads that had a hit against a reference in the database for a given sample
     - `<sample_id>_<db_name>.unclassified.fastq.gz`: FASTQ file containing all reads that did not have a hit in the database for a given sample
     - `<sample_id>_<db_name>.report.txt`: A Kraken2 report that summarises the fraction abundance, taxonomic ID, number of Kmers, taxonomic path of all the hits in the Kraken2 run for a given sample

From 1279437aa105f8fdf5feb73f57ccf66aa06b1702 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Tue, 20 Dec 2022 21:48:08 +0100
Subject: [PATCH 573/789] Apply suggestions from code review

---
 nextflow.config      | 2 +-
 nextflow_schema.json | 9 ---------
 2 files changed, 1 insertion(+), 10 deletions(-)

diff --git a/nextflow.config b/nextflow.config
index acfe2a0..f5ab538 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -38,7 +38,7 @@ params {
     version                    = false
     validate_params            = true
     show_hidden_params         = false
-    schema_ignore_params       = 'genomes'
+    schema_ignore_params       = 'genomes,fasta'
 
 
     // Config options
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 6d48671..0c7ce3d 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -712,15 +712,6 @@
                     "help_text": "If using a reference genome configured in the pipeline using iGenomes, use this parameter to give the ID for the reference. This is then used to build the full paths for all required reference genome files e.g. `--genome GRCh38`. \n\nSee the [nf-core website docs](https://nf-co.re/usage/reference_genomes) for more details.",
                     "hidden": true
                 },
-                "fasta": {
-                    "type": "string",
-                    "description": "Path to FASTA genome file.",
-                    "help_text": "This parameter is *mandatory* if `--genome` is not specified. If you don't have a BWA index available this will be generated for you automatically. Combine with `--save_reference` to save BWA index for future runs.",
-                    "pattern": "^\\\\S+\\\\.fn?a(sta)?(\\\\.gz)?$",
-                    "format": "file-path",
-                    "mimetype": "text/plain",
-                    "fa_icon": "far fa-file-code"
-                },
                 "igenomes_base": {
                     "type": "string",
                     "format": "directory-path",

From ba43b0daa450432ef3b492cfb34b2f9fbeaf2a17 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Wed, 21 Dec 2022 09:26:38 +0100
Subject: [PATCH 574/789] Update docs/usage.md

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 docs/usage.md | 1 +
 1 file changed, 1 insertion(+)

diff --git a/docs/usage.md b/docs/usage.md
index c61c580..c2dc6e9 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -617,6 +617,7 @@ Then make a directory (`<DB_DIR_NAME>/`), containing the `seqid2taxid.map` file
 mkdir -p <DB_DIR_NAME>/library
 mv `seqid2taxid.map` <DB_DIR_NAME>/
 mv *.fna  <DB_DIR_NAME>/library
+krakenuniq-download --db <DB_DIR_NAME>  taxonomy
 krakenuniq-build --db <DB_DIR_NAME> --kmer-len 31
 ```
 

From d6e0d404e38b0cb1ce25581a0db6c7ad52391686 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Thu, 22 Dec 2022 09:18:00 +0100
Subject: [PATCH 575/789] Update docs/usage.md

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 docs/usage.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/usage.md b/docs/usage.md
index c2dc6e9..7b451e7 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -438,7 +438,7 @@ NXF_OPTS='-Xms1g -Xmx4g'
 
 ### Retrieving databases or building custom databases
 
-Here we will give brief guidance on how to build databases for each supported taxonomic profiler. You should always consult the documentation of each toolfor more information, how we provide these as quick reference guides.
+Here we will give brief guidance on how to build databases for each supported taxonomic profiler. You should always consult the documentation of each tool for more information, here we provide these as quick reference guides (with no guarantee they are up to date).
 The following tutorials assumes you already have the tool available (e.g. installed locally, or via conda, docker etc.), and you have already downloaded the FASTA files you wish to build into a database.
 
 #### Bracken custom database

From 29978d83b9177942c00d89b175f39053c99aa39c Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Thu, 22 Dec 2022 11:03:49 +0100
Subject: [PATCH 576/789] Update centrifuge section

---
 docs/usage.md | 4 +++-
 1 file changed, 3 insertions(+), 1 deletion(-)

diff --git a/docs/usage.md b/docs/usage.md
index 7b451e7..e64726e 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -474,7 +474,9 @@ You can follow Bracken [tutorial](https://ccb.jhu.edu/software/bracken/index.sht
 
 #### Centrifuge custom database
 
-Centrifuge allows the user to [build custom databases](https://ccb.jhu.edu/software/centrifuge/manual.shtml#custom-database). The user should download taxonomy files, make custom `seqid2taxid.map` and combine the fasta files together.
+Centrifuge allows the user to [build custom databases](https://ccb.jhu.edu/software/centrifuge/manual.shtml#custom-database). You need four file: a tab-separated file mapping sequence IDs to taxonomy IDs (`--conversion-table`), a \t|\t-separated file mapping taxonomy IDs to their parents and rank, up to the root of the tree (`--taxonomy-tree`), a '|'-separated file mapping taxonomy IDs to a name (`--name-table`) and the reference sequences.
+
+ The user should download taxonomy files, make custom `seqid2taxid.map` and combine the fasta files together.
 
 ```bash
 centrifuge-download -o taxonomy taxonomy

From 1eeb3b337aaa557e3278e86cd4f47bcfd2bc4879 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Thu, 22 Dec 2022 11:07:09 +0100
Subject: [PATCH 577/789] Update usage.md

---
 docs/usage.md | 11 +++++------
 1 file changed, 5 insertions(+), 6 deletions(-)

diff --git a/docs/usage.md b/docs/usage.md
index e64726e..e51656d 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -474,19 +474,18 @@ You can follow Bracken [tutorial](https://ccb.jhu.edu/software/bracken/index.sht
 
 #### Centrifuge custom database
 
-Centrifuge allows the user to [build custom databases](https://ccb.jhu.edu/software/centrifuge/manual.shtml#custom-database). You need four file: a tab-separated file mapping sequence IDs to taxonomy IDs (`--conversion-table`), a \t|\t-separated file mapping taxonomy IDs to their parents and rank, up to the root of the tree (`--taxonomy-tree`), a '|'-separated file mapping taxonomy IDs to a name (`--name-table`) and the reference sequences.
+Centrifuge allows the user to [build custom databases](https://ccb.jhu.edu/software/centrifuge/manual.shtml#custom-database). The user should download taxonomy files, make custom `seqid2taxid.map` and combine the fasta files together. You need four components: a tab-separated file mapping sequence IDs to taxonomy IDs (`--conversion-table`), a \t|\t-separated file mapping taxonomy IDs to their parents and rank, up to the root of the tree (`--taxonomy-tree`), a '|'-separated file mapping taxonomy IDs to a name (`--name-table`) and the reference sequences.
 
- The user should download taxonomy files, make custom `seqid2taxid.map` and combine the fasta files together.
+An example of custom `seqid2taxid.map`:
 
-```bash
-centrifuge-download -o taxonomy taxonomy
-
-## custom seqid2taxid.map
 NC_001133.9    4392
 NC_012920.1    9606
 NC_001134.8    4392
 NC_001135.5    4392
 
+```bash
+centrifuge-download -o taxonomy taxonomy
+
 cat *.{fa,fna} > input-sequences.fna
 centrifuge-build -p 4 --conversion-table seqid2taxid.map --taxonomy-tree taxonomy/nodes.dmp --name-table taxonomy/names.dmp input-sequences.fna taxprofiler_cf
 ```

From ec9c7cfedc7bf3b16acc27827e8bc992f2f08840 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Thu, 22 Dec 2022 11:10:54 +0100
Subject: [PATCH 578/789] Prettier

---
 docs/usage.md | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/docs/usage.md b/docs/usage.md
index d4eb5db..9539a5a 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -471,10 +471,10 @@ Centrifuge allows the user to [build custom databases](https://ccb.jhu.edu/softw
 
 An example of custom `seqid2taxid.map`:
 
-NC_001133.9    4392
-NC_012920.1    9606
-NC_001134.8    4392
-NC_001135.5    4392
+NC_001133.9 4392
+NC_012920.1 9606
+NC_001134.8 4392
+NC_001135.5 4392
 
 ```bash
 centrifuge-download -o taxonomy taxonomy

From 85906ab1cb2d82a8deff4b4775ea749fa654113c Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Fri, 23 Dec 2022 11:25:57 +0100
Subject: [PATCH 579/789] Optional untar on dbs

---
 subworkflows/local/db_check.nf | 12 +++++++-----
 1 file changed, 7 insertions(+), 5 deletions(-)

diff --git a/subworkflows/local/db_check.nf b/subworkflows/local/db_check.nf
index 14078d9..fdab7ae 100644
--- a/subworkflows/local/db_check.nf
+++ b/subworkflows/local/db_check.nf
@@ -2,7 +2,7 @@
 // Check input samplesheet and get read channels
 //
 
-include { UNTAR            } from '../../modules/nf-core/untar/main'
+include { UNTAR                  } from '../../modules/nf-core/untar/main'
 
 workflow DB_CHECK {
     take:
@@ -10,6 +10,8 @@ workflow DB_CHECK {
 
     main:
     ch_versions = Channel.empty()
+    ch_dbs_for_untar = Channel.empty()
+    ch_final_dbs = Channel.empty()
 
     // special check to check _between_ rows, for which we must group rows together
     // note: this will run in parallel to within-row validity, but we can assume this will run faster thus will fail first
@@ -37,11 +39,11 @@ workflow DB_CHECK {
             skip: true
         }
 
-    // TODO Filter to only run UNTAR on DBs of tools actually using?
-    // TODO make optional whether to save
-    UNTAR ( ch_dbs_for_untar.untar )
+    //Filter the channel to run untar on DBs of tools actually using
+    ch_input_untar = ch_dbs_for_untar.untar.dump()
+                    .filter {  params.run_kraken2 && it[0]['tool'] == 'kraken2' || params.run_centrifuge && it[0]['tool'] == 'centrifuge' || params.run_bracken && it[0]['tool'] == 'bracken' || params.run_kaiju && it[0]['tool'] == 'kaiju' || params.run_krakenuniq && it [0]['tool'] == 'krakenuniq' || params.run_malt && it[0]['tool'] == 'malt' || params.run_metaphlan3 && it[0]['tool'] == 'metaphlan3' }
+    UNTAR (ch_input_untar)
     ch_versions = ch_versions.mix(UNTAR.out.versions.first())
-
     ch_final_dbs = ch_dbs_for_untar.skip.mix( UNTAR.out.untar )
 
     emit:

From 41c1ae9d1a900b40c8e185bd75c66567a81ccf2c Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Fri, 23 Dec 2022 12:20:37 +0100
Subject: [PATCH 580/789] Commit suggestion

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 subworkflows/local/db_check.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/db_check.nf b/subworkflows/local/db_check.nf
index fdab7ae..a89b519 100644
--- a/subworkflows/local/db_check.nf
+++ b/subworkflows/local/db_check.nf
@@ -2,7 +2,7 @@
 // Check input samplesheet and get read channels
 //
 
-include { UNTAR                  } from '../../modules/nf-core/untar/main'
+include { UNTAR } from '../../modules/nf-core/untar/main'
 
 workflow DB_CHECK {
     take:

From 6ebfdcd017847a37512259faeecb00fc9cf37cb3 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Fri, 23 Dec 2022 13:40:22 +0100
Subject: [PATCH 581/789] Add path parameters

---
 workflows/taxprofiler.nf | 8 +++++---
 1 file changed, 5 insertions(+), 3 deletions(-)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index e398f6e..aa83a24 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -11,9 +11,11 @@ WorkflowTaxprofiler.initialise(params, log)
 
 // TODO nf-core: Add all file path parameters for the pipeline to the list below
 // Check input path parameters to see if they exist
-def checkPathParamList = [ params.input, params.databases, params.hostremoval_reference,
-                            params.shortread_hostremoval_index, params.multiqc_config,
-                            params.shortread_qc_adapterlist
+def checkPathParamList = [ params.input, params.genome, params.databases,
+                            params.outdir, params.longread_hostremoval_index
+                            params.hostremoval_reference, params.shortread_hostremoval_index,
+                            params.multiqc_config, params.shortread_qc_adapterlist,
+                            params.krona_taxonomy_directory
                         ]
 for (param in checkPathParamList) { if (param) { file(param, checkIfExists: true) } }
 

From e5867476802303b08b0ad6a367195f5459259c9a Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Fri, 23 Dec 2022 15:06:26 +0100
Subject: [PATCH 582/789] Add missing comma to list

---
 workflows/taxprofiler.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index aa83a24..c00c609 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -12,7 +12,7 @@ WorkflowTaxprofiler.initialise(params, log)
 // TODO nf-core: Add all file path parameters for the pipeline to the list below
 // Check input path parameters to see if they exist
 def checkPathParamList = [ params.input, params.genome, params.databases,
-                            params.outdir, params.longread_hostremoval_index
+                            params.outdir, params.longread_hostremoval_index,
                             params.hostremoval_reference, params.shortread_hostremoval_index,
                             params.multiqc_config, params.shortread_qc_adapterlist,
                             params.krona_taxonomy_directory

From acba31a8d67c98f16d0241ebc45d9a55282bb8d2 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Fri, 23 Dec 2022 15:08:01 +0100
Subject: [PATCH 583/789] Update taxprofiler.nf

---
 workflows/taxprofiler.nf | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index c00c609..07798ea 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -15,7 +15,8 @@ def checkPathParamList = [ params.input, params.genome, params.databases,
                             params.outdir, params.longread_hostremoval_index,
                             params.hostremoval_reference, params.shortread_hostremoval_index,
                             params.multiqc_config, params.shortread_qc_adapterlist,
-                            params.krona_taxonomy_directory
+                            params.krona_taxonomy_directory,
+                            params.multiqc_logo, params.multiqc_methods_description
                         ]
 for (param in checkPathParamList) { if (param) { file(param, checkIfExists: true) } }
 

From ab0c62bdc152f9ed7d1642305979ecaa3f95069b Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 23 Dec 2022 16:23:29 +0100
Subject: [PATCH 584/789] Post-release tweaks to usage.md

---
 docs/usage.md            | 216 +++++++++++++++++++++++++--------------
 workflows/taxprofiler.nf |   2 +-
 2 files changed, 138 insertions(+), 80 deletions(-)

diff --git a/docs/usage.md b/docs/usage.md
index 9539a5a..55ed43c 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -6,14 +6,25 @@
 
 ## Introduction
 
-<!-- TODO nf-core: Add documentation about anything specific to running your pipeline. For general topics, please point to (and add to) the main nf-core website. -->
+nf-core/taxprofiler is a pipeline for highly-parallelised taxonomic profiling of shotgun metagenomic data across multiple tools simultaneously. In addition to multiple profiling tools, at the same time it allows you to performing profiling across multiple databases and settings per tool, as well as produces standardised output tables to allow immediate cross comparison of results between tools.
+
+To run nf-core/taxprofiler, at a minimum two you require two inputs:
+
+- an sequenceing read samplesheet
+- a database samplesheet
+
+Both contain metadata and paths to the data of your input samples and database.
+
+When running nf-core/taxprofiler, every step and tool is 'opt in'. To run a given profiler you must make sure to supply both a database in your `<database>.csv` and supply `--run_<profiler>` flag to your command. Omitting either will result in the profiling tool not executing.
+
+nf-core/profiler also includes optional pre-processing (adapter clipping, merge running etc.) or post-processing (visualisation) steps. These are also opt in with a `--perform_<step>` flag. In some cases, the pre- and post-processing steps may also require additional files. Please check the parameters tab of this documentation for more information.
+
+Please see the rest of this page for information about how to prepare input samplesheets and databases and how to run Nextflow pipelines. See the [parameters](https://nf-co.re/taxprofiler/parameters) documentation for more information about specific options the pipeline also offers.
 
 ## Samplesheet inputs
 
 nf-core/taxprofiler can accept as input raw or preprocessed single- or paired-end short-read (e.g. Illumina) FASTQ files, long-read FASTQ files (e.g. Oxford Nanopore), or FASTA sequences (available for a subset of profilers).
 
-> ⚠️ Input FASTQ and FASTA files _must_ be gzipped
-
 You will need to create a samplesheet with information about the samples you would like to analyse before running the pipeline. Use this parameter to specify its location. It has to be a comma-separated file with 6 columns, and a header row as shown in the examples below. Furthermother, nf-core/taxprofiler also requires a second comma-separated file of 3 columns with a header row as in the examples below.
 
 This samplesheet is then specified on the command line as follows:
@@ -51,6 +62,8 @@ sample,run_accession,instrument_platform,fastq_1,fastq_2,fasta
 ERR3201952,ERR3201952,OXFORD_NANOPORE,/<path>/<to>/fastq/ERR3201952.fastq.gz,,
 ```
 
+> ⚠️ Input FASTQ and FASTA files _must_ be gzipped
+
 | Column                | Description                                                                                                                                                                                              |
 | --------------------- | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
 | `sample`              | Unique sample name [required].                                                                                                                                                                           |
@@ -97,18 +110,19 @@ Column specifications are as follows:
 
 nf-core/taxprofiler will automatically decompress and extract any compressed archives for you.
 
-Expected (uncompressed) database files for each tool are as follows:
+The (uncompressed) database paths (`db_path`) for each tool are expected to contain the contents of:
 
-- [**Bracken** output](#bracken-custom-database) of a combined `kraken2-` and `bracken-build` process.
-- [**Centrifuge** output](#centrifuge-custom-database) of `centrifuge-build`.
-- [**DIAMOND** output](#diamond-custom-database) of `diamond makedb`.
-  to generate taxonomic profile. See [DIAMOND documentation](https://github.com/bbuchfink/diamond/wiki/3.-Command-line-options#makedb-options).
-- [**Kaiju** output](#kaiju-custom-database) of `kaiju-makedb`.
-- [**Kraken2** output](#kraken2-custom-database) of `kraken2-build` command(s).
-- [**KrakenUniq** output](#krakenuniq-custom-database) of `krakenuniq-build` command(s).
-- [**MALT** output](#malt-custom-database) of `malt-build`.
-- [**MetaPhlAn3**](#metaphlan3-custom-database) generated with `metaphlan --install` or downloaded from links on the [MetaPhlAn3 wiki](https://github.com/biobakery/MetaPhlAn/wiki/MetaPhlAn-3.0#customizing-the-database).
-- [**mOTUs**](#motus-custom-database) is composed of code and database together.
+- [**Bracken**:](#bracken-custom-database) output of the combined `kraken2-build` and `bracken-build` process.
+- [**Centrifuge**:](#centrifuge-custom-database) output of `centrifuge-build`.
+- [**DIAMOND**:](#diamond-custom-database) output of `diamond makedb`.
+- [**Kaiju**:](#kaiju-custom-database) output of `kaiju-makedb`.
+- [**Kraken2**:](#kraken2-custom-database) output of `kraken2-build` command(s).
+- [**KrakenUniq**:](#krakenuniq-custom-database) output of `krakenuniq-build` command(s).
+- [**MALT**](#malt-custom-database) output of `malt-build`.
+- [**MetaPhlAn3**:](#metaphlan3-custom-database) output of with `metaphlan --install` or downloaded from links on the [MetaPhlAn3 wiki](https://github.com/biobakery/MetaPhlAn/wiki/MetaPhlAn-3.0#customizing-the-database).
+- [**mOTUs**:](#motus-custom-database) is composed of code and database together.
+
+Click the links in the list above for short quick-reference tutorials how to generate custom databases for each tool.
 
 ## Running the pipeline
 
@@ -120,8 +134,6 @@ nextflow run nf-core/taxprofiler --input samplesheet.csv --databases databases.c
 
 This will launch the pipeline with the `docker` configuration profile. See below for more information about profiles.
 
-When running nf-core/taxprofiler, every step and tool is 'opt in'. To run a given profiler you must make sure to supply both a database in your `<database>.csv` and supply `--run_<profiler>` flag to your command. Omitting either will result in the profiling tool not executing. If you wish to perform pre-processing (adapter clipping, merge running etc.) or post-processing (visualisation) steps, these are also opt in with a `--perform_<step>` flag. In some cases, the pre- and post-processing steps may also require additional files. Please check the parameters tab of this documentation for more information.
-
 Note that the pipeline will create the following files in your working directory:
 
 ```bash
@@ -137,18 +149,18 @@ work                # Directory containing the nextflow working files
 
 ### Preprocessing Steps
 
-nf-core/taxprofiler offers four main preprocessing steps
+nf-core/taxprofiler offers four main preprocessing steps for preprocessing raw sequencing reads:
 
-- Read processing: adapter clipping and pair-merging.
-- Complexity filtering: removal of low-sequence complexity reads.
-- Host read-removal: removal of reads aligning to reference genome(s) of a host.
-- Run merging: concatenation of multiple FASTQ chunks/sequencing runs/libraries of a sample.
+- [**Read processing**](#read-processing): adapter clipping and pair-merging.
+- [**Complexity filtering**](#complexity-filtering): removal of low-sequence complexity reads.
+- [**Host read-removal**](#host-read-removal): removal of reads aligning to reference genome(s) of a host.
+- [**Run merging**](#run-merging): concatenation of multiple FASTQ chunks/sequencing runs/libraries of a sample.
 
 #### Read Processing
 
 Raw sequencing read processing in the form of adapter clipping and paired-end read merging can be activated via the `--perform_shortread_qc` or `--perform_longread_qc` flags.
 
-It is highly recommended to run this on raw reads to remove artifacts from sequencing that can cause false positive identification of taxa (e.g. contaminated reference genomes) and/or skews in taxonomic abundance profiles. If you have public data, normally these should have been corrected for however you should still check this is the case.
+It is highly recommended to run this on raw reads to remove artifacts from sequencing that can cause false positive identification of taxa (e.g. contaminated reference genomes) and/or skews in taxonomic abundance profiles. If you have public data, normally these should have been corrected for, however you should still check these steps have indeed been already performed.
 
 There are currently two options for short-read preprocessing: [`fastp`](https://github.com/OpenGene/fastp) or [`adapterremoval`](https://github.com/MikkelSchubert/adapterremoval).
 
@@ -201,34 +213,86 @@ You can optionally save the FASTQ output of the run merging with the `--save_run
 
 #### Profiling
 
-The following suggestion gives you some tips and suggestions regarding running some of the different tools specifically _within the pipeline_. For advice as to which tool to run in your context, please see the documentation of each tool.
+The following sections provides tips and suggestions for running the different metagenomic taxonomic profiling tools _within the pipeline_. For advice and/or guidance whether you should run a particular tool on your specific data, please see the documentation of each tool!
+
+Not all tools currently have dedicated tips, suggestions and/or recommendations, however we welcome further contributions for existing and additional tools via pull requests to the [nf-core/taxprofiler repository](https://github.com/nf-core/taxprofiler)!
+
+##### Bracken
+
+It is unclear whether Bracken is suitable for running long reads, as it makes certain assumptions about read lengths. Furthemore, during testing we found issues where Bracken would fail on the long-read test data.
+
+Therefore currently nf-core/taxprofiler does not run Bracken on data specified as being sequenced with `OXFORD_NANOPORE` in the input samplesheet.
 
-###### Bracken
+> 🖊️ If you would like to change this behaviour, please contact us on the [nf-core slack](https://nf-co.re/join) and we can discuss this.
 
-It is unclear whether Bracken is suitable for running long reads, as it makes certain assumptions about read lengths. Furthemore, during testing we found issues where Bracken would fail on the long-read test data. Therefore nf-core/taxprofiler does not run Bracken on data specified as being sequenced with `OXFORD_NANOPORE` in the input samplesheet. If you would like to change this behaviour, please contact us on the nf-core slack and we can discuss this.
+##### Bracken
 
-###### Centrifuge
+You must make sure to also activate Kraken2 to run Bracken in the pipeline.
+
+##### Centrifuge
 
 Centrifuge currently does not accept FASTA files as input, therefore no output will be produced for these input files.
 
-###### DIAMOND
+##### DIAMOND
+
+DIAMOND only allows output of a single file format at a time, therefore parameters such `--diamond_save_reads` supplied will result in only aligned reads in SAM format will be produced, no taxonomic profiles will be available. Be aware of this when setting up your pipeline runs, depending on your particular use case.
+
+##### Kaiju
+
+Currently, no specific tips or suggestions.
 
-DIAMOND only allows output of a single format at a time, therefore parameters such --diamond_save_reads supplied will result in only aligned reads in SAM format will be produced, no taxonomic profiles will be available. Be aware of this when setting up your pipeline runs, depending on your particular use case.
+##### Kraken2
 
-###### MALT
+Currently, no specific tips or suggestions.
+
+##### KrakenUniq
+
+Currently, no specific tips or suggestions.
+
+##### MALT
 
 MALT does not support paired-end reads alignment (unlike other tools), therefore nf-core/taxprofiler aligns these as indepenent files if read-merging is skipped. If you skip merging, you can sum or average the results of the counts of the pairs.
 
 Krona can only be run on MALT output if path to Krona taxonomy database supplied to `--krona_taxonomy_directory`. Therefore if you do not supply the a Krona directory, Krona plots will not be produced for MALT.
 
-###### MetaPhlAn3
+##### MetaPhlAn3
 
 MetaPhlAn3 currently does not accept FASTA files as input, therefore no output will be produced for these input files.
 
-###### mOTUs
+##### mOTUs
 
 mOTUs currently does not accept FASTA files as input, therefore no output will be produced for these input files.
 
+#### Post Processing
+
+##### Visualisation
+
+nf-core/taxprofiler supports generation of Krona interactive piechart plots for the following compatible tools.
+
+- Kraken2
+- Centrifuge
+- Kaiju
+- MALT
+
+> ⚠️ MALT KRONA plots cannot be generated automatically, you must also specify a Krona taxonomy directory with `--krona_taxonomy_directory` if you wish to generate these.
+
+##### Multi-Table Generation
+
+In addition to per-sample profiles, the pipeline also supports generation of 'native' multi-sample taxonomic profiles (i.e., those generated by the taxonomic profiling tools themselves or additional utility scripts provided by the tool authors).
+
+This are executed on a per-database level. I.e., you will get a multi-sample taxon table for each database you provide for each tool and will be placed in the same directory as the directories containing the per-sample profiles.
+
+The following tools will produce multi-sample taxon tables:
+
+- **Bracken** (via bracken's `combine_bracken_outputs.py` script)
+- **Centrifuge** (via KrakenTools' `combine_kreports.py` script)
+- **Kaiju** (via Kaiju's `kaiju2table` tool)
+- **Kraken2** (via KrakenTools' `combine_kreports.py` script)
+- **MetaPhlAn3** (via MetaPhlAn's `merge_metaphlan_tables.py` script)
+- **mOTUs** (via the `motus merge` command)
+
+Note that the multi-sample tables from these folders are not inter-operable with each other as they can have different formats.
+
 ### Updating the pipeline
 
 When you run the above command, Nextflow automatically pulls the pipeline code from GitHub and stores it as a cached version. When running the pipeline after this, it will always use the cached version if available - even if the pipeline has been updated since. To make sure that you're running the latest version of the pipeline, make sure that you regularly update the cached version of the pipeline:
@@ -431,12 +495,15 @@ NXF_OPTS='-Xms1g -Xmx4g'
 
 ### Retrieving databases or building custom databases
 
-Here we will give brief guidance on how to build databases for each supported taxonomic profiler. You should always consult the documentation of each tool for more information, here we provide these as quick reference guides (with no guarantee they are up to date).
+Not all taxonomic profilers provide ready-made or default databases. Here we will give brief guidance on how to build custom databases for each supported taxonomic profiler.
+
+You should always consult the documentation of each tool for more information, as here we only provide short minimal-tutorials as quick reference guides (with no guarantee they are up to date).
+
 The following tutorials assumes you already have the tool available (e.g. installed locally, or via conda, docker etc.), and you have already downloaded the FASTA files you wish to build into a database.
 
 #### Bracken custom database
 
-Bracken does not provide any default databases for profiling, but rather building upon Kraken2 databases. See [Kraken2](#kraken2-custom-database) for more information on how to build these.
+Bracken does not require an indepndent database construction, but rather builds upon Kraken2 databases. See [Kraken2](#kraken2-custom-database) for more information on how to build these.
 
 In addition to a Kraken2 database, you also need to have the (average) read lengths (in bp) of your sequencing experiment, the K-mer size used to build the Kraken2 database, and Kraken2 available on your machine.
 
@@ -463,11 +530,13 @@ bracken-build -d <KRAKEN_DB_DIR> -k <KRAKEN_DB_KMER_LENGTH> -l <READLENGTH>
 
 </details>
 
-You can follow Bracken [tutorial](https://ccb.jhu.edu/software/bracken/index.shtml?t=manual) for more information. Alternatively, you can use one of the indexes that can be found [here](https://benlangmead.github.io/aws-indexes/k2).
+You can follow Bracken [tutorial](https://ccb.jhu.edu/software/bracken/index.shtml?t=manual) for more information.
 
 #### Centrifuge custom database
 
-Centrifuge allows the user to [build custom databases](https://ccb.jhu.edu/software/centrifuge/manual.shtml#custom-database). The user should download taxonomy files, make custom `seqid2taxid.map` and combine the fasta files together. You need four components: a tab-separated file mapping sequence IDs to taxonomy IDs (`--conversion-table`), a \t|\t-separated file mapping taxonomy IDs to their parents and rank, up to the root of the tree (`--taxonomy-tree`), a '|'-separated file mapping taxonomy IDs to a name (`--name-table`) and the reference sequences.
+To build a custom Centrifuge database, a user needs to download taxonomy files, make a custom `seqid2taxid.map` and combine the fasta files together.
+
+In total You need four components: a tab-separated file mapping sequence IDs to taxonomy IDs (`--conversion-table`), a tab-separated file mapping taxonomy IDs to their parents and rank, up to the root of the tree (`--taxonomy-tree`), a pipe-separated file mapping taxonomy IDs to a name (`--name-table`), and the reference sequences.
 
 An example of custom `seqid2taxid.map`:
 
@@ -478,7 +547,6 @@ NC_001135.5 4392
 
 ```bash
 centrifuge-download -o taxonomy taxonomy
-
 cat *.{fa,fna} > input-sequences.fna
 centrifuge-build -p 4 --conversion-table seqid2taxid.map --taxonomy-tree taxonomy/nodes.dmp --name-table taxonomy/names.dmp input-sequences.fna taxprofiler_cf
 ```
@@ -494,9 +562,13 @@ centrifuge-build -p 4 --conversion-table seqid2taxid.map --taxonomy-tree taxonom
 
 </details>
 
+For the Centrifuge custom database documentation, see [here](https://ccb.jhu.edu/software/centrifuge/manual.shtml#custom-database).
+
 #### DIAMOND custom database
 
-To create a custom database for DIAMOND, the user should download and unzip the NCBI's taxonomy files. The `makedb` needs to be executed afterwards. A detailed description can be found [here](https://github.com/bbuchfink/diamond/wiki/1.-Tutorial)
+To create a custom database for DIAMOND, the user should download and unzip the NCBI's taxonomy files and the input FASTA files.
+
+The download and build steps are as follows:
 
 ```bash
 wget ftp://ftp.ncbi.nlm.nih.gov/pub/taxonomy/taxdmp.zip
@@ -508,6 +580,7 @@ wget ftp://ftp.ncbi.nlm.nih.gov/pub/taxonomy/accession2taxid/prot.accession2taxi
 ## warning: takes a long time!
 cat ../raw/*.faa | diamond makedb -d testdb-diamond --taxonmap prot.accession2taxid.FULL.gz --taxonnodes nodes.dmp --taxonnames names.dmp
 
+## clean up
 rm *dmp *txt *gz *prt *zip
 ```
 
@@ -519,15 +592,19 @@ rm *dmp *txt *gz *prt *zip
 
 </details>
 
+A detailed description can be found [here](https://github.com/bbuchfink/diamond/wiki/1.-Tutorial)
+
 #### Kaiju custom database
 
-It is possible to [create custom databases](https://github.com/bioinformatics-centre/kaiju#custom-database) with Kaiju. To build a kaiju database, you need three components: a FASTA file with the protein sequences (the headers are the numeric NCBI taxon identifiers of the protein sequences), number of threads and you need to define the uppercase characters of the standard 20 amino acids.
+To build a kaiju database, you need three components: a FASTA file with the protein sequences (the headers are the numeric NCBI taxon identifiers of the protein sequences), and you need to define the uppercase characters of the standard 20 amino acids you wish to include.
 
 ```bash
-kaiju-mkbwt -n 5 -a ACDEFGHIKLMNPQRSTVWY -o proteins proteins.faa
+kaiju-mkbwt -a ACDEFGHIKLMNPQRSTVWY -o proteins proteins.faa
 kaiju-mkfmi proteins
 ```
 
+> 🛈 You can speed up database construction by supplying the threads parameter (`-t`).
+
 <details markdown="1">
 <summary>Expected files in database directory</summary>
 
@@ -538,11 +615,13 @@ kaiju-mkfmi proteins
 
 </details>
 
+For the Kaiju database construction documentation, see [here](https://github.com/bioinformatics-centre/kaiju#custom-database).
+
 #### Kraken2 custom database
 
 To build a Kraken2 database you need two components: a taxonomy (consisting of `names.dmp`, `nodes.dmp`, and `*accession2taxid`) files, and the FASTA files you wish to include.
 
-To install pulling the NCBI taxonomy, you can run the following:
+To pull the NCBI taxonomy, you can run the following:
 
 ```bash
 kraken2-build --download-taxonomy --db <YOUR_DB_NAME>
@@ -556,20 +635,14 @@ kraken2-build --add-to-library *.fna --db <YOUR_DB_NAME>
 
 You can repeat this step multiple times to iteratively add more genomes prior building.
 
-You can also automatical download and add 'standard' libraries provided by Kraken2 (e.g. bacteria on RefSeq)
-
-```bash
-kraken2-build --download-library bacteria --db <YOUR_DB_NAME>
-```
-
 Once all genomes are added to the library, you can build the database (and optionally clean it up):
 
 ```bash
 kraken2-build --build --db <YOUR_DB_NAME>
-kraken2-build --clean--db <YOUR_DB_NAME>
+kraken2-build --clean --db <YOUR_DB_NAME>
 ```
 
-You can then add the <YOUR_DB_NAME>/ path to your nf-core/taxprofiler database input sheet.
+You can then add the `<YOUR_DB_NAME>/` path to your nf-core/taxprofiler database input sheet.
 
 <details markdown="1">
 <summary>Expected files in database directory</summary>
@@ -585,29 +658,17 @@ You can follow the Kraken2 [tutorial](https://github.com/DerrickWood/kraken2/blo
 
 #### KrakenUniq custom database
 
-KrakenUniq allows to re-use Kraken(2) databases ([see above](#kraken2)) however with some restrictions. KrakenUniq also provides you with the ability to auto-download and build 'standard' NCBI reference datasets.
-
-For any KrakenUniq databases, you require: taxonomy files, the FASTA files you wish to include, a `seqid2mapid` file, and a k-mer length.
-
-To auto-download and build a 'standard' database of Bacteria and Archaea genomes from RefSeq, you can run something like:
-
-```bash
-krakenuniq-download --db <DB_DIR_NAME> taxonomy
-krakenuniq-download --db <DB_DIR_NAME> --threads 10 --dust refseq/bacteria refseq/archaea
-krakenuniq-build --db <DB_DIR_NAME> --kmer-len 31 --threads 10 --taxids-for-genomes --taxids-for-sequences
-```
+For any KrakenUniq database, you require: taxonomy files, the FASTA files you wish to include, a `seqid2mapid` file, and a k-mer length.
 
-This will download all the required files for you and build the database.
-
-Alternatively, if you want to build your own you first must make a `seqid2taxid.map` file which is a two column text file containing the FASTA sequence header and the NCBI taxonomy ID for each sequence:
+First you must make a `seqid2taxid.map` file which is a two column text file containing the FASTA sequence header and the NCBI taxonomy ID for each sequence:
 
 ```
 MT192765.1  2697049
 ```
 
-Then make a directory (`<DB_DIR_NAME>/`), containing the `seqid2taxid.map` file and your FASTA files in a subdirectory called `library/`. You must then run the `taxonomy` command on the `<DB_DIR_NAME>/` directory, and then build it.
+Then make a directory (`<DB_DIR_NAME>/`), containing the `seqid2taxid.map` file, and your FASTA files in a subdirectory called `library/` (these FASTA files can be symlinked). You must then run the `taxonomy` command on the `<DB_DIR_NAME>/` directory, and then build it.
 
-```
+```bash
 mkdir -p <DB_DIR_NAME>/library
 mv `seqid2taxid.map` <DB_DIR_NAME>/
 mv *.fna  <DB_DIR_NAME>/library
@@ -615,7 +676,7 @@ krakenuniq-download --db <DB_DIR_NAME>  taxonomy
 krakenuniq-build --db <DB_DIR_NAME> --kmer-len 31
 ```
 
-> 🛈 You can speed up database construction by supplying the threads parameter (`--threads`).
+> 🛈 You can speed up database construction by supplying the threads parameter (`--threads`) to `krakenuniq-build`.
 
 <details markdown="1">
 <summary>Expected files in database directory</summary>
@@ -631,19 +692,15 @@ krakenuniq-build --db <DB_DIR_NAME> --kmer-len 31
 
 Please see the [KrakenUniq documentation](https://github.com/fbreitwieser/krakenuniq#database-building) for more information.
 
-````
-
 #### MALT custom database
 
-MALT does not provide any default databases for profiling, therefore you must build your own.
-You need FASTA files to include, and an (unzipped) [MEGAN mapping 'db' file](https://software-ab.informatik.uni-tuebingen.de/download/megan6/) for your FASTA type.
-In addition to the input directory, output directory, and the mapping file database, you also need to specify the sequence type (DNA or Protein) with the `-s` flag.
+To build a MALT database, you need the FASTA files to include, and an (unzipped) [MEGAN mapping 'db' file](https://software-ab.informatik.uni-tuebingen.de/download/megan6/) for your FASTA type. In addition to the input directory, output directory, and the mapping file database, you also need to specify the sequence type (DNA or Protein) with the `-s` flag.
 
 ```bash
 malt-build -i <path>/<to>/<fasta>/*.{fna,fa,fasta} -a2t <path>/<to>/<map>.db -d <YOUR_DB_NAME>/  -s DNA
-````
+```
 
-You can then add the <YOUR_DB_NAME>/ path to your nf-core/taxprofiler database input sheet.
+You can then add the `<YOUR_DB_NAME>/` path to your nf-core/taxprofiler database input sheet.
 
 ⚠️ MALT generates very large database files and requires large amounts of RAM. You can reduce both by increasing the step size `-st` (with a reduction in sensitivity).
 
@@ -669,8 +726,9 @@ See the [MALT manual](https://software-ab.informatik.uni-tuebingen.de/download/m
 
 #### MetaPhlAn3 custom database
 
-MetaPhlAn3 provides a prebuilt database of marker genes.
-This must be downloaded by the user. To do this you need to have `MetaPhlAn3` installed on your machine.
+MetaPhlAn3 does not allow (easy) construction of custom databases. Therefore we recommend to use the prebuilt database of marker genes that is provided by the developers.
+
+To do this you need to have `MetaPhlAn3` installed on your machine.
 
 ```bash
 metaphlan --install --bowtie2db <YOUR_DB_NAME>/
@@ -678,7 +736,9 @@ metaphlan --install --bowtie2db <YOUR_DB_NAME>/
 
 You can then add the `<YOUR_DB_NAME>/` path to your nf-core/taxprofiler database input sheet.
 
-> 🛈 It is generally not recommended to modify this database yourself, thus this is currently not supported in the pipeline. However, it is possible to customise the existing database by adding your own marker genomes following the instructions [here](https://github.com/biobakery/MetaPhlAn/wiki/MetaPhlAn-3.1#customizing-the-database). If using your own database is relevant for you, please contact the nf-core/taxprofiler developers on the [nf-core slack](https://nf-co.re/join) and we will investigate supporting this.
+> 🛈 It is generally not recommended to modify this database yourself, thus this is currently not supported in the pipeline. However, it is possible to customise the existing database by adding your own marker genomes following the instructions [here](https://github.com/biobakery/MetaPhlAn/wiki/MetaPhlAn-3.1#customizing-the-database).
+
+> 🖊️ If using your own database is relevant for you, please contact the nf-core/taxprofiler developers on the [nf-core slack](https://nf-co.re/join) and we will investigate supporting this.
 
 <details markdown="1">
 <summary>Expected files in database directory</summary>
@@ -701,9 +761,9 @@ More information on the MetaPhlAn3 database can be found [here](https://github.c
 
 #### mOTUs custom database
 
-mOTUs provides a prebuilt database of marker genes.
+mOTUs does not provide the ability to construct custom databases. Therefore we recommend to use the the prebuilt database of marker genes provided by the developers.
 
-This must be downloaded by the user. To do this you need to have `mOTUs` installed on your machine.
+To do this you need to have `mOTUs` installed on your machine.
 
 ```bash
 motus downloadDB
@@ -713,8 +773,6 @@ Then supply the `db_mOTU/` path to your nf-core/taxprofiler database input sheet
 
 > ⚠️ The `db_mOTU/` directory may be downloaded to somewhere in your Python's `site-package` directory. You will have to find this yourself as the exact location varies depends on installation method.
 
-It is not possible to create a custom mOTUs database.
-
 More information on the mOTUs database can be found [here](https://motu-tool.org/installation.html).
 
 ## Troubleshooting and FAQs
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 07798ea..d1693be 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -291,7 +291,7 @@ workflow TAXPROFILER {
         ch_multiqc_files = ch_multiqc_files.mix(SHORTREAD_HOSTREMOVAL.out.mqc.collect{it[1]}.ifEmpty([]))
     }
 
-     if (params.perform_longread_hostremoval) {
+    if (params.perform_longread_hostremoval) {
         ch_multiqc_files = ch_multiqc_files.mix(LONGREAD_HOSTREMOVAL.out.mqc.collect{it[1]}.ifEmpty([]))
     }
 

From e5c6db96c89b2c2862aab8ee403949c9b1ce635d Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 23 Dec 2022 17:23:05 +0100
Subject: [PATCH 585/789] update all modules to make templaite compatible

---
 modules.json                                  | 74 +++++++++----------
 modules/nf-core/adapterremoval/main.nf        |  2 +-
 modules/nf-core/bbmap/bbduk/main.nf           |  8 +-
 modules/nf-core/bowtie2/align/main.nf         | 16 ++--
 modules/nf-core/bowtie2/align/meta.yml        |  5 ++
 modules/nf-core/bowtie2/build/main.nf         |  8 +-
 modules/nf-core/bowtie2/build/meta.yml        | 10 +++
 modules/nf-core/bracken/bracken/main.nf       |  2 +-
 .../bracken/combinebrackenoutputs/main.nf     |  2 +-
 modules/nf-core/cat/fastq/main.nf             |  2 +-
 modules/nf-core/centrifuge/centrifuge/main.nf |  4 +-
 modules/nf-core/centrifuge/kreport/main.nf    |  4 +-
 modules/nf-core/diamond/blastx/main.nf        |  4 +-
 modules/nf-core/falco/main.nf                 |  2 +-
 modules/nf-core/fastp/main.nf                 |  2 +-
 modules/nf-core/filtlong/main.nf              |  2 +-
 modules/nf-core/gunzip/main.nf                |  2 +-
 modules/nf-core/kaiju/kaiju/main.nf           |  2 +-
 modules/nf-core/kaiju/kaiju2krona/main.nf     |  2 +-
 modules/nf-core/kaiju/kaiju2table/main.nf     |  2 +-
 modules/nf-core/kraken2/kraken2/main.nf       |  2 +-
 .../krakentools/combinekreports/main.nf       |  2 +-
 .../nf-core/krakentools/kreport2krona/main.nf |  2 +-
 .../nf-core/krona/ktimporttaxonomy/main.nf    |  2 +-
 modules/nf-core/krona/ktimporttext/main.nf    |  2 +-
 modules/nf-core/malt/run/main.nf              |  2 +-
 modules/nf-core/megan/rma2info/main.nf        |  2 +-
 .../metaphlan3/mergemetaphlantables/main.nf   |  2 +-
 modules/nf-core/metaphlan3/metaphlan3/main.nf |  2 +-
 modules/nf-core/minimap2/align/main.nf        |  8 +-
 modules/nf-core/minimap2/index/main.nf        |  7 +-
 modules/nf-core/minimap2/index/meta.yml       |  2 +-
 modules/nf-core/motus/merge/main.nf           |  2 +-
 modules/nf-core/motus/profile/main.nf         |  2 +-
 modules/nf-core/porechop/porechop/main.nf     |  2 +-
 modules/nf-core/prinseqplusplus/main.nf       |  2 +-
 modules/nf-core/samtools/bam2fq/main.nf       |  6 +-
 modules/nf-core/samtools/index/main.nf        |  6 +-
 modules/nf-core/samtools/stats/main.nf        |  6 +-
 modules/nf-core/samtools/view/main.nf         | 10 ++-
 modules/nf-core/untar/main.nf                 |  2 +-
 subworkflows/local/shortread_hostremoval.nf   |  2 +-
 42 files changed, 124 insertions(+), 106 deletions(-)

diff --git a/modules.json b/modules.json
index ab944fa..0ce4614 100644
--- a/modules.json
+++ b/modules.json
@@ -7,47 +7,47 @@
                 "nf-core": {
                     "adapterremoval": {
                         "branch": "master",
-                        "git_sha": "ce7cf27e377fdacf7ebe8e75903ec70405ea1659",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "bbmap/bbduk": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "bowtie2/align": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "bowtie2/build": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "bracken/bracken": {
                         "branch": "master",
-                        "git_sha": "8cab56516076b23c6f8eb1ac20ba4ce9692c85e1",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "bracken/combinebrackenoutputs": {
                         "branch": "master",
-                        "git_sha": "9c87d5fdad182590a370ea43a4ecebd200a6f6fb",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "cat/fastq": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "centrifuge/centrifuge": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "centrifuge/kreport": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "custom/dumpsoftwareversions": {
@@ -57,18 +57,18 @@
                     },
                     "diamond/blastx": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "falco": {
                         "branch": "master",
-                        "git_sha": "fc959214036403ad83efe7a41d43d0606c445cda",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"],
                         "patch": "modules/nf-core/falco/falco.diff"
                     },
                     "fastp": {
                         "branch": "master",
-                        "git_sha": "1e49f31e93c56a3832833eef90a02d3cde5a3f7e",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "fastqc": {
@@ -78,42 +78,42 @@
                     },
                     "filtlong": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "gunzip": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "kaiju/kaiju": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "kaiju/kaiju2krona": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "kaiju/kaiju2table": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "kraken2/kraken2": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "krakentools/combinekreports": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "krakentools/kreport2krona": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "krakenuniq/preloadedkrakenuniq": {
@@ -123,52 +123,52 @@
                     },
                     "krona/ktimporttaxonomy": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "krona/ktimporttext": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "malt/run": {
                         "branch": "master",
-                        "git_sha": "6d9712f03ec2de8264a50ee4541a617e1e063b51",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "megan/rma2info": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "metaphlan3/mergemetaphlantables": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "metaphlan3/metaphlan3": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "minimap2/align": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "minimap2/index": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "motus/merge": {
                         "branch": "master",
-                        "git_sha": "3fce766123e71e82fb384db7d07b59180baa9ee9",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "motus/profile": {
                         "branch": "master",
-                        "git_sha": "3fce766123e71e82fb384db7d07b59180baa9ee9",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "multiqc": {
@@ -178,37 +178,37 @@
                     },
                     "porechop/porechop": {
                         "branch": "master",
-                        "git_sha": "2a4e85eb81875a572bb58133e37f84ba3cc484d7",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "prinseqplusplus": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "samtools/bam2fq": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "samtools/index": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "samtools/stats": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "samtools/view": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     },
                     "untar": {
                         "branch": "master",
-                        "git_sha": "5e34754d42cd2d5d248ca8673c0a53cdf5624905",
+                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
                         "installed_by": ["modules"]
                     }
                 }
diff --git a/modules/nf-core/adapterremoval/main.nf b/modules/nf-core/adapterremoval/main.nf
index 643c141..324b4b0 100644
--- a/modules/nf-core/adapterremoval/main.nf
+++ b/modules/nf-core/adapterremoval/main.nf
@@ -2,7 +2,7 @@ process ADAPTERREMOVAL {
     tag "$meta.id"
     label 'process_medium'
 
-    conda (params.enable_conda ? "bioconda::adapterremoval=2.3.2" : null)
+    conda "bioconda::adapterremoval=2.3.2"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/adapterremoval:2.3.2--hb7ba0dd_0' :
         'quay.io/biocontainers/adapterremoval:2.3.2--hb7ba0dd_0' }"
diff --git a/modules/nf-core/bbmap/bbduk/main.nf b/modules/nf-core/bbmap/bbduk/main.nf
index 0ae005e..f33d937 100644
--- a/modules/nf-core/bbmap/bbduk/main.nf
+++ b/modules/nf-core/bbmap/bbduk/main.nf
@@ -2,10 +2,10 @@ process BBMAP_BBDUK {
     tag "$meta.id"
     label 'process_medium'
 
-    conda (params.enable_conda ? "bioconda::bbmap=38.90" : null)
+    conda "bioconda::bbmap=39.01"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/bbmap:38.90--he522d1c_1' :
-        'quay.io/biocontainers/bbmap:38.90--he522d1c_1' }"
+        'https://depot.galaxyproject.org/singularity/bbmap:39.01--h5c4e2a8_0':
+        'quay.io/biocontainers/bbmap:39.01--h5c4e2a8_0' }"
 
     input:
     tuple val(meta), path(reads)
@@ -37,7 +37,7 @@ process BBMAP_BBDUK {
         &> ${prefix}.bbduk.log
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":
-        bbmap: \$(bbversion.sh)
+        bbmap: \$(bbversion.sh | grep -v "Duplicate cpuset")
     END_VERSIONS
     """
 }
diff --git a/modules/nf-core/bowtie2/align/main.nf b/modules/nf-core/bowtie2/align/main.nf
index c74e376..3d85186 100644
--- a/modules/nf-core/bowtie2/align/main.nf
+++ b/modules/nf-core/bowtie2/align/main.nf
@@ -2,14 +2,14 @@ process BOWTIE2_ALIGN {
     tag "$meta.id"
     label "process_high"
 
-    conda (params.enable_conda ? "bioconda::bowtie2=2.4.4 bioconda::samtools=1.15.1 conda-forge::pigz=2.6" : null)
-    container "${ workflow.containerEngine == "singularity" && !task.ext.singularity_pull_docker_container ?
-        "https://depot.galaxyproject.org/singularity/mulled-v2-ac74a7f02cebcfcc07d8e8d1d750af9c83b4d45a:1744f68fe955578c63054b55309e05b41c37a80d-0" :
-        "quay.io/biocontainers/mulled-v2-ac74a7f02cebcfcc07d8e8d1d750af9c83b4d45a:1744f68fe955578c63054b55309e05b41c37a80d-0" }"
+    conda "bioconda::bowtie2=2.4.4 bioconda::samtools=1.16.1 conda-forge::pigz=2.6"
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/mulled-v2-ac74a7f02cebcfcc07d8e8d1d750af9c83b4d45a:a0ffedb52808e102887f6ce600d092675bf3528a-0' :
+        'quay.io/biocontainers/mulled-v2-ac74a7f02cebcfcc07d8e8d1d750af9c83b4d45a:a0ffedb52808e102887f6ce600d092675bf3528a-0' }"
 
     input:
-    tuple val(meta), path(reads)
-    path  index
+    tuple val(meta) , path(reads)
+    tuple val(meta2), path(index)
     val   save_unaligned
     val   sort_bam
 
@@ -40,8 +40,8 @@ process BOWTIE2_ALIGN {
     def samtools_command = sort_bam ? 'sort' : 'view'
 
     """
-    INDEX=`find -L ./ -name "*.rev.1.bt2" | sed "s/.rev.1.bt2//"`
-    [ -z "\$INDEX" ] && INDEX=`find -L ./ -name "*.rev.1.bt2l" | sed "s/.rev.1.bt2l//"`
+    INDEX=`find -L ./ -name "*.rev.1.bt2" | sed "s/\\.rev.1.bt2\$//"`
+    [ -z "\$INDEX" ] && INDEX=`find -L ./ -name "*.rev.1.bt2l" | sed "s/\\.rev.1.bt2l\$//"`
     [ -z "\$INDEX" ] && echo "Bowtie2 index files not found" 1>&2 && exit 1
 
     bowtie2 \\
diff --git a/modules/nf-core/bowtie2/align/meta.yml b/modules/nf-core/bowtie2/align/meta.yml
index 42ba0f9..c8e9a00 100644
--- a/modules/nf-core/bowtie2/align/meta.yml
+++ b/modules/nf-core/bowtie2/align/meta.yml
@@ -27,6 +27,11 @@ input:
       description: |
         List of input FastQ files of size 1 and 2 for single-end and paired-end data,
         respectively.
+  - meta2:
+      type: map
+      description: |
+        Groovy Map containing reference information
+        e.g. [ id:'test', single_end:false ]
   - index:
       type: file
       description: Bowtie2 genome index files
diff --git a/modules/nf-core/bowtie2/build/main.nf b/modules/nf-core/bowtie2/build/main.nf
index a4da62d..551893a 100644
--- a/modules/nf-core/bowtie2/build/main.nf
+++ b/modules/nf-core/bowtie2/build/main.nf
@@ -2,17 +2,17 @@ process BOWTIE2_BUILD {
     tag "$fasta"
     label 'process_high'
 
-    conda (params.enable_conda ? 'bioconda::bowtie2=2.4.4' : null)
+    conda "bioconda::bowtie2=2.4.4"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/bowtie2:2.4.4--py39hbb4e92a_0' :
         'quay.io/biocontainers/bowtie2:2.4.4--py39hbb4e92a_0' }"
 
     input:
-    path fasta
+    tuple val(meta), path(fasta)
 
     output:
-    path 'bowtie2'      , emit: index
-    path "versions.yml" , emit: versions
+    tuple val(meta), path('bowtie2')    , emit: index
+    path "versions.yml"                 , emit: versions
 
     when:
     task.ext.when == null || task.ext.when
diff --git a/modules/nf-core/bowtie2/build/meta.yml b/modules/nf-core/bowtie2/build/meta.yml
index 2da9a21..0240224 100644
--- a/modules/nf-core/bowtie2/build/meta.yml
+++ b/modules/nf-core/bowtie2/build/meta.yml
@@ -16,10 +16,20 @@ tools:
       doi: 10.1038/nmeth.1923
       licence: ["GPL-3.0-or-later"]
 input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing reference information
+        e.g. [ id:'test', single_end:false ]
   - fasta:
       type: file
       description: Input genome fasta file
 output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing reference information
+        e.g. [ id:'test', single_end:false ]
   - index:
       type: file
       description: Bowtie2 genome index files
diff --git a/modules/nf-core/bracken/bracken/main.nf b/modules/nf-core/bracken/bracken/main.nf
index ac7d1af..ddb2d6f 100644
--- a/modules/nf-core/bracken/bracken/main.nf
+++ b/modules/nf-core/bracken/bracken/main.nf
@@ -4,7 +4,7 @@ process BRACKEN_BRACKEN {
 
     // WARN: Version information not provided by tool on CLI.
     // Please update version string below when bumping container versions.
-    conda (params.enable_conda ? "bioconda::bracken=2.7" : null)
+    conda "bioconda::bracken=2.7"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/bracken:2.7--py39hc16433a_0':
         'quay.io/biocontainers/bracken:2.7--py39hc16433a_0' }"
diff --git a/modules/nf-core/bracken/combinebrackenoutputs/main.nf b/modules/nf-core/bracken/combinebrackenoutputs/main.nf
index 977030c..c57e6a8 100644
--- a/modules/nf-core/bracken/combinebrackenoutputs/main.nf
+++ b/modules/nf-core/bracken/combinebrackenoutputs/main.nf
@@ -2,7 +2,7 @@ process BRACKEN_COMBINEBRACKENOUTPUTS {
     tag "$meta.id"
     label 'process_low'
 
-    conda (params.enable_conda ? "bioconda::bracken=2.7" : null)
+    conda "bioconda::bracken=2.7"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/bracken:2.7--py39hc16433a_0':
         'quay.io/biocontainers/bracken:2.7--py39hc16433a_0' }"
diff --git a/modules/nf-core/cat/fastq/main.nf b/modules/nf-core/cat/fastq/main.nf
index 4fa365d..8a0b560 100644
--- a/modules/nf-core/cat/fastq/main.nf
+++ b/modules/nf-core/cat/fastq/main.nf
@@ -2,7 +2,7 @@ process CAT_FASTQ {
     tag "$meta.id"
     label 'process_single'
 
-    conda (params.enable_conda ? "conda-forge::sed=4.7" : null)
+    conda "conda-forge::sed=4.7"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/ubuntu:20.04' :
         'ubuntu:20.04' }"
diff --git a/modules/nf-core/centrifuge/centrifuge/main.nf b/modules/nf-core/centrifuge/centrifuge/main.nf
index 3d23fc9..26c91ee 100644
--- a/modules/nf-core/centrifuge/centrifuge/main.nf
+++ b/modules/nf-core/centrifuge/centrifuge/main.nf
@@ -2,7 +2,7 @@ process CENTRIFUGE_CENTRIFUGE {
     tag "$meta.id"
     label 'process_high'
 
-    conda (params.enable_conda ? "bioconda::centrifuge=1.0.4_beta" : null)
+    conda "bioconda::centrifuge=1.0.4_beta"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/centrifuge:1.0.4_beta--h9a82719_6' :
         'quay.io/biocontainers/centrifuge:1.0.4_beta--h9a82719_6' }"
@@ -41,7 +41,7 @@ process CENTRIFUGE_CENTRIFUGE {
     def sam_output = sam_format ? "--out-fmt 'sam'" : ''
     """
     ## we add "-no-name ._" to ensure silly Mac OSX metafiles files aren't included
-    db_name=`find -L ${db} -name "*.1.cf" -not -name "._*"  | sed 's/.1.cf//'`
+    db_name=`find -L ${db} -name "*.1.cf" -not -name "._*"  | sed 's/\\.1.cf\$//'`
     centrifuge \\
         -x \$db_name \\
         -p $task.cpus \\
diff --git a/modules/nf-core/centrifuge/kreport/main.nf b/modules/nf-core/centrifuge/kreport/main.nf
index 8e5b741..6fcee55 100644
--- a/modules/nf-core/centrifuge/kreport/main.nf
+++ b/modules/nf-core/centrifuge/kreport/main.nf
@@ -2,7 +2,7 @@ process CENTRIFUGE_KREPORT {
     tag "$meta.id"
     label 'process_single'
 
-    conda (params.enable_conda ? "bioconda::centrifuge=1.0.4_beta" : null)
+    conda "bioconda::centrifuge=1.0.4_beta"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/centrifuge:1.0.4_beta--h9a82719_6':
         'quay.io/biocontainers/centrifuge:1.0.4_beta--h9a82719_6' }"
@@ -22,7 +22,7 @@ process CENTRIFUGE_KREPORT {
     def args = task.ext.args ?: ''
     def prefix = task.ext.prefix ?: "${meta.id}"
     """
-    db_name=`find -L ${db} -name "*.1.cf" -not -name "._*"  | sed 's/.1.cf//'`
+    db_name=`find -L ${db} -name "*.1.cf" -not -name "._*"  | sed 's/\\.1.cf\$//'`
     centrifuge-kreport -x \$db_name ${report} > ${prefix}.txt
 
     cat <<-END_VERSIONS > versions.yml
diff --git a/modules/nf-core/diamond/blastx/main.nf b/modules/nf-core/diamond/blastx/main.nf
index 1f4ff25..e305b57 100644
--- a/modules/nf-core/diamond/blastx/main.nf
+++ b/modules/nf-core/diamond/blastx/main.nf
@@ -2,7 +2,7 @@ process DIAMOND_BLASTX {
     tag "$meta.id"
     label 'process_medium'
 
-    conda (params.enable_conda ? "bioconda::diamond=2.0.15" : null)
+    conda "bioconda::diamond=2.0.15"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/diamond:2.0.15--hb97b32f_0' :
         'quay.io/biocontainers/diamond:2.0.15--hb97b32f_0' }"
@@ -46,7 +46,7 @@ process DIAMOND_BLASTX {
             break
     }
     """
-    DB=`find -L ./ -name "*.dmnd" | sed 's/.dmnd//'`
+    DB=`find -L ./ -name "*.dmnd" | sed 's/\\.dmnd\$//'`
 
     diamond \\
         blastx \\
diff --git a/modules/nf-core/falco/main.nf b/modules/nf-core/falco/main.nf
index b279c57..f0f131e 100644
--- a/modules/nf-core/falco/main.nf
+++ b/modules/nf-core/falco/main.nf
@@ -3,7 +3,7 @@ process FALCO {
     label 'process_single'
 
 
-    conda (params.enable_conda ? "bioconda::falco=1.2.1" : null)
+    conda "bioconda::falco=1.2.1"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/falco:1.2.1--h867801b_3':
         'quay.io/biocontainers/falco:1.2.1--h867801b_3' }"
diff --git a/modules/nf-core/fastp/main.nf b/modules/nf-core/fastp/main.nf
index 207258a..e1ed928 100644
--- a/modules/nf-core/fastp/main.nf
+++ b/modules/nf-core/fastp/main.nf
@@ -2,7 +2,7 @@ process FASTP {
     tag "$meta.id"
     label 'process_medium'
 
-    conda (params.enable_conda ? 'bioconda::fastp=0.23.2' : null)
+    conda "bioconda::fastp=0.23.2"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/fastp:0.23.2--h79da9fb_0' :
         'quay.io/biocontainers/fastp:0.23.2--h79da9fb_0' }"
diff --git a/modules/nf-core/filtlong/main.nf b/modules/nf-core/filtlong/main.nf
index afaa938..e920fef 100644
--- a/modules/nf-core/filtlong/main.nf
+++ b/modules/nf-core/filtlong/main.nf
@@ -2,7 +2,7 @@ process FILTLONG {
     tag "$meta.id"
     label 'process_low'
 
-    conda (params.enable_conda ? "bioconda::filtlong=0.2.1" : null)
+    conda "bioconda::filtlong=0.2.1"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/filtlong:0.2.1--h9a82719_0' :
         'quay.io/biocontainers/filtlong:0.2.1--h9a82719_0' }"
diff --git a/modules/nf-core/gunzip/main.nf b/modules/nf-core/gunzip/main.nf
index fa6ba26..d906034 100644
--- a/modules/nf-core/gunzip/main.nf
+++ b/modules/nf-core/gunzip/main.nf
@@ -2,7 +2,7 @@ process GUNZIP {
     tag "$archive"
     label 'process_single'
 
-    conda (params.enable_conda ? "conda-forge::sed=4.7" : null)
+    conda "conda-forge::sed=4.7"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/ubuntu:20.04' :
         'ubuntu:20.04' }"
diff --git a/modules/nf-core/kaiju/kaiju/main.nf b/modules/nf-core/kaiju/kaiju/main.nf
index ae8f99e..1d24e64 100644
--- a/modules/nf-core/kaiju/kaiju/main.nf
+++ b/modules/nf-core/kaiju/kaiju/main.nf
@@ -2,7 +2,7 @@ process KAIJU_KAIJU {
     tag "$meta.id"
     label 'process_high'
 
-    conda (params.enable_conda ? "bioconda::kaiju=1.8.2" : null)
+    conda "bioconda::kaiju=1.8.2"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/kaiju:1.8.2--h5b5514e_1':
         'quay.io/biocontainers/kaiju:1.8.2--h5b5514e_1' }"
diff --git a/modules/nf-core/kaiju/kaiju2krona/main.nf b/modules/nf-core/kaiju/kaiju2krona/main.nf
index 3f35ce7..fb8da1e 100644
--- a/modules/nf-core/kaiju/kaiju2krona/main.nf
+++ b/modules/nf-core/kaiju/kaiju2krona/main.nf
@@ -2,7 +2,7 @@ process KAIJU_KAIJU2KRONA {
     tag "$meta.id"
     label 'process_single'
 
-    conda (params.enable_conda ? "bioconda::kaiju=1.8.2" : null)
+    conda "bioconda::kaiju=1.8.2"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/kaiju:1.8.2--h5b5514e_1':
         'quay.io/biocontainers/kaiju:1.8.2--h5b5514e_1' }"
diff --git a/modules/nf-core/kaiju/kaiju2table/main.nf b/modules/nf-core/kaiju/kaiju2table/main.nf
index 8648d56..52bd643 100644
--- a/modules/nf-core/kaiju/kaiju2table/main.nf
+++ b/modules/nf-core/kaiju/kaiju2table/main.nf
@@ -2,7 +2,7 @@ process KAIJU_KAIJU2TABLE {
     tag "$meta.id"
     label 'process_single'
 
-    conda (params.enable_conda ? "bioconda::kaiju=1.8.2" : null)
+    conda "bioconda::kaiju=1.8.2"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/kaiju:1.8.2--h5b5514e_1':
         'quay.io/biocontainers/kaiju:1.8.2--h2e03b76_0' }"
diff --git a/modules/nf-core/kraken2/kraken2/main.nf b/modules/nf-core/kraken2/kraken2/main.nf
index 43a1679..1b9e760 100644
--- a/modules/nf-core/kraken2/kraken2/main.nf
+++ b/modules/nf-core/kraken2/kraken2/main.nf
@@ -2,7 +2,7 @@ process KRAKEN2_KRAKEN2 {
     tag "$meta.id"
     label 'process_high'
 
-    conda (params.enable_conda ? 'bioconda::kraken2=2.1.2 conda-forge::pigz=2.6' : null)
+    conda "bioconda::kraken2=2.1.2 conda-forge::pigz=2.6"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/mulled-v2-5799ab18b5fc681e75923b2450abaa969907ec98:87fc08d11968d081f3e8a37131c1f1f6715b6542-0' :
         'quay.io/biocontainers/mulled-v2-5799ab18b5fc681e75923b2450abaa969907ec98:87fc08d11968d081f3e8a37131c1f1f6715b6542-0' }"
diff --git a/modules/nf-core/krakentools/combinekreports/main.nf b/modules/nf-core/krakentools/combinekreports/main.nf
index fdcc245..b4ea504 100644
--- a/modules/nf-core/krakentools/combinekreports/main.nf
+++ b/modules/nf-core/krakentools/combinekreports/main.nf
@@ -1,7 +1,7 @@
 process KRAKENTOOLS_COMBINEKREPORTS {
     label 'process_single'
 
-    conda (params.enable_conda ? "bioconda::krakentools=1.2" : null)
+    conda "bioconda::krakentools=1.2"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/krakentools:1.2--pyh5e36f6f_0':
         'quay.io/biocontainers/krakentools:1.2--pyh5e36f6f_0' }"
diff --git a/modules/nf-core/krakentools/kreport2krona/main.nf b/modules/nf-core/krakentools/kreport2krona/main.nf
index 8ed46f1..df439ac 100644
--- a/modules/nf-core/krakentools/kreport2krona/main.nf
+++ b/modules/nf-core/krakentools/kreport2krona/main.nf
@@ -3,7 +3,7 @@ process KRAKENTOOLS_KREPORT2KRONA {
     label 'process_single'
 
     // WARN: Version information not provided by tool on CLI. Please update version string below when bumping container versions.
-    conda (params.enable_conda ? "bioconda::krakentools=1.2" : null)
+    conda "bioconda::krakentools=1.2"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/krakentools:1.2--pyh5e36f6f_0':
         'quay.io/biocontainers/krakentools:1.2--pyh5e36f6f_0' }"
diff --git a/modules/nf-core/krona/ktimporttaxonomy/main.nf b/modules/nf-core/krona/ktimporttaxonomy/main.nf
index 79c01d7..3a76f66 100644
--- a/modules/nf-core/krona/ktimporttaxonomy/main.nf
+++ b/modules/nf-core/krona/ktimporttaxonomy/main.nf
@@ -3,7 +3,7 @@ process KRONA_KTIMPORTTAXONOMY {
     label 'process_single'
 
     // WARN: Version information not provided by tool on CLI. Please update version string below when bumping container versions.
-    conda (params.enable_conda ? "bioconda::krona=2.8" : null)
+    conda "bioconda::krona=2.8"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/krona:2.8--pl5262hdfd78af_2' :
         'quay.io/biocontainers/krona:2.8--pl5262hdfd78af_2' }"
diff --git a/modules/nf-core/krona/ktimporttext/main.nf b/modules/nf-core/krona/ktimporttext/main.nf
index edf7aab..53f3026 100644
--- a/modules/nf-core/krona/ktimporttext/main.nf
+++ b/modules/nf-core/krona/ktimporttext/main.nf
@@ -2,7 +2,7 @@ process KRONA_KTIMPORTTEXT {
     tag "$meta.id"
     label 'process_single'
 
-    conda (params.enable_conda ? "bioconda::krona=2.8.1" : null)
+    conda "bioconda::krona=2.8.1"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/krona:2.8.1--pl5321hdfd78af_1':
         'quay.io/biocontainers/krona:2.8.1--pl5321hdfd78af_1' }"
diff --git a/modules/nf-core/malt/run/main.nf b/modules/nf-core/malt/run/main.nf
index 2e75b4c..83987d9 100644
--- a/modules/nf-core/malt/run/main.nf
+++ b/modules/nf-core/malt/run/main.nf
@@ -2,7 +2,7 @@ process MALT_RUN {
     tag "$meta.id"
     label 'process_high'
 
-    conda (params.enable_conda ? "bioconda::malt=0.61" : null)
+    conda "bioconda::malt=0.61"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/malt:0.61--hdfd78af_0' :
         'quay.io/biocontainers/malt:0.61--hdfd78af_0' }"
diff --git a/modules/nf-core/megan/rma2info/main.nf b/modules/nf-core/megan/rma2info/main.nf
index 9c6a094..a37a4d6 100644
--- a/modules/nf-core/megan/rma2info/main.nf
+++ b/modules/nf-core/megan/rma2info/main.nf
@@ -2,7 +2,7 @@ process MEGAN_RMA2INFO {
     tag "$meta.id"
     label 'process_single'
 
-    conda (params.enable_conda ? "bioconda::megan=6.21.7" : null)
+    conda "bioconda::megan=6.21.7"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/megan:6.21.7--h9ee0642_0':
         'quay.io/biocontainers/megan:6.21.7--h9ee0642_0' }"
diff --git a/modules/nf-core/metaphlan3/mergemetaphlantables/main.nf b/modules/nf-core/metaphlan3/mergemetaphlantables/main.nf
index 7c37eca..5be6e4f 100644
--- a/modules/nf-core/metaphlan3/mergemetaphlantables/main.nf
+++ b/modules/nf-core/metaphlan3/mergemetaphlantables/main.nf
@@ -1,7 +1,7 @@
 process METAPHLAN3_MERGEMETAPHLANTABLES {
     label 'process_single'
 
-    conda (params.enable_conda ? 'bioconda::metaphlan=3.0.12' : null)
+    conda "bioconda::metaphlan=3.0.12"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/metaphlan:3.0.12--pyhb7b1952_0' :
         'quay.io/biocontainers/metaphlan:3.0.12--pyhb7b1952_0' }"
diff --git a/modules/nf-core/metaphlan3/metaphlan3/main.nf b/modules/nf-core/metaphlan3/metaphlan3/main.nf
index 1453466..34f8705 100644
--- a/modules/nf-core/metaphlan3/metaphlan3/main.nf
+++ b/modules/nf-core/metaphlan3/metaphlan3/main.nf
@@ -2,7 +2,7 @@ process METAPHLAN3_METAPHLAN3 {
     tag "$meta.id"
     label 'process_high'
 
-    conda (params.enable_conda ? 'bioconda::metaphlan=3.0.12' : null)
+    conda "bioconda::metaphlan=3.0.12"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/metaphlan:3.0.12--pyhb7b1952_0' :
         'quay.io/biocontainers/metaphlan:3.0.12--pyhb7b1952_0' }"
diff --git a/modules/nf-core/minimap2/align/main.nf b/modules/nf-core/minimap2/align/main.nf
index 08ac6ee..430dbab 100644
--- a/modules/nf-core/minimap2/align/main.nf
+++ b/modules/nf-core/minimap2/align/main.nf
@@ -2,7 +2,8 @@ process MINIMAP2_ALIGN {
     tag "$meta.id"
     label 'process_medium'
 
-    conda (params.enable_conda ? 'bioconda::minimap2=2.21 bioconda::samtools=1.12' : null)
+    // Note: the versions here need to match the versions used in the mulled container below and minimap2/index
+    conda "bioconda::minimap2=2.24 bioconda::samtools=1.14"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/mulled-v2-66534bcbb7031a148b13e2ad42583020b9cd25c4:1679e915ddb9d6b4abda91880c4b48857d471bd8-0' :
         'quay.io/biocontainers/mulled-v2-66534bcbb7031a148b13e2ad42583020b9cd25c4:1679e915ddb9d6b4abda91880c4b48857d471bd8-0' }"
@@ -25,7 +26,6 @@ process MINIMAP2_ALIGN {
     script:
     def args = task.ext.args ?: ''
     def prefix = task.ext.prefix ?: "${meta.id}"
-    def input_reads = meta.single_end ? "$reads" : "${reads[0]} ${reads[1]}"
     def bam_output = bam_format ? "-a | samtools sort | samtools view -@ ${task.cpus} -b -h -o ${prefix}.bam" : "-o ${prefix}.paf"
     def cigar_paf = cigar_paf_format && !bam_format ? "-c" : ''
     def set_cigar_bam = cigar_bam && bam_format ? "-L" : ''
@@ -33,8 +33,8 @@ process MINIMAP2_ALIGN {
     minimap2 \\
         $args \\
         -t $task.cpus \\
-        $reference \\
-        $input_reads \\
+        "${reference ?: reads}" \\
+        "$reads" \\
         $cigar_paf \\
         $set_cigar_bam \\
         $bam_output
diff --git a/modules/nf-core/minimap2/index/main.nf b/modules/nf-core/minimap2/index/main.nf
index 25e9429..73dd4ee 100644
--- a/modules/nf-core/minimap2/index/main.nf
+++ b/modules/nf-core/minimap2/index/main.nf
@@ -1,10 +1,11 @@
 process MINIMAP2_INDEX {
     label 'process_medium'
 
-    conda (params.enable_conda ? 'bioconda::minimap2=2.21' : null)
+    // Note: the versions here need to match the versions used in minimap2/align
+    conda "bioconda::minimap2=2.24"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/minimap2:2.21--h5bf99c6_0' :
-        'quay.io/biocontainers/minimap2:2.21--h5bf99c6_0' }"
+        'https://depot.galaxyproject.org/singularity/minimap2:2.24--h7132678_1' :
+        'quay.io/biocontainers/minimap2:2.24--h7132678_1' }"
 
     input:
     tuple val(meta), path(fasta)
diff --git a/modules/nf-core/minimap2/index/meta.yml b/modules/nf-core/minimap2/index/meta.yml
index 603c651..b58f35c 100644
--- a/modules/nf-core/minimap2/index/meta.yml
+++ b/modules/nf-core/minimap2/index/meta.yml
@@ -27,7 +27,7 @@ output:
       description: |
         Groovy Map containing sample information
         e.g. [ id:'test', single_end:false ]
-  - mmi:
+  - index:
       type: file
       description: Minimap2 fasta index.
       pattern: "*.mmi"
diff --git a/modules/nf-core/motus/merge/main.nf b/modules/nf-core/motus/merge/main.nf
index 5041cf0..23d2a49 100644
--- a/modules/nf-core/motus/merge/main.nf
+++ b/modules/nf-core/motus/merge/main.nf
@@ -2,7 +2,7 @@ process MOTUS_MERGE {
     tag "$meta.id"
     label 'process_single'
 
-    conda (params.enable_conda ? "bioconda::motus=3.0.3" : null)
+    conda "bioconda::motus=3.0.3"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/motus:3.0.3--pyhdfd78af_0':
         'quay.io/biocontainers/motus:3.0.3--pyhdfd78af_0' }"
diff --git a/modules/nf-core/motus/profile/main.nf b/modules/nf-core/motus/profile/main.nf
index 8a76250..1491c46 100644
--- a/modules/nf-core/motus/profile/main.nf
+++ b/modules/nf-core/motus/profile/main.nf
@@ -2,7 +2,7 @@ process MOTUS_PROFILE {
     tag "$meta.id"
     label 'process_medium'
 
-    conda (params.enable_conda ? "bioconda::motus=3.0.3" : null)
+    conda "bioconda::motus=3.0.3"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/motus:3.0.3--pyhdfd78af_0':
         'quay.io/biocontainers/motus:3.0.3--pyhdfd78af_0' }"
diff --git a/modules/nf-core/porechop/porechop/main.nf b/modules/nf-core/porechop/porechop/main.nf
index f946417..5267910 100644
--- a/modules/nf-core/porechop/porechop/main.nf
+++ b/modules/nf-core/porechop/porechop/main.nf
@@ -2,7 +2,7 @@ process PORECHOP_PORECHOP {
     tag "$meta.id"
     label 'process_medium'
 
-    conda (params.enable_conda ? "bioconda::porechop=0.2.4" : null)
+    conda "bioconda::porechop=0.2.4"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/porechop:0.2.4--py39h7cff6ad_2' :
         'quay.io/biocontainers/porechop:0.2.4--py39h7cff6ad_2' }"
diff --git a/modules/nf-core/prinseqplusplus/main.nf b/modules/nf-core/prinseqplusplus/main.nf
index ebd8c58..f6c1c5b 100644
--- a/modules/nf-core/prinseqplusplus/main.nf
+++ b/modules/nf-core/prinseqplusplus/main.nf
@@ -2,7 +2,7 @@ process PRINSEQPLUSPLUS {
     tag "$meta.id"
     label 'process_low'
 
-    conda (params.enable_conda ? "bioconda::prinseq-plus-plus=1.2.3" : null)
+    conda "bioconda::prinseq-plus-plus=1.2.3"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/prinseq-plus-plus:1.2.3--hc90279e_1':
         'quay.io/biocontainers/prinseq-plus-plus:1.2.3--hc90279e_1' }"
diff --git a/modules/nf-core/samtools/bam2fq/main.nf b/modules/nf-core/samtools/bam2fq/main.nf
index 9301d1d..0b06352 100644
--- a/modules/nf-core/samtools/bam2fq/main.nf
+++ b/modules/nf-core/samtools/bam2fq/main.nf
@@ -2,10 +2,10 @@ process SAMTOOLS_BAM2FQ {
     tag "$meta.id"
     label 'process_low'
 
-    conda (params.enable_conda ? "bioconda::samtools=1.15.1" : null)
+    conda "bioconda::samtools=1.16.1"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/samtools:1.15.1--h1170115_0' :
-        'quay.io/biocontainers/samtools:1.15.1--h1170115_0' }"
+        'https://depot.galaxyproject.org/singularity/samtools:1.16.1--h6899075_1' :
+        'quay.io/biocontainers/samtools:1.16.1--h6899075_1' }"
 
     input:
     tuple val(meta), path(inputbam)
diff --git a/modules/nf-core/samtools/index/main.nf b/modules/nf-core/samtools/index/main.nf
index e04e63e..8b95687 100644
--- a/modules/nf-core/samtools/index/main.nf
+++ b/modules/nf-core/samtools/index/main.nf
@@ -2,10 +2,10 @@ process SAMTOOLS_INDEX {
     tag "$meta.id"
     label 'process_low'
 
-    conda (params.enable_conda ? "bioconda::samtools=1.15.1" : null)
+    conda "bioconda::samtools=1.16.1"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/samtools:1.15.1--h1170115_0' :
-        'quay.io/biocontainers/samtools:1.15.1--h1170115_0' }"
+        'https://depot.galaxyproject.org/singularity/samtools:1.16.1--h6899075_1' :
+        'quay.io/biocontainers/samtools:1.16.1--h6899075_1' }"
 
     input:
     tuple val(meta), path(input)
diff --git a/modules/nf-core/samtools/stats/main.nf b/modules/nf-core/samtools/stats/main.nf
index 9b0c386..0a2a364 100644
--- a/modules/nf-core/samtools/stats/main.nf
+++ b/modules/nf-core/samtools/stats/main.nf
@@ -2,10 +2,10 @@ process SAMTOOLS_STATS {
     tag "$meta.id"
     label 'process_single'
 
-    conda (params.enable_conda ? "bioconda::samtools=1.15.1" : null)
+    conda "bioconda::samtools=1.16.1"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/samtools:1.15.1--h1170115_0' :
-        'quay.io/biocontainers/samtools:1.15.1--h1170115_0' }"
+        'https://depot.galaxyproject.org/singularity/samtools:1.16.1--h6899075_1' :
+        'quay.io/biocontainers/samtools:1.16.1--h6899075_1' }"
 
     input:
     tuple val(meta), path(input), path(input_index)
diff --git a/modules/nf-core/samtools/view/main.nf b/modules/nf-core/samtools/view/main.nf
index 94da5d6..729c85e 100644
--- a/modules/nf-core/samtools/view/main.nf
+++ b/modules/nf-core/samtools/view/main.nf
@@ -2,10 +2,10 @@ process SAMTOOLS_VIEW {
     tag "$meta.id"
     label 'process_low'
 
-    conda (params.enable_conda ? "bioconda::samtools=1.15.1" : null)
+    conda "bioconda::samtools=1.16.1"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/samtools:1.15.1--h1170115_0' :
-        'quay.io/biocontainers/samtools:1.15.1--h1170115_0' }"
+        'https://depot.galaxyproject.org/singularity/samtools:1.16.1--h6899075_1' :
+        'quay.io/biocontainers/samtools:1.16.1--h6899075_1' }"
 
     input:
     tuple val(meta), path(input), path(index)
@@ -26,6 +26,7 @@ process SAMTOOLS_VIEW {
 
     script:
     def args = task.ext.args ?: ''
+    def args2 = task.ext.args2 ?: ''
     def prefix = task.ext.prefix ?: "${meta.id}"
     def reference = fasta ? "--reference ${fasta}" : ""
     def readnames = qname ? "--qname-file ${qname}": ""
@@ -42,7 +43,8 @@ process SAMTOOLS_VIEW {
         ${readnames} \\
         $args \\
         -o ${prefix}.${file_type} \\
-        $input
+        $input \\
+        $args2
 
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":
diff --git a/modules/nf-core/untar/main.nf b/modules/nf-core/untar/main.nf
index 71eea7b..16bccc9 100644
--- a/modules/nf-core/untar/main.nf
+++ b/modules/nf-core/untar/main.nf
@@ -2,7 +2,7 @@ process UNTAR {
     tag "$archive"
     label 'process_single'
 
-    conda (params.enable_conda ? "conda-forge::sed=4.7" : null)
+    conda "conda-forge::sed=4.7"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://depot.galaxyproject.org/singularity/ubuntu:20.04' :
         'ubuntu:20.04' }"
diff --git a/subworkflows/local/shortread_hostremoval.nf b/subworkflows/local/shortread_hostremoval.nf
index 04c8556..71ebb08 100644
--- a/subworkflows/local/shortread_hostremoval.nf
+++ b/subworkflows/local/shortread_hostremoval.nf
@@ -19,7 +19,7 @@ workflow SHORTREAD_HOSTREMOVAL {
     ch_multiqc_files  = Channel.empty()
 
     if ( !params.shortread_hostremoval_index ) {
-        ch_bowtie2_index = BOWTIE2_BUILD ( reference ).index
+        ch_bowtie2_index = BOWTIE2_BUILD ( [ [], reference ] ).index
         ch_versions      = ch_versions.mix( BOWTIE2_BUILD.out.versions )
     } else {
         ch_bowtie2_index = index.first()

From 719fc3cf5d322c44c6c2e41ff7b2f1ab4ebfdd64 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Wed, 11 Jan 2023 16:46:30 +0100
Subject: [PATCH 586/789] Update docs/output.md

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 docs/output.md | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/docs/output.md b/docs/output.md
index f4ce4a2..c0f24b5 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -29,6 +29,8 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d
 - [Centrifuge](#centrifuge) - Taxonomic classifier that uses a novel indexing scheme based on the Burrows-Wheeler transform (BWT) and the Ferragina-Manzini (FM) index.
 - [Kaiju](#kaiju) - Taxonomic classifier that finds maximum (in-)exact matches on the protein-level.
 - [Diamond](#diamond) - Sequence aligner for protein and translated DNA searches.
+- [MALT](#malt)  - Sequence alignment and analysis tool designed for processing high-throughput sequencing data, especially in the context of metagenomics
+- [MetaPhlAn3](#metaphlan3) - Genome-level marker gene based taxonomic classifier
 - [mOTUs](#motus) - Tool for marker gene-based OTU (mOTU) profiling.
 - [MultiQC](#multiqc) - Aggregate report describing results and QC from the whole pipeline
 - [Pipeline information](#pipeline-information) - Report metrics generated during the workflow execution

From 953f9585c9404cb38c3d7a13649e521b4742da3c Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Wed, 11 Jan 2023 16:47:18 +0100
Subject: [PATCH 587/789] Update docs/output.md

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 docs/output.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/output.md b/docs/output.md
index c0f24b5..44ec0e3 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -235,7 +235,7 @@ You will only recieve the FASTQs and `*classifiedreads.txt` file if you supply `
 <summary>Output files</summary>
 
 - `krakenuniq/`
-  - <db_name>/
+  - `<db_name>/`
     - `<sample_id>_<db_name>.classified.fastq.gz`: FASTQ file containing all reads that had a hit against a reference in the database for a given sample
     - `<sample_id>_<db_name>.unclassified.fastq.gz`: FASTQ file containing all reads that did not have a hit in the database for a given sample
     - `<sample_id>_<db_name>.report.txt`: A Kraken2-style report that summarises the fraction abundance, taxonomic ID, number of Kmers, taxonomic path of all the hits, with an additional column for k-mer coverage, that allows for more accurate distinguishing between false-positive/true-postitive hits

From a49a907ad195b81b3d0e2cee49f5154d51ebc74b Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Wed, 11 Jan 2023 16:47:44 +0100
Subject: [PATCH 588/789] Update docs/output.md

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 docs/output.md | 38 ++++++++++++++++++++++++++++++++++++++
 1 file changed, 38 insertions(+)

diff --git a/docs/output.md b/docs/output.md
index 44ec0e3..c410fc0 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -284,6 +284,44 @@ You will only receive the FASTQs and `*classifiedreads.txt` file if you supply `
 
 </details>
 
+### MALT
+
+[MALT](https://software-ab.cs.uni-tuebingen.de/download/malt) is a fast replacement for BLASTX, BLASTP and BLASTN, and provides both local and semi-global alignment capabilities.
+
+<details markdown="1">
+<summary>Output files</summary>
+
+- `malt/`
+  - `<db_name>/`
+  - `<sample_id>.blastn.sam`: sparse SAM file containing alignments of each hit
+  - `<sample_id>.megan`:  summary file that can be loaded into the [MEGAN6](https://uni-tuebingen.de/fakultaeten/mathematisch-naturwissenschaftliche-fakultaet/fachbereiche/informatik/lehrstuehle/algorithms-in-bioinformatics/software/megan6/) interactive viewer. Generated by MEGAN6 companion tool `rma2info`
+  - `<sample_id>.rma6`: binary file containing all alignments and taxonomic information of hits that can be loaded into the [MEGAN6](https://uni-tuebingen.de/fakultaeten/mathematisch-naturwissenschaftliche-fakultaet/fachbereiche/informatik/lehrstuehle/algorithms-in-bioinformatics/software/megan6/) interactive viewer
+  - `<sample_id>.txt.gz`: text file containing taxonomic IDs and read counts against each taxon. Generated by MEGAN6 companion tool `rma2info`
+
+</details>
+
+The main output of MALT is the `.rma6` file format, which can be only loaded into MEGAN and it's related tools. We provide the `rma2info` text files for improved compatibility with spreadsheet programs and other programmtic data manipulation tools, however this has only limited information compared to the 'binary' RMA6 file format (the `txt` file only contains taxonomic ID and count, whereas RMA6 has taxonomic lineage information).
+
+You will only recieve the `.sam` and `.megan` files if you supply `--malt_save_reads` and/or `--malt_generate_megansummary` parameters to the pipeline.
+
+
+### MetaPhlAn3
+
+[MetaPhlAn3](https://github.com/biobakery/metaphlan) is a computational tool for profiling the composition of microbial communities (Bacteria, Archaea and Eukaryotes) from metagenomic shotgun sequencing data (i.e. not 16S) with species-level resolution via marker genes.
+
+<details markdown="1">
+<summary>Output files</summary>
+
+- `metaphlan3/`
+  - `metaphlan3_<db_name>_combined_reports.txt`: A combined profile of all samples aligned to a given database (as generated by `metaphlan_merge_tables`)
+  - `<db_name>/`
+    - `<sample_id>.biom`: taxonomic profile in BIOM format
+    - `<sample_id>.bowtie2out.txt`:  BowTie2 alignment information (can be re-used for skipping alignment when re-running MetaPhlAn3 with different parameters)
+    - `<sample_id>_profile.txt`: MetaPhlAn3 taxonomic profile including abundance estimates
+
+</details>
+
+The main taxonomic profiling file from MetaPhlAn3 is the `*_profile.txt` file. This provides the abundance estimates from MetaPhlAn3 however does not include raw counts by default. 
 ### mOTUs
 
 <details markdown="1">

From 33bce738f502b2fdfc8c77d14abc4a973dde4b26 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Wed, 11 Jan 2023 16:50:06 +0100
Subject: [PATCH 589/789] Update docs/output.md

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 docs/output.md | 15 +++++++++++++++
 1 file changed, 15 insertions(+)

diff --git a/docs/output.md b/docs/output.md
index c410fc0..2fae37a 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -332,6 +332,21 @@ The main taxonomic profiling file from MetaPhlAn3 is the `*_profile.txt` file. T
   - `<sample_id>.out`
 
 </details>
+### Krona
+
+[Krona](https://github.com/marbl/Krona) is Krona allows the exploration of (metagenomic) hierarchical data with interactive zooming, multi-layered pie charts.
+
+Krona charts will be generated by the pipeline for supported tools (Kraken2, Centrifuge, Kaiju, and MALT) 
+
+<details markdown="1">
+<summary>Output files</summary>
+
+- `krona/`
+  - `<tool_name>_<db_name>.html`: per-tool/per-database interactive HTML file containing hierarchical piecharts
+
+</details>
+
+The resulting HTML files can be loaded into your web browser for exploration. Each file will have a dropdown to allow you to switch between each sample aligned against the given database of the tool.
 
 ### MultiQC
 

From 9f2118197232aa8b3e9bd847c08ea7ebe5cca608 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Thu, 12 Jan 2023 15:47:29 +0100
Subject: [PATCH 590/789] Add documentation for output docs

---
 docs/output.md | 39 ++++++++++++++++++++++-----------------
 1 file changed, 22 insertions(+), 17 deletions(-)

diff --git a/docs/output.md b/docs/output.md
index 2fae37a..ef791e1 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -64,6 +64,8 @@ fastp can automatically detect adapter sequences for Illumina data.
 <summary>Output files</summary>
 
 - `fastp`
+  - `<sample_id>.fastp.fastq.gz`: File with the trimmed unmerged fastq reads.
+  - `<sample_id>.merged.fastq.gz`: File with the reads that were successfully merged.
 
 </details>
 
@@ -95,7 +97,7 @@ Note that the FASTQ files may _not_ always be the 'final' reads that go into tax
 <summary>Output files</summary>
 
 - `porechop`
-  - `<sample_id>.fastq.gz`
+  - `<sample_id>.fastq.gz`: Adapter-trimmed file
 
 </details>
 
@@ -143,8 +145,8 @@ Note that the FASTQ file(s) may _not_ always be the 'final' reads that go into t
 <summary>Output files</summary>
 
 - `filtlong`
-  - `<sample_id>_filtered.fastq.g`
-  - `<sample_id>_filtered.log`
+  - `<sample_id>_filtered.fastq.gz`: Quality or short read data filtered file
+  - `<sample_id>_filtered.log`: log file containing summary statistics
 
 </details>
 
@@ -174,7 +176,7 @@ Note that the FASTQ file(s) may _not_ always be the 'final' reads that go into t
 <summary>Output files</summary>
 
 - `minimap2`
-  - `<sample_id>.bam`
+  - `<sample_id>.bam`: Alignment file in bam format
 
 </details>
 
@@ -184,7 +186,7 @@ Note that the FASTQ file(s) may _not_ always be the 'final' reads that go into t
 <summary>Output files</summary>
 
 - `samtoolsstats`
-  - `<sample_id>.stats`
+  - `<sample_id>.stats`: File containing samtools stats output
 
 </details>
 
@@ -204,7 +206,7 @@ Note that the FASTQ file(s) may _not_ always be the 'final' reads that go into t
 
 </details>
 
-The main taxonomic profiling file from KrakenUniq is the `*.tsv` file. This provides the basic results from Kraken2 but with the corrected abundance information. 
+The main taxonomic profiling file from KrakenUniq is the `*.tsv` file. This provides the basic results from Kraken2 but with the corrected abundance information.
 
 ### Kraken2
 
@@ -256,10 +258,11 @@ You will only receive the FASTQs and `*classifiedreads.txt` file if you supply `
 <summary>Output files</summary>
 
 - `centrifuge`
-  - `<sample_id>.centrifuge.mapped.fastq.gz`
-  - `<sample_id>.centrifuge.report.txt`
-  - `<sample_id>.centrifuge.results.txt`
-  - `<sample_id>.centrifuge.unmapped.fastq.gz`
+  - `<sample_id>.centrifuge.mapped.fastq.gz`: Fastq files containing all mapped reads
+  - `<sample_id>.centrifuge.report.txt`: A classification report that summarises the taxonomic ID, the taxonomic rank, length of genome sequence, number of classified and uniquely classified reads
+  - `<sample_id>.centrifuge.results.txt`: A file that summarises the classification assignment for a read, i.e read ID, sequence ID, score for the classification, score for the next best classification, number of classifications for this read
+  - `<sample_id>.centrifuge.txt`: A Kraken2-style report that summarises the fraction abundance, taxonomic ID, number of k-mers, taxonomic path of all the hits in the centrifuge run for a given sample
+  - `<sample_id>.centrifuge.unmapped.fastq.gz`: Fastq file containing all unmapped reads
 
 </details>
 
@@ -269,7 +272,8 @@ You will only receive the FASTQs and `*classifiedreads.txt` file if you supply `
 <summary>Output files</summary>
 
 - `kaiju`
-  - `<sample_id>.tsv`
+  - `<sample_id>.tsv`: A file that summarises the fraction abundance, taxonomic ID, number of reads and taxonomic names
+  - `kaiju_<db_name>_combined_reports.txt`: A combined profile of all samples aligned to a given database (as generated by `kaiju2table`)
 
 </details>
 
@@ -279,8 +283,8 @@ You will only receive the FASTQs and `*classifiedreads.txt` file if you supply `
 <summary>Output files</summary>
 
 - `diamond`
-  - `<sample_id>.log`
-  - `<sample_id>.sam`
+  - `<sample_id>.log`: A log file containing stdout information
+  - `<sample_id>.sam`: A file in SAM format that contains the aligned reads
 
 </details>
 
@@ -321,22 +325,23 @@ You will only recieve the `.sam` and `.megan` files if you supply `--malt_save_r
 
 </details>
 
-The main taxonomic profiling file from MetaPhlAn3 is the `*_profile.txt` file. This provides the abundance estimates from MetaPhlAn3 however does not include raw counts by default. 
+The main taxonomic profiling file from MetaPhlAn3 is the `*_profile.txt` file. This provides the abundance estimates from MetaPhlAn3 however does not include raw counts by default.
 ### mOTUs
 
 <details markdown="1">
 <summary>Output files</summary>
 
 - `motus`
-  - `<sample_id>.log`
-  - `<sample_id>.out`
+  - `<sample_id>.log`: A log file that contains summary statistics
+  - `<sample_id>.out`: A classification file that summarises taxonomic identifiers, by default at the rank of mOTUs (i.e., species level), and their relative abundances in the profiled sample.
+  - `motus_<db_name>_combined_reports.txt`: A combined profile of all samples aligned to a given database (as generated by `motus_merge`)
 
 </details>
 ### Krona
 
 [Krona](https://github.com/marbl/Krona) is Krona allows the exploration of (metagenomic) hierarchical data with interactive zooming, multi-layered pie charts.
 
-Krona charts will be generated by the pipeline for supported tools (Kraken2, Centrifuge, Kaiju, and MALT) 
+Krona charts will be generated by the pipeline for supported tools (Kraken2, Centrifuge, Kaiju, and MALT)
 
 <details markdown="1">
 <summary>Output files</summary>

From 0e3f9f0b9abbc56f7e6f6cd91442c3886f6258aa Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Mon, 16 Jan 2023 12:59:13 +0100
Subject: [PATCH 591/789] Update docs/output.md

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 docs/output.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/output.md b/docs/output.md
index ef791e1..1c33790 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -199,7 +199,7 @@ Note that the FASTQ file(s) may _not_ always be the 'final' reads that go into t
 <details markdown="1">
 <summary>Output files</summary>
 
-- `kraken2/`
+- `bracken/`
   - `bracken_<db_name>_combined_reports.txt`: combined bracken results as output from Bracken's `combine_bracken_outputs.py` script
   - `<db_name>/`
     - `<sample>_<db_name>.tsv`: TSV file containing per-sample summary of Bracken results with abundance information

From 06575b537d3f98b93be6ba656baed1a1e59568dd Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Mon, 16 Jan 2023 12:59:23 +0100
Subject: [PATCH 592/789] Update docs/output.md

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 docs/output.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/output.md b/docs/output.md
index 1c33790..ca15138 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -206,7 +206,7 @@ Note that the FASTQ file(s) may _not_ always be the 'final' reads that go into t
 
 </details>
 
-The main taxonomic profiling file from KrakenUniq is the `*.tsv` file. This provides the basic results from Kraken2 but with the corrected abundance information.
+The main taxonomic profiling file from Bracken is the `*.tsv` file. This provides the basic results from Kraken2 but with the corrected abundance information.
 
 ### Kraken2
 

From d6fa45b500af1944b9ea44ff4e74730cd5603cd3 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 16 Jan 2023 14:39:52 +0100
Subject: [PATCH 593/789] update MultiQC and include latest modules

---
 assets/multiqc_config.yml       | 128 ++++++++++++++++++++++----------
 conf/modules.config             |   1 -
 modules.json                    |   2 +-
 modules/nf-core/multiqc/main.nf |   6 +-
 4 files changed, 93 insertions(+), 44 deletions(-)

diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml
index 6bc13c2..ba615df 100644
--- a/assets/multiqc_config.yml
+++ b/assets/multiqc_config.yml
@@ -19,9 +19,10 @@ custom_logo_title: "nf-core/taxprofiler"
 run_modules:
   - fastqc
   - adapterRemoval
+  - fastp
   - bbduk
   - prinseqplusplus
-  - fastp
+  - porechop
   - filtlong
   - bowtie2
   - minimap2
@@ -32,9 +33,13 @@ run_modules:
   - diamond
   - malt
   - motus
-  - porechop
   - custom_content
 
+sp:
+  diamond:
+    contents: "diamond v"
+    num_lines: 10
+
 #extra_fn_clean_exts:
 #    - '_fastp'
 #    - '.pe.settings'
@@ -102,9 +107,10 @@ table_columns_placement:
   FastQC (pre-Trimming):
     total_sequences: 100
     avg_sequence_length: 110
-    percent_duplicates: 120
-    percent_gc: 130
-    percent_fails: 140
+    median_sequence_length: 120
+    percent_duplicates: 130
+    percent_gc: 140
+    percent_fails: 150
   Falco (pre-Trimming):
     total_sequences: 200
     avg_sequence_length: 210
@@ -118,43 +124,63 @@ table_columns_placement:
     after_filtering_gc_content: 330
     after_filtering_q30_rate: 340
     after_filtering_q30_bases: 350
+    filtering_result_passed_filter_reads: 360
   Adapter Removal:
     aligned_total: 360
     percent_aligned: 370
     percent_collapsed: 380
     percent_discarded: 390
+  Porechop:
+    Input Reads: 400
+    Start Trimmed: 410
+    Start Trimmed Percent: 420
+    End Trimmed: 430
+    End Trimmed Percent: 440
+    Middle Split: 450
+    Middle Split Percent: 460
+  Filtlong:
+    Target bases: 500
   FastQC (post-Trimming):
-    total_sequences: 400
-    avg_sequence_length: 410
-    percent_duplicates: 420
-    percent_gc: 430
-    percent_fails: 440
+    total_sequences: 600
+    avg_sequence_length: 610
+    median_sequence_length: 620
+    percent_duplicates: 630
+    percent_gc: 640
+    percent_fails: 650
   Falco (post-Trimming):
-    total_sequences: 500
-    avg_sequence_length: 510
-    percent_duplicates: 520
-    percent_gc: 530
-    percent_fails: 540
+    total_sequences: 700
+    avg_sequence_length: 710
+    percent_duplicates: 720
+    percent_gc: 730
+    percent_fails: 740
+  BBDuk:
+    Input reads: 800
+    Total Removed bases percent: 810
+    Total Removed bases: 820
+    Total Removed reads percent: 830
+    Total Removed reads: 840
+  PRINSEQ++:
+    prinseqplusplus_total: 900
   bowtie2:
-    overall_alignment_rate: 600
+    overall_alignment_rate: 1000
   Samtools Stats:
-    raw_total_sequences: 700
-    reads_mapped: 710
-    reads_mapped_percent: 720
-    reads_properly_paired_percent: 730
-    non-primary_alignments: 740
-    reads_MQ0_percent: 750
-    error_rate: 760
+    raw_total_sequences: 1100
+    reads_mapped: 1110
+    reads_mapped_percent: 1120
+    reads_properly_paired_percent: 1130
+    non-primary_alignments: 1140
+    reads_MQ0_percent: 1150
+    error_rate: 1160
   MALT:
-    Num. of queries: 1000
-    Total reads: 1100
-    Mappability: 1200
-    Assig. Taxonomy: 1300
-    Taxonomic assignment success: 1400
+    "Num. of queries": 1200
+    Total reads: 1210
+    Mappability: 1220
+    Assig. Taxonomy: 1230
+    Taxonomic assignment success: 1240
   Kaiju:
-    assigned: 2000
-    "% Assigned": 2100
-    "% Unclassified": 2200
+    assigned: 1300
+    "% Assigned": 1310
+    "% Unclassified": 1320
 
 table_columns_visible:
   FastQC (pre-Trimming):
@@ -176,6 +202,16 @@ table_columns_visible:
     after_filtering_gc_content: False
     after_filtering_q30_rate: False
     after_filtering_q30_bases: False
+  porechop:
+    Input reads: False
+    Start Trimmed:
+    Start Trimmed Percent: True
+    End Trimmed: False
+    End Trimmed Percent: True
+    Middle Split: False
+    Middle Split Percent: True
+  Filtlong:
+    Target bases: True
   Adapter Removal:
     aligned_total: True
     percent_aligned: True
@@ -193,6 +229,14 @@ table_columns_visible:
     percent_duplicates: False
     percent_gc: False
     percent_fails: False
+  BBDuk:
+    Input reads: False
+    Total Removed bases Percent: False
+    Total Removed bases: False
+    Total Removed reads percent: True
+    Total Removed reads: False
+  "PRINSEQ++":
+    prinseqplusplus_total: True
   bowtie2:
     overall_alignment_rate: True
   Samtools Stats:
@@ -212,16 +256,19 @@ table_columns_visible:
   Centrifuge:
     "% Unclassified": True
     "% Top 5": False
+  DIAMOND:
+    queries_aligned: True
+  Kaiju:
+    assigned: False
+    "% Assigned": False
+    "% Unclassified": True
   MALT:
-    Num. of queries: True
+    "Num. of queries": True
     Total reads: True
     Mappability: True
     Assig. Taxonomy: False
     Taxonomic assignment success: True
-  Kaiju:
-    assigned: False
-    "% Assigned": False
-    "% Unclassified": True
+
 table_columns_name:
   FastQC (pre-Trimming):
     total_sequences: "Nr. Input Reads"
@@ -253,7 +300,10 @@ table_columns_name:
     reads_mapped_percent: "% Mapped Reads"
 
 extra_fn_clean_exts:
-  - ".kraken2.kraken2.report.txt"
-  - ".centrifuge.txt"
-  - ".bracken.kraken2.report.txt"
+  - "kraken2.report.txt"
+  - ".txt"
   - ".settings"
+  - ".bbduk"
+  - ".unmapped"
+  - "_filtered"
+  - "_processed"
diff --git a/conf/modules.config b/conf/modules.config
index b31383a..5920a58 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -300,7 +300,6 @@ process {
         ext.args =  [
                 params.shortread_complexityfilter_prinseqplusplus_mode == 'dust' ? "-lc_dust=${params.shortread_complexityfilter_prinseqplusplus_dustscore}" : "-lc_entropy=${params.shortread_complexityfilter_entropy}",
                 "-trim_qual_left=0 -trim_qual_left=0 -trim_qual_window=0 -trim_qual_step=0",
-                "-VERBOSE 2"
             ].join(' ').trim()
         ext.prefix = { "${meta.id}-${meta.run_accession}" }
         publishDir = [
diff --git a/modules.json b/modules.json
index 0ce4614..3d54d9d 100644
--- a/modules.json
+++ b/modules.json
@@ -173,7 +173,7 @@
                     },
                     "multiqc": {
                         "branch": "master",
-                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
+                        "git_sha": "ee80d14721e76e2e079103b8dcd5d57129e584ba",
                         "installed_by": ["modules"]
                     },
                     "porechop/porechop": {
diff --git a/modules/nf-core/multiqc/main.nf b/modules/nf-core/multiqc/main.nf
index 68f66be..4b60474 100644
--- a/modules/nf-core/multiqc/main.nf
+++ b/modules/nf-core/multiqc/main.nf
@@ -1,10 +1,10 @@
 process MULTIQC {
     label 'process_single'
 
-    conda "bioconda::multiqc=1.13"
+    conda "bioconda::multiqc=1.14"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/multiqc:1.13--pyhdfd78af_0' :
-        'quay.io/biocontainers/multiqc:1.13--pyhdfd78af_0' }"
+        'https://depot.galaxyproject.org/singularity/multiqc:1.14--pyhdfd78af_0' :
+        'quay.io/biocontainers/multiqc:1.14--pyhdfd78af_0' }"
 
     input:
     path  multiqc_files, stageAs: "?/*"

From b34a021db73f6fa1bb27a444d3f16959fa7f6eae Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Mon, 16 Jan 2023 14:43:46 +0100
Subject: [PATCH 594/789] Specify the difference between
 classification/profiling

---
 README.md     |  4 ++--
 docs/usage.md | 30 +++++++++++++++---------------
 2 files changed, 17 insertions(+), 17 deletions(-)

diff --git a/README.md b/README.md
index ba4022f..080a75b 100644
--- a/README.md
+++ b/README.md
@@ -16,7 +16,7 @@
 
 <!-- TODO nf-core: Write a 1-2 sentence summary of what data the pipeline is for and what it does -->
 
-**nf-core/taxprofiler** is a bioinformatics best-practice analysis pipeline for taxonomic profiling of shotgun metagenomic data. It allows for in-parallel profiling with multiple profiling tools against multiple databases, produces standardised output tables.
+**nf-core/taxprofiler** is a bioinformatics best-practice analysis pipeline for taxonomic classification and profiling of shotgun metagenomic data. It allows for in-parallel taxonomic identification of reads or taxonomic abundance estimation with multiple classification and profiling tools against multiple databases, produces standardised output tables.
 
 The pipeline is built using [Nextflow](https://www.nextflow.io), a workflow tool to run tasks across multiple compute infrastructures in a very portable manner. It uses Docker/Singularity containers making installation trivial and results highly reproducible. The [Nextflow DSL2](https://www.nextflow.io/docs/latest/dsl2.html) implementation of this pipeline uses one container per process which makes it much easier to maintain and update software dependencies. Where possible, these processes have been submitted to and installed from [nf-core/modules](https://github.com/nf-core/modules) in order to make them available to all nf-core pipelines, and to everyone within the Nextflow community!
 
@@ -37,7 +37,7 @@ On release, automated continuous integration tests run the pipeline on a full-si
    - Host-read removal (short-read: [BowTie2](http://bowtie-bio.sourceforge.net/bowtie2/); long-read: [Minimap2](https://github.com/lh3/minimap2))
    - Run merging
 3. Supports statistics for host-read removal ([Samtools](http://www.htslib.org/))
-4. Performs taxonomic profiling using one or more of:
+4. Performs taxonomic classification and/or profiling using one or more of:
    - [Kraken2](https://ccb.jhu.edu/software/kraken2/)
    - [MetaPhlAn3](https://huttenhower.sph.harvard.edu/metaphlan/)
    - [MALT](https://uni-tuebingen.de/fakultaeten/mathematisch-naturwissenschaftliche-fakultaet/fachbereiche/informatik/lehrstuehle/algorithms-in-bioinformatics/software/malt/)
diff --git a/docs/usage.md b/docs/usage.md
index 9539a5a..d14198a 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -64,9 +64,9 @@ An [example samplesheet](../assets/samplesheet.csv) has been provided with the p
 
 ### Full database sheet
 
-nf-core/taxprofiler supports multiple databases being profiled in parallel for each tool.
+nf-core/taxprofiler supports multiple databases being classified/profiled against in parallel for each tool.
 Databases can be supplied either in the form of a compressed `.tar.gz` archive of a directory containing all relevant database files or the path to a directory on the filesystem.
-The pipeline takes the locations and specific profiling parameters of the tool of these databases as input via a four column comma-separated sheet.
+The pipeline takes the locations and specific classification/profiling parameters of the tool of these databases as input via a four column comma-separated sheet.
 
 > ⚠️ nf-core/taxprofiler does not provide any databases by default, nor does it currently generate them for you. This must be performed manually by the user. See below for more information of the expected database files.
 
@@ -90,10 +90,10 @@ Column specifications are as follows:
 | ----------- | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
 | `tool`      | Taxonomic profiling tool (supported by nf-core/taxprofiler) that the database has been indexed for [required]. Please note that `bracken` also implies running `kraken2` on the same database.                                                                                                                                                                                                                                                                 |
 | `db_name`   | A unique name per tool for the particular database [required]. Please note that names need to be unique across both `kraken2` and `bracken` as well, even if re-using the same database.                                                                                                                                                                                                                                                                       |
-| `db_params` | Any parameters of the given taxonomic profiler that you wish to specify that the taxonomic profiling tool should use when profiling against this specific. Can be empty to use taxonomic profiler defaults. Must not be surrounded by quotes [required]. We generally do not recommend specifying parameters here that turn on/off saving of output files or specifying particular file extensions - this should be already addressed via pipeline parameters. |
+| `db_params` | Any parameters of the given taxonomic classifier/profiler that you wish to specify that the taxonomic classifier/profiling tool should use when profiling against this specific database. Can be empty to use taxonomic classifier/profiler defaults. Must not be surrounded by quotes [required]. We generally do not recommend specifying parameters here that turn on/off saving of output files or specifying particular file extensions - this should be already addressed via pipeline parameters. |
 | `db_path`   | Path to the database. Can either be a path to a directory containing the database index files or a `.tar.gz` file which contains the compressed database directory with the same name as the tar archive, minus `.tar.gz` [required].                                                                                                                                                                                                                          |
 
-> 💡 You can also specify the same database directory/file twice (ensuring unique `db_name`s) and specify different parameters for each database to compare the effect of different parameters during profiling.
+> 💡 You can also specify the same database directory/file twice (ensuring unique `db_name`s) and specify different parameters for each database to compare the effect of different parameters during classification/profiling.
 
 nf-core/taxprofiler will automatically decompress and extract any compressed archives for you.
 
@@ -120,7 +120,7 @@ nextflow run nf-core/taxprofiler --input samplesheet.csv --databases databases.c
 
 This will launch the pipeline with the `docker` configuration profile. See below for more information about profiles.
 
-When running nf-core/taxprofiler, every step and tool is 'opt in'. To run a given profiler you must make sure to supply both a database in your `<database>.csv` and supply `--run_<profiler>` flag to your command. Omitting either will result in the profiling tool not executing. If you wish to perform pre-processing (adapter clipping, merge running etc.) or post-processing (visualisation) steps, these are also opt in with a `--perform_<step>` flag. In some cases, the pre- and post-processing steps may also require additional files. Please check the parameters tab of this documentation for more information.
+When running nf-core/taxprofiler, every step and tool is 'opt in'. To run a given classifier/profiler you must make sure to supply both a database in your `<database>.csv` and supply `--run_<profiler>` flag to your command. Omitting either will result in the classification/profiling tool not executing. If you wish to perform pre-processing (adapter clipping, merge running etc.) or post-processing (visualisation) steps, these are also opt in with a `--perform_<step>` flag. In some cases, the pre- and post-processing steps may also require additional files. Please check the parameters tab of this documentation for more information.
 
 Note that the pipeline will create the following files in your working directory:
 
@@ -153,9 +153,9 @@ It is highly recommended to run this on raw reads to remove artifacts from seque
 There are currently two options for short-read preprocessing: [`fastp`](https://github.com/OpenGene/fastp) or [`adapterremoval`](https://github.com/MikkelSchubert/adapterremoval).
 
 For adapter clipping, you can either rely on the tool's default adapter sequences, or supply your own adapters (`--shortread_qc_adapter1` and `--shortread_qc_adapter2`)
-By default, paired-end merging is not activated. In this case paired-end 'alignment' against the reference databases is performed where supported, and if not, supported pairs will be independently profiled. If paired-end merging is activated you can also specify whether to include unmerged reads in the reads sent for profiling (`--shortread_qc_mergepairs` and `--shortread_qc_includeunmerged`).
+By default, paired-end merging is not activated. In this case paired-end 'alignment' against the reference databases is performed where supported, and if not, supported pairs will be independently classified/profiled. If paired-end merging is activated you can also specify whether to include unmerged reads in the reads sent for classification/profiling (`--shortread_qc_mergepairs` and `--shortread_qc_includeunmerged`).
 You can also turn off clipping and only perform paired-end merging, if requested. This can be useful when processing data downloaded from the ENA, SRA, or DDBJ (`--shortread_qc_skipadaptertrim`).
-Both tools support length filtering of reads and can be tuned with `--shortread_qc_minlength`. Performing length filtering can be useful to remove short (often low sequencing complexity) sequences that result in unspecific classification and therefore slow down runtime during profiling, with minimal gain.
+Both tools support length filtering of reads and can be tuned with `--shortread_qc_minlength`. Performing length filtering can be useful to remove short (often low sequencing complexity) sequences that result in unspecific classification and therefore slow down runtime during classificationprofiling, with minimal gain.
 
 There is currently one option for long-read Oxford Nanopore processing: [`porechop`](https://github.com/rrwick/Porechop).
 
@@ -165,7 +165,7 @@ For both short-read and long-read preprocessing, you can optionally save the res
 
 Complexity filtering can be activated via the `--perform_shortread_complexityfilter` flag.
 
-Complexity filtering is primarily a run-time optimisation step. It is not necessary for accurate taxonomic profiling, however it can speed up run-time of each tool by removing reads with low-diversity of nucleotides (e.g. with mono-nucleotide - `AAAAAAAA`, or di-nucleotide repeats `GAGAGAGAGAGAGAG`) that have a low-chance of giving an informative taxonomic ID as they can be associated with many different taxa. Removing these reads therefore saves computational time and resources.
+Complexity filtering is primarily a run-time optimisation step. It is not necessary for accurate taxonomic classification/profiling, however it can speed up run-time of each tool by removing reads with low-diversity of nucleotides (e.g. with mono-nucleotide - `AAAAAAAA`, or di-nucleotide repeats `GAGAGAGAGAGAGAG`) that have a low-chance of giving an informative taxonomic ID as they can be associated with many different taxa. Removing these reads therefore saves computational time and resources.
 
 There are currently three options for short-read complexity filtering: [`bbduk`](https://jgi.doe.gov/data-and-tools/software-tools/bbtools/bb-tools-user-guide/bbduk-guide/), [`prinseq++`](https://github.com/Adrian-Cantu/PRINSEQ-plus-plus), and [`fastp`](https://github.com/OpenGene/fastp#low-complexity-filter).
 
@@ -179,11 +179,11 @@ You can optionally save the FASTQ output of the run merging with the `--save_com
 
 #### Host Removal
 
-Removal of possible-host reads from FASTQ files prior profiling can be activated with `--perform_shortread_hostremoval` or `--perform_longread_hostremoval`.
+Removal of possible-host reads from FASTQ files prior classification/profiling can be activated with `--perform_shortread_hostremoval` or `--perform_longread_hostremoval`.
 
-Similarly to complexity filtering, host-removal can be useful for runtime optimisation and reduction in misclassified reads. It is not always necessary to report classification of reads from a host when you already know the host of the sample, therefore you can gain a run-time and computational advantage by removing these prior typically resource-heavy profiling with more efficient methods. Furthermore, particularly with human samples, you can reduce the number of false positives during profiling that occur due to host-sequence contamination in reference genomes on public databases.
+Similarly to complexity filtering, host-removal can be useful for runtime optimisation and reduction in misclassified reads. It is not always necessary to report classification of reads from a host when you already know the host of the sample, therefore you can gain a run-time and computational advantage by removing these prior typically resource-heavy classification/profiling with more efficient methods. Furthermore, particularly with human samples, you can reduce the number of false positives during classification/profiling that occur due to host-sequence contamination in reference genomes on public databases.
 
-nf-core/taxprofiler currently offers host-removal via alignment against a reference genome with Bowtie2, and the use of the unaligned reads for downstream profiling.
+nf-core/taxprofiler currently offers host-removal via alignment against a reference genome with Bowtie2, and the use of the unaligned reads for downstream classification/profiling.
 
 You can supply your reference genome in FASTA format with `--hostremoval_reference`. You can also optionally supply a directory containing pre-indexed Bowtie2 index files with `--shortread_hostremoval_index` or a minimap2 `.mmi` file for `--longread_hostremoval_index`, however nf-core/taxprofiler will generate these for you if necessary. Pre-supplying the index directory or files can greatly speed up the process, and these can be re-used.
 
@@ -195,11 +195,11 @@ For samples that may have been sequenced over multiple runs, or for FASTQ files
 
 For more information how to set up your input samplesheet, see [Multiple runs of the same sample](#multiple-runs-of-the-same-sample).
 
-Activating this functionality will concatenate the FASTQ files with the same sample name _after_ the optional preprocessing steps and _before_ profiling. Note that libraries with runs of different pairing types will **not** be merged and this will be indicated on output files with a `_se` or `_pe` suffix to the sample name accordingly.
+Activating this functionality will concatenate the FASTQ files with the same sample name _after_ the optional preprocessing steps and _before_ classification/profiling. Note that libraries with runs of different pairing types will **not** be merged and this will be indicated on output files with a `_se` or `_pe` suffix to the sample name accordingly.
 
 You can optionally save the FASTQ output of the run merging with the `--save_runmerged_reads`.
 
-#### Profiling
+#### Classification and Profiling
 
 The following suggestion gives you some tips and suggestions regarding running some of the different tools specifically _within the pipeline_. For advice as to which tool to run in your context, please see the documentation of each tool.
 
@@ -436,7 +436,7 @@ The following tutorials assumes you already have the tool available (e.g. instal
 
 #### Bracken custom database
 
-Bracken does not provide any default databases for profiling, but rather building upon Kraken2 databases. See [Kraken2](#kraken2-custom-database) for more information on how to build these.
+Bracken does not provide any default databases for classification/profiling, but rather building upon Kraken2 databases. See [Kraken2](#kraken2-custom-database) for more information on how to build these.
 
 In addition to a Kraken2 database, you also need to have the (average) read lengths (in bp) of your sequencing experiment, the K-mer size used to build the Kraken2 database, and Kraken2 available on your machine.
 
@@ -635,7 +635,7 @@ Please see the [KrakenUniq documentation](https://github.com/fbreitwieser/kraken
 
 #### MALT custom database
 
-MALT does not provide any default databases for profiling, therefore you must build your own.
+MALT does not provide any default databases for classification/profiling, therefore you must build your own.
 You need FASTA files to include, and an (unzipped) [MEGAN mapping 'db' file](https://software-ab.informatik.uni-tuebingen.de/download/megan6/) for your FASTA type.
 In addition to the input directory, output directory, and the mapping file database, you also need to specify the sequence type (DNA or Protein) with the `-s` flag.
 

From c8f6d713a34ab90db60210972020b5be53e82d45 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 16 Jan 2023 14:49:44 +0100
Subject: [PATCH 595/789] Add tool names to end of prefix files for easier
 distinguishing in general stats

---
 conf/modules.config | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 5920a58..ca4d9b3 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -350,7 +350,7 @@ process {
 
     withName: KRAKEN2_KRAKEN2 {
         ext.args = params.kraken2_save_minimizers ? { "${meta.db_params} --report-minimizer-data" } : { "${meta.db_params}" }
-        ext.prefix = params.perform_runmerging ? { meta.tool == "bracken" ? "${meta.id}-${meta.db_name}.bracken" : "${meta.id}-${meta.db_name}" } : { meta.tool == "bracken" ? "${meta.id}-${meta.run_accession}-${meta.db_name}.bracken" : "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+        ext.prefix = params.perform_runmerging ? { meta.tool == "bracken" ? "${meta.id}-${meta.db_name}.bracken" : "${meta.id}-${meta.db_name}.kraken" } : { meta.tool == "bracken" ? "${meta.id}-${meta.run_accession}-${meta.db_name}.bracken" : "${meta.id}-${meta.run_accession}-${meta.db_name}.kraken" }
         publishDir = [
             path: { "${params.outdir}/kraken2/${meta.db_name}/" },
             mode: params.publish_dir_mode,
@@ -389,7 +389,7 @@ process {
     withName: KRAKENUNIQ_PRELOADEDKRAKENUNIQ {
         ext.args = { "${meta.db_params}" }
         // one run with multiple samples, so fix ID to just db name to ensure clean log name
-        ext.prefix = { "${meta.db_name}" }
+        ext.prefix = { "${meta.db_name}.krakenuniq" }
         publishDir = [
             path: { "${params.outdir}/krakenuniq/${meta.db_name}/" },
             mode: params.publish_dir_mode,
@@ -432,7 +432,7 @@ process {
 
     withName: METAPHLAN3_METAPHLAN3 {
         ext.args = { "${meta.db_params}" }
-        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}.metaphlan3" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}.metaphlan3" }
         publishDir = [
             path: { "${params.outdir}/metaphlan3/${meta.db_name}/" },
             mode: params.publish_dir_mode,
@@ -480,7 +480,7 @@ process {
     }
 
     withName: KAIJU_KAIJU {
-        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}.kaiju" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}.kaiju" }
         publishDir = [
             path: { "${params.outdir}/kaiju/${meta.db_name}/" },
             mode: params.publish_dir_mode,
@@ -504,7 +504,7 @@ process {
 
     withName: DIAMOND_BLASTX {
         ext.args = { "${meta.db_params}" }
-        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}.diamond" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}.diamond" }
         publishDir = [
             path: { "${params.outdir}/diamond/${meta.db_name}/" },
             mode: params.publish_dir_mode,

From 0947e9b8ca8ca52930e4e521f23e4d2b8f04f8c6 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 16 Jan 2023 15:09:30 +0100
Subject: [PATCH 596/789] Fix mOTUs issues

---
 assets/multiqc_config.yml | 51 +++++++++++++++++++++++++++++++--------
 1 file changed, 41 insertions(+), 10 deletions(-)

diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml
index ba615df..ea36d43 100644
--- a/assets/multiqc_config.yml
+++ b/assets/multiqc_config.yml
@@ -171,16 +171,37 @@ table_columns_placement:
     non-primary_alignments: 1140
     reads_MQ0_percent: 1150
     error_rate: 1160
-  MALT:
-    "Num. of queries": 1200
-    Total reads: 1210
-    Mappability: 1220
-    Assig. Taxonomy: 1230
-    Taxonomic assignment success: 1240
+  Bracken:
+    "% Unclassified": 1200
+    "% Top 5": 1210
+  Centrifuge:
+    "% Unclassified": 1300
+    "% Top 5": 1310
+  diamond:
+    queries_aligned: 1400
   Kaiju:
-    assigned: 1300
-    "% Assigned": 1310
-    "% Unclassified": 1320
+    assigned: 1500
+    "% Assigned": 1510
+    "% Unclassified": 1520
+  Kraken:
+    "% Unclassified": 1600
+    "% Top 5": 1610
+  MALT:
+    "Num. of queries": 1700
+    Total reads: 1710
+    Mappability: 1720
+    Assig. Taxonomy: 1730
+    Taxonomic assignment success: 1740
+  motus:
+    Total number of reads: 1800
+    Number of reads after filtering: 1810
+    Total number of inserts: 1820
+    Unique mappers: 1830
+    Multiple mappers: 1840
+    Ignored multiple mapper without unique hit: 1850
+    "Number of ref-mOTUs": 1860
+    "Number of meta-mOTUs": 1870
+    "Number of ext-mOTUs": 1880
 
 table_columns_visible:
   FastQC (pre-Trimming):
@@ -256,7 +277,7 @@ table_columns_visible:
   Centrifuge:
     "% Unclassified": True
     "% Top 5": False
-  DIAMOND:
+  diamond:
     queries_aligned: True
   Kaiju:
     assigned: False
@@ -268,6 +289,16 @@ table_columns_visible:
     Mappability: True
     Assig. Taxonomy: False
     Taxonomic assignment success: True
+  motus:
+    Total number of reads: False
+    Number of reads after filtering: True
+    Total number of inserts: False
+    Unique mappers: True
+    Multiple mappers: True
+    Ignored multiple mapper without unique hit: False
+    "Number of ref-mOTUs": False
+    "Number of meta-mOTUs": False
+    "Number of ext-mOTUs": False
 
 table_columns_name:
   FastQC (pre-Trimming):

From 11400b016cbbda47e3082a6be244cd5e33af8fa4 Mon Sep 17 00:00:00 2001
From: nf-core-bot <core@nf-co.re>
Date: Mon, 16 Jan 2023 14:11:18 +0000
Subject: [PATCH 597/789] [automated] Fix linting with Prettier

---
 docs/usage.md | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/docs/usage.md b/docs/usage.md
index d14198a..c8fda1b 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -86,12 +86,12 @@ motus,db_mOTU,,/<path>/<to>/motus/motus_database/
 
 Column specifications are as follows:
 
-| Column      | Description                                                                                                                                                                                                                                                                                                                                                                                                                                                    |
-| ----------- | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
-| `tool`      | Taxonomic profiling tool (supported by nf-core/taxprofiler) that the database has been indexed for [required]. Please note that `bracken` also implies running `kraken2` on the same database.                                                                                                                                                                                                                                                                 |
-| `db_name`   | A unique name per tool for the particular database [required]. Please note that names need to be unique across both `kraken2` and `bracken` as well, even if re-using the same database.                                                                                                                                                                                                                                                                       |
+| Column      | Description                                                                                                                                                                                                                                                                                                                                                                                                                                                                                              |
+| ----------- | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
+| `tool`      | Taxonomic profiling tool (supported by nf-core/taxprofiler) that the database has been indexed for [required]. Please note that `bracken` also implies running `kraken2` on the same database.                                                                                                                                                                                                                                                                                                           |
+| `db_name`   | A unique name per tool for the particular database [required]. Please note that names need to be unique across both `kraken2` and `bracken` as well, even if re-using the same database.                                                                                                                                                                                                                                                                                                                 |
 | `db_params` | Any parameters of the given taxonomic classifier/profiler that you wish to specify that the taxonomic classifier/profiling tool should use when profiling against this specific database. Can be empty to use taxonomic classifier/profiler defaults. Must not be surrounded by quotes [required]. We generally do not recommend specifying parameters here that turn on/off saving of output files or specifying particular file extensions - this should be already addressed via pipeline parameters. |
-| `db_path`   | Path to the database. Can either be a path to a directory containing the database index files or a `.tar.gz` file which contains the compressed database directory with the same name as the tar archive, minus `.tar.gz` [required].                                                                                                                                                                                                                          |
+| `db_path`   | Path to the database. Can either be a path to a directory containing the database index files or a `.tar.gz` file which contains the compressed database directory with the same name as the tar archive, minus `.tar.gz` [required].                                                                                                                                                                                                                                                                    |
 
 > 💡 You can also specify the same database directory/file twice (ensuring unique `db_name`s) and specify different parameters for each database to compare the effect of different parameters during classification/profiling.
 

From 480248bcfd4545f74ace209ff1bd51d94d292ecd Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 17 Jan 2023 10:33:35 +0100
Subject: [PATCH 598/789] Deactivate all classifer columns from general stats

---
 assets/multiqc_config.yml | 30 ++++++++++++++----------------
 1 file changed, 14 insertions(+), 16 deletions(-)

diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml
index ea36d43..fbf61b6 100644
--- a/assets/multiqc_config.yml
+++ b/assets/multiqc_config.yml
@@ -177,7 +177,7 @@ table_columns_placement:
   Centrifuge:
     "% Unclassified": 1300
     "% Top 5": 1310
-  diamond:
+  DIAMOND:
     queries_aligned: 1400
   Kaiju:
     assigned: 1500
@@ -269,32 +269,30 @@ table_columns_visible:
     reads_MQ0_percent: False
     error_rate: False
   Kraken:
-    "% Unclassified": True
+    "% Unclassified": False
     "% Top 5": False
   Bracken:
-    "% Unclassified": True
-    "% Top 5": False
-  Centrifuge:
-    "% Unclassified": True
+    "% Unclassified": False
     "% Top 5": False
-  diamond:
-    queries_aligned: True
+  Centrifuge: False
+  DIAMOND:
+    queries_aligned: False
   Kaiju:
     assigned: False
     "% Assigned": False
-    "% Unclassified": True
+    "% Unclassified": False
   MALT:
-    "Num. of queries": True
-    Total reads: True
-    Mappability: True
+    "Num. of queries": False
+    Total reads: False
+    Mappability: False
     Assig. Taxonomy: False
-    Taxonomic assignment success: True
+    Taxonomic assignment success: False
   motus:
     Total number of reads: False
-    Number of reads after filtering: True
+    Number of reads after filtering: False
     Total number of inserts: False
-    Unique mappers: True
-    Multiple mappers: True
+    Unique mappers: False
+    Multiple mappers: False
     Ignored multiple mapper without unique hit: False
     "Number of ref-mOTUs": False
     "Number of meta-mOTUs": False

From 92dff9b4531adb96b4c8dd17739fa5c61c982d24 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 17 Jan 2023 10:58:30 +0100
Subject: [PATCH 599/789] Standardise file names using only underscore

---
 assets/multiqc_config.yml |  3 +++
 conf/modules.config       | 28 ++++++++++++++--------------
 2 files changed, 17 insertions(+), 14 deletions(-)

diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml
index fbf61b6..c35adfa 100644
--- a/assets/multiqc_config.yml
+++ b/assets/multiqc_config.yml
@@ -336,3 +336,6 @@ extra_fn_clean_exts:
   - ".unmapped"
   - "_filtered"
   - "_processed"
+
+section_comments:
+  general_stats: "By default, all read count columns are displayed as millions (M) of reads."
diff --git a/conf/modules.config b/conf/modules.config
index ca4d9b3..28ede9d 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -280,7 +280,7 @@ process {
                 "entropywindow=${params.shortread_complexityfilter_bbduk_windowsize}",
                 params.shortread_complexityfilter_bbduk_mask ?  "entropymask=t" : "entropymask=f"
             ].join(' ').trim()
-        ext.prefix = { "${meta.id}-${meta.run_accession}" }
+        ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [
             [
                 path: { "${params.outdir}/bbduk/" },
@@ -301,7 +301,7 @@ process {
                 params.shortread_complexityfilter_prinseqplusplus_mode == 'dust' ? "-lc_dust=${params.shortread_complexityfilter_prinseqplusplus_dustscore}" : "-lc_entropy=${params.shortread_complexityfilter_entropy}",
                 "-trim_qual_left=0 -trim_qual_left=0 -trim_qual_window=0 -trim_qual_step=0",
             ].join(' ').trim()
-        ext.prefix = { "${meta.id}-${meta.run_accession}" }
+        ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [
             [
                 path: { "${params.outdir}/prinseqplusplus/" },
@@ -350,7 +350,7 @@ process {
 
     withName: KRAKEN2_KRAKEN2 {
         ext.args = params.kraken2_save_minimizers ? { "${meta.db_params} --report-minimizer-data" } : { "${meta.db_params}" }
-        ext.prefix = params.perform_runmerging ? { meta.tool == "bracken" ? "${meta.id}-${meta.db_name}.bracken" : "${meta.id}-${meta.db_name}.kraken" } : { meta.tool == "bracken" ? "${meta.id}-${meta.run_accession}-${meta.db_name}.bracken" : "${meta.id}-${meta.run_accession}-${meta.db_name}.kraken" }
+        ext.prefix = params.perform_runmerging ? { meta.tool == "bracken" ? "${meta.id}_${meta.db_name}.bracken" : "${meta.id}_${meta.db_name}.kraken" } : { meta.tool == "bracken" ? "${meta.id}_${meta.run_accession}_${meta.db_name}.bracken" : "${meta.id}_${meta.run_accession}_${meta.db_name}.kraken" }
         publishDir = [
             path: { "${params.outdir}/kraken2/${meta.db_name}/" },
             mode: params.publish_dir_mode,
@@ -360,7 +360,7 @@ process {
 
     withName: BRACKEN_BRACKEN {
         errorStrategy = 'ignore'
-        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}.bracken" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}.bracken" }
+        ext.prefix = params.perform_runmerging ? { "${meta.id}_${meta.db_name}.bracken" } : { "${meta.id}_${meta.run_accession}_${meta.db_name}.bracken" }
         publishDir = [
             path: { "${params.outdir}/bracken/${meta.db_name}/" },
             mode: params.publish_dir_mode,
@@ -398,7 +398,7 @@ process {
     }
 
     withName: KRONA_CLEANUP {
-        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+        ext.prefix = params.perform_runmerging ? { "${meta.id}_${meta.db_name}" } : { "${meta.id}_${meta.run_accession}_${meta.db_name}" }
         publishDir = [
             path: { "${params.outdir}/krona/" },
             mode: params.publish_dir_mode,
@@ -407,7 +407,7 @@ process {
     }
 
     withName: KRONA_KTIMPORTTEXT {
-        ext.prefix = { "${meta.tool}-${meta.id}" }
+        ext.prefix = { "${meta.tool}_${meta.id}" }
         publishDir = [
             path: { "${params.outdir}/krona/" },
             mode: params.publish_dir_mode,
@@ -417,12 +417,12 @@ process {
 
     withName: 'MEGAN_RMA2INFO_KRONA' {
         ext.args = { "--read2class Taxonomy" }
-        ext.prefix = { "${meta.id}-${meta.db_name}" }
+        ext.prefix = { "${meta.id}_${meta.db_name}" }
     }
 
     withName: KRONA_KTIMPORTTAXONOMY {
         ext.args = "-i"
-        ext.prefix = { "${meta.tool}-${meta.id}" }
+        ext.prefix = { "${meta.tool}_${meta.id}" }
         publishDir = [
             path: { "${params.outdir}/krona/" },
             mode: params.publish_dir_mode,
@@ -432,7 +432,7 @@ process {
 
     withName: METAPHLAN3_METAPHLAN3 {
         ext.args = { "${meta.db_params}" }
-        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}.metaphlan3" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}.metaphlan3" }
+        ext.prefix = params.perform_runmerging ? { "${meta.id}_${meta.db_name}.metaphlan3" } : { "${meta.id}_${meta.run_accession}_${meta.db_name}.metaphlan3" }
         publishDir = [
             path: { "${params.outdir}/metaphlan3/${meta.db_name}/" },
             mode: params.publish_dir_mode,
@@ -456,13 +456,13 @@ process {
             pattern: '*.{txt,sam,gz}'
         ]
         ext.args = { "${meta.db_params}" }
-        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}.centrifuge" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}.centrifuge" }
+        ext.prefix = params.perform_runmerging ? { "${meta.id}_${meta.db_name}.centrifuge" } : { "${meta.id}_${meta.run_accession}_${meta.db_name}.centrifuge" }
     }
 
     withName: CENTRIFUGE_KREPORT {
         errorStrategy = {task.exitStatus == 255 ? 'ignore' : 'retry'}
         ext.args = { "${meta.db_params}" }
-        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}.centrifuge" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}.centrifuge" }
+        ext.prefix = params.perform_runmerging ? { "${meta.id}_${meta.db_name}.centrifuge" } : { "${meta.id}_${meta.run_accession}_${meta.db_name}.centrifuge" }
         publishDir = [
             path: { "${params.outdir}/centrifuge/${meta.db_name}/" },
             mode: params.publish_dir_mode,
@@ -480,7 +480,7 @@ process {
     }
 
     withName: KAIJU_KAIJU {
-        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}.kaiju" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}.kaiju" }
+        ext.prefix = params.perform_runmerging ? { "${meta.id}_${meta.db_name}.kaiju" } : { "${meta.id}_${meta.run_accession}_${meta.db_name}.kaiju" }
         publishDir = [
             path: { "${params.outdir}/kaiju/${meta.db_name}/" },
             mode: params.publish_dir_mode,
@@ -504,7 +504,7 @@ process {
 
     withName: DIAMOND_BLASTX {
         ext.args = { "${meta.db_params}" }
-        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}.diamond" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}.diamond" }
+        ext.prefix = params.perform_runmerging ? { "${meta.id}_${meta.db_name}.diamond" } : { "${meta.id}_${meta.run_accession}_${meta.db_name}.diamond" }
         publishDir = [
             path: { "${params.outdir}/diamond/${meta.db_name}/" },
             mode: params.publish_dir_mode,
@@ -520,7 +520,7 @@ process {
                 params.motus_save_mgc_read_counts ?  "-M ${task.ext.prefix}.mgc" : ""
             ].join(',').replaceAll(','," ")
             }
-        ext.prefix = params.perform_runmerging ? { "${meta.id}-${meta.db_name}" } : { "${meta.id}-${meta.run_accession}-${meta.db_name}" }
+        ext.prefix = params.perform_runmerging ? { "${meta.id}_${meta.db_name}" } : { "${meta.id}_${meta.run_accession}_${meta.db_name}" }
         publishDir = [
             path: { "${params.outdir}/motus/${meta.db_name}/" },
             mode: params.publish_dir_mode

From 33d4a84237596da6a76c04c682b0f29f1ec58d25 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 17 Jan 2023 15:23:59 +0100
Subject: [PATCH 600/789] Add explicit sentnece about classification/profiling

---
 docs/usage.md | 8 +++++++-
 1 file changed, 7 insertions(+), 1 deletion(-)

diff --git a/docs/usage.md b/docs/usage.md
index c8fda1b..51ce004 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -201,7 +201,13 @@ You can optionally save the FASTQ output of the run merging with the `--save_run
 
 #### Classification and Profiling
 
-The following suggestion gives you some tips and suggestions regarding running some of the different tools specifically _within the pipeline_. For advice as to which tool to run in your context, please see the documentation of each tool.
+The following suggestion gives you some tips and suggestions regarding running some of the different tools specifically _within the pipeline_.
+
+An important distinction between the different tools in included in the pipeline is classification versus profiling. Taxonomic _classification_ is concerned with simply detecting the presence of species in a given sample. Taxonomic _profiling_ involves additionally estimating the _abundance_ of each species.
+
+Note that not all taxonomic classification tools (e.g. Kraken, MALT, Kaiju) performs _profiling_, but all taxonomic profilers (e.g. MetaPhlAn, mOTUs, Bracken) must perform some form of _classification_ prior to profiling.
+
+For advice as to which tool to run in your context, please see the documentation of each tool.
 
 ###### Bracken
 

From 024b6836717c8fcd6efd9582d56429fba18797f8 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Tue, 17 Jan 2023 15:38:56 +0100
Subject: [PATCH 601/789] Update output and usage

---
 docs/output.md | 18 +++++++++++++++++-
 docs/usage.md  |  1 -
 2 files changed, 17 insertions(+), 2 deletions(-)

diff --git a/docs/output.md b/docs/output.md
index ca15138..3257860 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -58,7 +58,9 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d
 
 ### fastp
 
-fastp can automatically detect adapter sequences for Illumina data.
+[fastp](https://github.com/OpenGene/fastp) is a FASTQ pre-processing tool for quality control, trimmming of adapters, quality filtering and other features.
+
+It is used in nf-core/taxprofiler for adapter trimming of short-reads.
 
 <details markdown="1">
 <summary>Output files</summary>
@@ -141,6 +143,8 @@ Note that the FASTQ file(s) may _not_ always be the 'final' reads that go into t
 
 ### Filtlong
 
+[Filtlong](https://github.com/rrwick/Filtlong) is a quality filtering tool for long reads.
+
 <details markdown="1">
 <summary>Output files</summary>
 
@@ -172,6 +176,10 @@ Note that the FASTQ file(s) may _not_ always be the 'final' reads that go into t
 
 ### minimap2
 
+[minimap2](https://github.com/lh3/minimap2) is an alignment tool suited to mapping long reads to reference sequences.
+
+It is used with nf-core/taxprofiler to allow removal of 'host' (e.g. human) or other possible contaminant reads from the FASTQ files prior to taxonomic classification/profiling.
+
 <details markdown="1">
 <summary>Output files</summary>
 
@@ -182,6 +190,8 @@ Note that the FASTQ file(s) may _not_ always be the 'final' reads that go into t
 
 ### Samtools stats
 
+[Samtools stats](http://www.htslib.org/doc/samtools-stats.html) collects statistics from an alignment file and outputs in a text format.
+
 <details markdown="1">
 <summary>Output files</summary>
 
@@ -254,6 +264,8 @@ You will only receive the FASTQs and `*classifiedreads.txt` file if you supply `
 
 ### Centrifuge
 
+[Centrifuge](https://github.com/DaehwanKimLab/centrifuge) is a taxonomic sequence classifier that uses a Burrows-Wheeler transform and Ferragina-Manzina index for storing and mapping sequences.
+
 <details markdown="1">
 <summary>Output files</summary>
 
@@ -279,6 +291,8 @@ You will only receive the FASTQs and `*classifiedreads.txt` file if you supply `
 
 ### DIAMOND
 
+[DIAMOND](https://github.com/bbuchfink/diamond) is a sequence aligner for translated DNA searches or protein sequences against a protein reference database such as NR. It is a replacement for the NCBI BLAST software tools.It has many key features and it is used as taxonomic classifier in nf-core/taxprofiler.
+
 <details markdown="1">
 <summary>Output files</summary>
 
@@ -328,6 +342,8 @@ You will only recieve the `.sam` and `.megan` files if you supply `--malt_save_r
 The main taxonomic profiling file from MetaPhlAn3 is the `*_profile.txt` file. This provides the abundance estimates from MetaPhlAn3 however does not include raw counts by default.
 ### mOTUs
 
+[mOTUS](https://github.com/motu-tool/mOTUs) maps reads to a unique marker specific database and estimates the relative abundance of known and unknown species.
+
 <details markdown="1">
 <summary>Output files</summary>
 
diff --git a/docs/usage.md b/docs/usage.md
index 9539a5a..0edd065 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -631,7 +631,6 @@ krakenuniq-build --db <DB_DIR_NAME> --kmer-len 31
 
 Please see the [KrakenUniq documentation](https://github.com/fbreitwieser/krakenuniq#database-building) for more information.
 
-````
 
 #### MALT custom database
 

From 4dcf8c0b022b8cd82e571c1181ff8808d6383f5b Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <sofia.stamouli@scilifelab.se>
Date: Tue, 17 Jan 2023 15:50:10 +0100
Subject: [PATCH 602/789] Prettier

---
 docs/output.md | 23 +++++++++++------------
 docs/usage.md  |  3 +--
 2 files changed, 12 insertions(+), 14 deletions(-)

diff --git a/docs/output.md b/docs/output.md
index 3257860..17d37b5 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -29,7 +29,7 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d
 - [Centrifuge](#centrifuge) - Taxonomic classifier that uses a novel indexing scheme based on the Burrows-Wheeler transform (BWT) and the Ferragina-Manzini (FM) index.
 - [Kaiju](#kaiju) - Taxonomic classifier that finds maximum (in-)exact matches on the protein-level.
 - [Diamond](#diamond) - Sequence aligner for protein and translated DNA searches.
-- [MALT](#malt)  - Sequence alignment and analysis tool designed for processing high-throughput sequencing data, especially in the context of metagenomics
+- [MALT](#malt) - Sequence alignment and analysis tool designed for processing high-throughput sequencing data, especially in the context of metagenomics
 - [MetaPhlAn3](#metaphlan3) - Genome-level marker gene based taxonomic classifier
 - [mOTUs](#motus) - Tool for marker gene-based OTU (mOTU) profiling.
 - [MultiQC](#multiqc) - Aggregate report describing results and QC from the whole pipeline
@@ -80,10 +80,10 @@ It is used in nf-core/taxprofiler for adapter trimming of short-reads.
 
 - `adapterremoval/`
   - `<sample_id>.settings`: AdapterRemoval log file containing general adapter removal, read trimming and merging statistics
-  - `<sample_id>.collapsed.fastq.gz` - read-pairs that merged and did not undergo trimming (only when  `--shortread_qc_mergepairs` supplied)
-  - `<sample_id>.collapsed.truncated.fastq.gz`  - read-pairs that merged underwent quality trimming  (only when  `--shortread_qc_mergepairs` supplied)
-  - `<sample_id>.pair1.truncated.fastq.gz`  - read 1 of pairs that underwent quality trimming
-  - `<sample_id>.pair2.truncated.fastq.gz`  - read 2 of pairs that underwent quality trimming  (and could not merge if  `--shortread_qc_mergepairs` supplied)
+  - `<sample_id>.collapsed.fastq.gz` - read-pairs that merged and did not undergo trimming (only when `--shortread_qc_mergepairs` supplied)
+  - `<sample_id>.collapsed.truncated.fastq.gz` - read-pairs that merged underwent quality trimming (only when `--shortread_qc_mergepairs` supplied)
+  - `<sample_id>.pair1.truncated.fastq.gz` - read 1 of pairs that underwent quality trimming
+  - `<sample_id>.pair2.truncated.fastq.gz` - read 2 of pairs that underwent quality trimming (and could not merge if `--shortread_qc_mergepairs` supplied)
   - `<sample_id>.singleton.truncated.fastq.gz` - orphaned read pairs where one of the pair was discarded
   - `<sample_id>.discard.fastq.gz` - reads that were discarded due to length or quality filtering
 
@@ -133,7 +133,7 @@ It is used in nf-core/taxprofiler for complexity filtering using different algor
 
 - `prinseqplusplus/`
   - `<sample_id>.log`: log file containing number of reads. Row IDs correspond to: `min_len, max_len, min_gc, max_gc, min_qual_score, min_qual_mean, ns_max_n, noiupac, derep, lc_entropy, lc_dust, trim_tail_left, trim_tail_right, trim_qual_left, trim_qual_right, trim_left, trim_right`
-  - `<sample_id>_good_out.fastq.gz`:  resulting FASTQ file without low-complexity reads
+  - `<sample_id>_good_out.fastq.gz`: resulting FASTQ file without low-complexity reads
 
 </details>
 
@@ -170,7 +170,7 @@ It is used with nf-core/taxprofiler to allow removal of 'host' (e.g. human) or o
 
 </details>
 
-By default nf-core/taxprofiler will only provide the `.log` file if host removal is turned on. You will only see the mapped (host) reads BAM file or the off-target reads in FASTQ format in your results directory if you provide `--save_hostremoval_mapped`  and ` --save_hostremoval_unmapped` respectively.
+By default nf-core/taxprofiler will only provide the `.log` file if host removal is turned on. You will only see the mapped (host) reads BAM file or the off-target reads in FASTQ format in your results directory if you provide `--save_hostremoval_mapped` and ` --save_hostremoval_unmapped` respectively.
 
 Note that the FASTQ file(s) may _not_ always be the 'final' reads that go into taxprofiling, if you also run other steps such as host removal, run merging etc..
 
@@ -235,7 +235,7 @@ The main taxonomic profiling file from Bracken is the `*.tsv` file. This provide
 
 </details>
 
-The main taxonomic profiling file from Kraken2 is the `_combined_reports.txt` or `*report.txt` file. The former provides you the broadest over view of the taxonomic profiling results across all samples against a single databse, where you get two columns for each sample e.g. `2_all` and `2_lvl`, as well as a summarised column summing up across all samples `tot_all` and `tot_lvl`. The latter gives you the most information for a single sample.  The report file is also used for the taxpasta step.
+The main taxonomic profiling file from Kraken2 is the `_combined_reports.txt` or `*report.txt` file. The former provides you the broadest over view of the taxonomic profiling results across all samples against a single databse, where you get two columns for each sample e.g. `2_all` and `2_lvl`, as well as a summarised column summing up across all samples `tot_all` and `tot_lvl`. The latter gives you the most information for a single sample. The report file is also used for the taxpasta step.
 
 You will only recieve the FASTQs and `*classifiedreads.txt` file if you supply `--kraken2_save_reads` and/or `--kraken2_save_readclassification` parameters to the pipeline.
 
@@ -261,7 +261,6 @@ The main taxonomic profiling file from KrakenUniq is the `*report.txt` file. Thi
 
 You will only receive the FASTQs and `*classifiedreads.txt` file if you supply `--krakenuniq_save_reads` and/or `--krakenuniq_save_readclassification` parameters to the pipeline.
 
-
 ### Centrifuge
 
 [Centrifuge](https://github.com/DaehwanKimLab/centrifuge) is a taxonomic sequence classifier that uses a Burrows-Wheeler transform and Ferragina-Manzina index for storing and mapping sequences.
@@ -312,7 +311,7 @@ You will only receive the FASTQs and `*classifiedreads.txt` file if you supply `
 - `malt/`
   - `<db_name>/`
   - `<sample_id>.blastn.sam`: sparse SAM file containing alignments of each hit
-  - `<sample_id>.megan`:  summary file that can be loaded into the [MEGAN6](https://uni-tuebingen.de/fakultaeten/mathematisch-naturwissenschaftliche-fakultaet/fachbereiche/informatik/lehrstuehle/algorithms-in-bioinformatics/software/megan6/) interactive viewer. Generated by MEGAN6 companion tool `rma2info`
+  - `<sample_id>.megan`: summary file that can be loaded into the [MEGAN6](https://uni-tuebingen.de/fakultaeten/mathematisch-naturwissenschaftliche-fakultaet/fachbereiche/informatik/lehrstuehle/algorithms-in-bioinformatics/software/megan6/) interactive viewer. Generated by MEGAN6 companion tool `rma2info`
   - `<sample_id>.rma6`: binary file containing all alignments and taxonomic information of hits that can be loaded into the [MEGAN6](https://uni-tuebingen.de/fakultaeten/mathematisch-naturwissenschaftliche-fakultaet/fachbereiche/informatik/lehrstuehle/algorithms-in-bioinformatics/software/megan6/) interactive viewer
   - `<sample_id>.txt.gz`: text file containing taxonomic IDs and read counts against each taxon. Generated by MEGAN6 companion tool `rma2info`
 
@@ -322,7 +321,6 @@ The main output of MALT is the `.rma6` file format, which can be only loaded int
 
 You will only recieve the `.sam` and `.megan` files if you supply `--malt_save_reads` and/or `--malt_generate_megansummary` parameters to the pipeline.
 
-
 ### MetaPhlAn3
 
 [MetaPhlAn3](https://github.com/biobakery/metaphlan) is a computational tool for profiling the composition of microbial communities (Bacteria, Archaea and Eukaryotes) from metagenomic shotgun sequencing data (i.e. not 16S) with species-level resolution via marker genes.
@@ -334,12 +332,13 @@ You will only recieve the `.sam` and `.megan` files if you supply `--malt_save_r
   - `metaphlan3_<db_name>_combined_reports.txt`: A combined profile of all samples aligned to a given database (as generated by `metaphlan_merge_tables`)
   - `<db_name>/`
     - `<sample_id>.biom`: taxonomic profile in BIOM format
-    - `<sample_id>.bowtie2out.txt`:  BowTie2 alignment information (can be re-used for skipping alignment when re-running MetaPhlAn3 with different parameters)
+    - `<sample_id>.bowtie2out.txt`: BowTie2 alignment information (can be re-used for skipping alignment when re-running MetaPhlAn3 with different parameters)
     - `<sample_id>_profile.txt`: MetaPhlAn3 taxonomic profile including abundance estimates
 
 </details>
 
 The main taxonomic profiling file from MetaPhlAn3 is the `*_profile.txt` file. This provides the abundance estimates from MetaPhlAn3 however does not include raw counts by default.
+
 ### mOTUs
 
 [mOTUS](https://github.com/motu-tool/mOTUs) maps reads to a unique marker specific database and estimates the relative abundance of known and unknown species.
diff --git a/docs/usage.md b/docs/usage.md
index 0edd065..ccf2d85 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -631,7 +631,6 @@ krakenuniq-build --db <DB_DIR_NAME> --kmer-len 31
 
 Please see the [KrakenUniq documentation](https://github.com/fbreitwieser/krakenuniq#database-building) for more information.
 
-
 #### MALT custom database
 
 MALT does not provide any default databases for profiling, therefore you must build your own.
@@ -640,7 +639,7 @@ In addition to the input directory, output directory, and the mapping file datab
 
 ```bash
 malt-build -i <path>/<to>/<fasta>/*.{fna,fa,fasta} -a2t <path>/<to>/<map>.db -d <YOUR_DB_NAME>/  -s DNA
-````
+```
 
 You can then add the <YOUR_DB_NAME>/ path to your nf-core/taxprofiler database input sheet.
 

From 6d380fbbff4751365efcc075708bd4f95adebc4f Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Thu, 19 Jan 2023 08:49:55 +0100
Subject: [PATCH 603/789] Apply suggestions from code review

Co-authored-by: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
---
 docs/usage.md | 22 +++++++++++-----------
 1 file changed, 11 insertions(+), 11 deletions(-)

diff --git a/docs/usage.md b/docs/usage.md
index 55ed43c..b1adfa6 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -6,16 +6,16 @@
 
 ## Introduction
 
-nf-core/taxprofiler is a pipeline for highly-parallelised taxonomic profiling of shotgun metagenomic data across multiple tools simultaneously. In addition to multiple profiling tools, at the same time it allows you to performing profiling across multiple databases and settings per tool, as well as produces standardised output tables to allow immediate cross comparison of results between tools.
+nf-core/taxprofiler is a pipeline for highly-parallelised taxonomic classification and profiling of shotgun metagenomic data across multiple tools simultaneously. In addition to multiple classification and profiling tools, at the same time it allows you to performing taxonomic classification and profiling across multiple databases and settings per tool, as well as produces standardised output tables to allow immediate cross comparison of results between tools.
 
 To run nf-core/taxprofiler, at a minimum two you require two inputs:
 
-- an sequenceing read samplesheet
+- a sequencing read samplesheet
 - a database samplesheet
 
-Both contain metadata and paths to the data of your input samples and database.
+Both contain metadata and paths to the data of your input samples and databases.
 
-When running nf-core/taxprofiler, every step and tool is 'opt in'. To run a given profiler you must make sure to supply both a database in your `<database>.csv` and supply `--run_<profiler>` flag to your command. Omitting either will result in the profiling tool not executing.
+When running nf-core/taxprofiler, every step and tool is 'opt in'. To run a given classifier or profiler you must make sure to supply both a database in your `<database>.csv` and supply `--run_<profiler>` flag to your command. Omitting either will result in the profiling tool not executing.
 
 nf-core/profiler also includes optional pre-processing (adapter clipping, merge running etc.) or post-processing (visualisation) steps. These are also opt in with a `--perform_<step>` flag. In some cases, the pre- and post-processing steps may also require additional files. Please check the parameters tab of this documentation for more information.
 
@@ -160,7 +160,7 @@ nf-core/taxprofiler offers four main preprocessing steps for preprocessing raw s
 
 Raw sequencing read processing in the form of adapter clipping and paired-end read merging can be activated via the `--perform_shortread_qc` or `--perform_longread_qc` flags.
 
-It is highly recommended to run this on raw reads to remove artifacts from sequencing that can cause false positive identification of taxa (e.g. contaminated reference genomes) and/or skews in taxonomic abundance profiles. If you have public data, normally these should have been corrected for, however you should still check these steps have indeed been already performed.
+It is highly recommended to run this on raw reads to remove artifacts from sequencing that can cause false positive identification of taxa (e.g. contaminated reference genomes) and/or skews in taxonomic abundance profiles. If you have public data, normally these should have been corrected for, however you should still check that these steps have indeed been already performed.
 
 There are currently two options for short-read preprocessing: [`fastp`](https://github.com/OpenGene/fastp) or [`adapterremoval`](https://github.com/MikkelSchubert/adapterremoval).
 
@@ -213,7 +213,7 @@ You can optionally save the FASTQ output of the run merging with the `--save_run
 
 #### Profiling
 
-The following sections provides tips and suggestions for running the different metagenomic taxonomic profiling tools _within the pipeline_. For advice and/or guidance whether you should run a particular tool on your specific data, please see the documentation of each tool!
+The following sections provide tips and suggestions for running the different taxonomic classification and profiling tools _within the pipeline_. For advice and/or guidance whether you should run a particular tool on your specific data, please see the documentation of each tool!
 
 Not all tools currently have dedicated tips, suggestions and/or recommendations, however we welcome further contributions for existing and additional tools via pull requests to the [nf-core/taxprofiler repository](https://github.com/nf-core/taxprofiler)!
 
@@ -267,7 +267,7 @@ mOTUs currently does not accept FASTA files as input, therefore no output will b
 
 ##### Visualisation
 
-nf-core/taxprofiler supports generation of Krona interactive piechart plots for the following compatible tools.
+nf-core/taxprofiler supports generation of Krona interactive pie chart plots for the following compatible tools.
 
 - Kraken2
 - Centrifuge
@@ -280,7 +280,7 @@ nf-core/taxprofiler supports generation of Krona interactive piechart plots for
 
 In addition to per-sample profiles, the pipeline also supports generation of 'native' multi-sample taxonomic profiles (i.e., those generated by the taxonomic profiling tools themselves or additional utility scripts provided by the tool authors).
 
-This are executed on a per-database level. I.e., you will get a multi-sample taxon table for each database you provide for each tool and will be placed in the same directory as the directories containing the per-sample profiles.
+These are executed on a per-database level. I.e., you will get a multi-sample taxon table for each database you provide for each tool and will be placed in the same directory as the directories containing the per-sample profiles.
 
 The following tools will produce multi-sample taxon tables:
 
@@ -503,7 +503,7 @@ The following tutorials assumes you already have the tool available (e.g. instal
 
 #### Bracken custom database
 
-Bracken does not require an indepndent database construction, but rather builds upon Kraken2 databases. See [Kraken2](#kraken2-custom-database) for more information on how to build these.
+Bracken does not require an independent database construction, but rather builds upon Kraken2 databases. See [Kraken2](#kraken2-custom-database) for more information on how to build these.
 
 In addition to a Kraken2 database, you also need to have the (average) read lengths (in bp) of your sequencing experiment, the K-mer size used to build the Kraken2 database, and Kraken2 available on your machine.
 
@@ -536,7 +536,7 @@ You can follow Bracken [tutorial](https://ccb.jhu.edu/software/bracken/index.sht
 
 To build a custom Centrifuge database, a user needs to download taxonomy files, make a custom `seqid2taxid.map` and combine the fasta files together.
 
-In total You need four components: a tab-separated file mapping sequence IDs to taxonomy IDs (`--conversion-table`), a tab-separated file mapping taxonomy IDs to their parents and rank, up to the root of the tree (`--taxonomy-tree`), a pipe-separated file mapping taxonomy IDs to a name (`--name-table`), and the reference sequences.
+In total, you need four components: a tab-separated file mapping sequence IDs to taxonomy IDs (`--conversion-table`), a tab-separated file mapping taxonomy IDs to their parents and rank, up to the root of the tree (`--taxonomy-tree`), a pipe-separated file mapping taxonomy IDs to a name (`--name-table`), and the reference sequences.
 
 An example of custom `seqid2taxid.map`:
 
@@ -596,7 +596,7 @@ A detailed description can be found [here](https://github.com/bbuchfink/diamond/
 
 #### Kaiju custom database
 
-To build a kaiju database, you need three components: a FASTA file with the protein sequences (the headers are the numeric NCBI taxon identifiers of the protein sequences), and you need to define the uppercase characters of the standard 20 amino acids you wish to include.
+To build a kaiju database, you need two components: a FASTA file with the protein sequences (the headers are the numeric NCBI taxon identifiers of the protein sequences), and you need to define the uppercase characters of the standard 20 amino acids you wish to include.
 
 ```bash
 kaiju-mkbwt -a ACDEFGHIKLMNPQRSTVWY -o proteins proteins.faa

From 6e4369526439c682d651814389bed52d65b6dae3 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Thu, 19 Jan 2023 08:55:23 +0100
Subject: [PATCH 604/789] Apply suggestions from code review

Co-authored-by: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
---
 docs/usage.md | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/docs/usage.md b/docs/usage.md
index 51ce004..64f5cdb 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -66,7 +66,7 @@ An [example samplesheet](../assets/samplesheet.csv) has been provided with the p
 
 nf-core/taxprofiler supports multiple databases being classified/profiled against in parallel for each tool.
 Databases can be supplied either in the form of a compressed `.tar.gz` archive of a directory containing all relevant database files or the path to a directory on the filesystem.
-The pipeline takes the locations and specific classification/profiling parameters of the tool of these databases as input via a four column comma-separated sheet.
+The pipeline takes the paths and specific classification/profiling parameters of the tool of these databases as input via a four column comma-separated sheet.
 
 > ⚠️ nf-core/taxprofiler does not provide any databases by default, nor does it currently generate them for you. This must be performed manually by the user. See below for more information of the expected database files.
 
@@ -155,7 +155,7 @@ There are currently two options for short-read preprocessing: [`fastp`](https://
 For adapter clipping, you can either rely on the tool's default adapter sequences, or supply your own adapters (`--shortread_qc_adapter1` and `--shortread_qc_adapter2`)
 By default, paired-end merging is not activated. In this case paired-end 'alignment' against the reference databases is performed where supported, and if not, supported pairs will be independently classified/profiled. If paired-end merging is activated you can also specify whether to include unmerged reads in the reads sent for classification/profiling (`--shortread_qc_mergepairs` and `--shortread_qc_includeunmerged`).
 You can also turn off clipping and only perform paired-end merging, if requested. This can be useful when processing data downloaded from the ENA, SRA, or DDBJ (`--shortread_qc_skipadaptertrim`).
-Both tools support length filtering of reads and can be tuned with `--shortread_qc_minlength`. Performing length filtering can be useful to remove short (often low sequencing complexity) sequences that result in unspecific classification and therefore slow down runtime during classificationprofiling, with minimal gain.
+Both tools support length filtering of reads and can be tuned with `--shortread_qc_minlength`. Performing length filtering can be useful to remove short (often low sequencing complexity) sequences that result in unspecific classification and therefore slow down runtime during classification/profiling, with minimal gain.
 
 There is currently one option for long-read Oxford Nanopore processing: [`porechop`](https://github.com/rrwick/Porechop).
 
@@ -183,7 +183,7 @@ Removal of possible-host reads from FASTQ files prior classification/profiling c
 
 Similarly to complexity filtering, host-removal can be useful for runtime optimisation and reduction in misclassified reads. It is not always necessary to report classification of reads from a host when you already know the host of the sample, therefore you can gain a run-time and computational advantage by removing these prior typically resource-heavy classification/profiling with more efficient methods. Furthermore, particularly with human samples, you can reduce the number of false positives during classification/profiling that occur due to host-sequence contamination in reference genomes on public databases.
 
-nf-core/taxprofiler currently offers host-removal via alignment against a reference genome with Bowtie2, and the use of the unaligned reads for downstream classification/profiling.
+nf-core/taxprofiler currently offers host-removal via alignment against a reference genome with Bowtie2 for short reads and minimap2 for long reads, and the use of the unaligned reads for downstream classification/profiling.
 
 You can supply your reference genome in FASTA format with `--hostremoval_reference`. You can also optionally supply a directory containing pre-indexed Bowtie2 index files with `--shortread_hostremoval_index` or a minimap2 `.mmi` file for `--longread_hostremoval_index`, however nf-core/taxprofiler will generate these for you if necessary. Pre-supplying the index directory or files can greatly speed up the process, and these can be re-used.
 
@@ -201,7 +201,7 @@ You can optionally save the FASTQ output of the run merging with the `--save_run
 
 #### Classification and Profiling
 
-The following suggestion gives you some tips and suggestions regarding running some of the different tools specifically _within the pipeline_.
+The following sections gives you some tips and suggestions regarding running some of the different tools specifically _within the pipeline_.
 
 An important distinction between the different tools in included in the pipeline is classification versus profiling. Taxonomic _classification_ is concerned with simply detecting the presence of species in a given sample. Taxonomic _profiling_ involves additionally estimating the _abundance_ of each species.
 

From 7d4035d4c747d5ab109b27e1a673861727ad04eb Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Thu, 19 Jan 2023 13:44:10 +0100
Subject: [PATCH 605/789] Add new line in the description of custom file

---
 docs/usage.md | 11 ++++++-----
 1 file changed, 6 insertions(+), 5 deletions(-)

diff --git a/docs/usage.md b/docs/usage.md
index ccf2d85..4482778 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -470,11 +470,12 @@ You can follow Bracken [tutorial](https://ccb.jhu.edu/software/bracken/index.sht
 Centrifuge allows the user to [build custom databases](https://ccb.jhu.edu/software/centrifuge/manual.shtml#custom-database). The user should download taxonomy files, make custom `seqid2taxid.map` and combine the fasta files together. You need four components: a tab-separated file mapping sequence IDs to taxonomy IDs (`--conversion-table`), a \t|\t-separated file mapping taxonomy IDs to their parents and rank, up to the root of the tree (`--taxonomy-tree`), a '|'-separated file mapping taxonomy IDs to a name (`--name-table`) and the reference sequences.
 
 An example of custom `seqid2taxid.map`:
-
-NC_001133.9 4392
-NC_012920.1 9606
-NC_001134.8 4392
-NC_001135.5 4392
+```
+ NC_001133.9 4392  
+ NC_012920.1 9606  
+ NC_001134.8 4392  
+ NC_001135.5 4392
+ ```
 
 ```bash
 centrifuge-download -o taxonomy taxonomy

From 2d646285524cd17b203a69680a198bfbf79b227f Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 20 Jan 2023 13:33:43 +0100
Subject: [PATCH 606/789] Fix left-over warns from loca modules

---
 modules/local/ensure_fastq_extension.nf  | 2 +-
 modules/local/kraken2_standard_report.nf | 2 +-
 modules/local/krona_cleanup.nf           | 2 +-
 3 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/modules/local/ensure_fastq_extension.nf b/modules/local/ensure_fastq_extension.nf
index 6de223b..034c9bb 100644
--- a/modules/local/ensure_fastq_extension.nf
+++ b/modules/local/ensure_fastq_extension.nf
@@ -2,7 +2,7 @@ process ENSURE_FASTQ_EXTENSION {
     tag "$meta.id"
     label 'process_low'
 
-    conda (params.enable_conda ? "conda-forge::bash=5.0" : null)
+    conda "conda-forge::bash=5.0
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://containers.biocontainers.pro/s3/SingImgsRepo/biocontainers/v1.2.0_cv2/biocontainers_v1.2.0_cv2.img' :
         'biocontainers/biocontainers:v1.2.0_cv2' }"
diff --git a/modules/local/kraken2_standard_report.nf b/modules/local/kraken2_standard_report.nf
index 09a98c1..4169c3a 100644
--- a/modules/local/kraken2_standard_report.nf
+++ b/modules/local/kraken2_standard_report.nf
@@ -2,7 +2,7 @@ process KRAKEN2_STANDARD_REPORT {
     tag "$meta.id"
     label 'process_single'
 
-    conda (params.enable_conda ? 'conda-forge::sed=4.8' : null)
+    conda "conda-forge::sed=4.8"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://containers.biocontainers.pro/s3/SingImgsRepo/biocontainers/v1.2.0_cv2/biocontainers_v1.2.0_cv2.img' :
         'biocontainers/biocontainers:v1.2.0_cv2' }"
diff --git a/modules/local/krona_cleanup.nf b/modules/local/krona_cleanup.nf
index 804cb69..f13dcc8 100644
--- a/modules/local/krona_cleanup.nf
+++ b/modules/local/krona_cleanup.nf
@@ -2,7 +2,7 @@ process KRONA_CLEANUP {
     tag "$meta.id"
     label 'process_low'
 
-    conda (params.enable_conda ? "conda-forge::sed=4.7" : null)
+    conda "conda-forge::sed=4.7"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
         'https://containers.biocontainers.pro/s3/SingImgsRepo/biocontainers/v1.2.0_cv1/biocontainers_v1.2.0_cv1.img' :
         'biocontainers/biocontainers:v1.2.0_cv1' }"

From cac6f54d2d67b64e23e591813678f052afe20406 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 20 Jan 2023 13:36:17 +0100
Subject: [PATCH 607/789] [extra] Fix warn related to recently changed
 parameter

---
 workflows/taxprofiler.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index d1693be..7a09573 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -29,7 +29,7 @@ if ( params.input ) {
 
 if (params.databases) { ch_databases = file(params.databases, checkIfExists: true) } else { exit 1, 'Input database sheet not specified!' }
 
-if (params.shortread_qc_mergepairs && params.run_malt ) log.warn "[nf-core/taxprofiler] MALT does not accept uncollapsed paired-reads. Pairs will be profiled as separate files."
+if (!params.shortread_qc_mergepairs && params.run_malt ) log.warn "[nf-core/taxprofiler] MALT does not accept uncollapsed paired-reads. Pairs will be profiled as separate files."
 if (params.shortread_qc_includeunmerged && !params.shortread_qc_mergepairs) exit 1, "ERROR: [nf-core/taxprofiler] cannot include unmerged reads when merging is not turned on. Please specify --shortread_qc_mergepairs"
 
 if (params.shortread_complexityfilter_tool == 'fastp' && ( params.perform_shortread_qc == false || params.shortread_qc_tool != 'fastp' ))  exit 1, "ERROR: [nf-core/taxprofiler] cannot use fastp complexity filtering if preprocessing not turned on and/or tool is not fastp. Please specify --perform_shortread_qc and/or --shortread_qc_tool 'fastp'"

From 606ffc0eb1a7385c2aaea4b4d3ebc5dbe721614c Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 20 Jan 2023 13:40:59 +0100
Subject: [PATCH 608/789] Remove platform specificity for MALT

---
 subworkflows/local/profiling.nf | 1 -
 1 file changed, 1 deletion(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 6613648..4b4952c 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -67,7 +67,6 @@ workflow PROFILING {
         // MALT: We groupTuple to have all samples in one channel for MALT as database
         // loading takes a long time, so we only want to run it once per database
         ch_input_for_malt =  ch_input_for_profiling.malt
-                                .filter { it[0]['instrument_platform'] == 'ILLUMINA' }
                                 .map {
                                     meta, reads, db_meta, db ->
 

From 1c820f21b33cde3d657978570d37d043a00337f7 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 20 Jan 2023 17:53:55 +0100
Subject: [PATCH 609/789] Dont fail on divide by 0 errors on centrifuge

---
 conf/modules.config | 1 +
 1 file changed, 1 insertion(+)

diff --git a/conf/modules.config b/conf/modules.config
index 28ede9d..ccf63e5 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -471,6 +471,7 @@ process {
     }
 
     withName: KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE {
+        errorStrategy = { task.exitStatus in [255,1] ? 'ignore' : 'retry' }
         ext.prefix = { "centrifuge_${meta.id}_combined_reports" }
         publishDir = [
             path: { "${params.outdir}/centrifuge/" },

From d56e3133f9b716030971741653b038118baadaca Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Tue, 24 Jan 2023 10:45:01 +0100
Subject: [PATCH 610/789] Allow databases of all tools to arrive as tar.gz

---
 subworkflows/local/db_check.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/db_check.nf b/subworkflows/local/db_check.nf
index a89b519..203ee4e 100644
--- a/subworkflows/local/db_check.nf
+++ b/subworkflows/local/db_check.nf
@@ -41,7 +41,7 @@ workflow DB_CHECK {
 
     //Filter the channel to run untar on DBs of tools actually using
     ch_input_untar = ch_dbs_for_untar.untar.dump()
-                    .filter {  params.run_kraken2 && it[0]['tool'] == 'kraken2' || params.run_centrifuge && it[0]['tool'] == 'centrifuge' || params.run_bracken && it[0]['tool'] == 'bracken' || params.run_kaiju && it[0]['tool'] == 'kaiju' || params.run_krakenuniq && it [0]['tool'] == 'krakenuniq' || params.run_malt && it[0]['tool'] == 'malt' || params.run_metaphlan3 && it[0]['tool'] == 'metaphlan3' }
+                    .filter { params.run_bracken && it[0]['tool'] == 'bracken' || params.run_centrifuge && it[0]['tool'] == 'centrifuge' || || params.run_diamond && it[0]['tool'] == 'diamond' || params.run_kaiju && it[0]['tool'] == 'kaiju' || params.run_kraken2 && it[0]['tool'] == 'kraken2' || params.run_krakenuniq && it [0]['tool'] == 'krakenuniq' || params.run_malt && it[0]['tool'] == 'malt' || params.run_metaphlan3 && it[0]['tool'] == 'metaphlan3' || params.run_motus && it[0]['tool'] == 'motus' }
     UNTAR (ch_input_untar)
     ch_versions = ch_versions.mix(UNTAR.out.versions.first())
     ch_final_dbs = ch_dbs_for_untar.skip.mix( UNTAR.out.untar )

From 1a148c5d4985d89c3a2449e6a01680b9160e5487 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 24 Jan 2023 10:48:23 +0100
Subject: [PATCH 611/789] Remove double If and format for readability

---
 subworkflows/local/db_check.nf | 12 +++++++++++-
 1 file changed, 11 insertions(+), 1 deletion(-)

diff --git a/subworkflows/local/db_check.nf b/subworkflows/local/db_check.nf
index 203ee4e..f5cdf2c 100644
--- a/subworkflows/local/db_check.nf
+++ b/subworkflows/local/db_check.nf
@@ -41,7 +41,17 @@ workflow DB_CHECK {
 
     //Filter the channel to run untar on DBs of tools actually using
     ch_input_untar = ch_dbs_for_untar.untar.dump()
-                    .filter { params.run_bracken && it[0]['tool'] == 'bracken' || params.run_centrifuge && it[0]['tool'] == 'centrifuge' || || params.run_diamond && it[0]['tool'] == 'diamond' || params.run_kaiju && it[0]['tool'] == 'kaiju' || params.run_kraken2 && it[0]['tool'] == 'kraken2' || params.run_krakenuniq && it [0]['tool'] == 'krakenuniq' || params.run_malt && it[0]['tool'] == 'malt' || params.run_metaphlan3 && it[0]['tool'] == 'metaphlan3' || params.run_motus && it[0]['tool'] == 'motus' }
+                    .filter {
+                        params.run_bracken && it[0]['tool'] == 'bracken' ||
+                        params.run_centrifuge && it[0]['tool'] == 'centrifuge' ||
+                        params.run_diamond && it[0]['tool'] == 'diamond' ||
+                        params.run_kaiju && it[0]['tool'] == 'kaiju' ||
+                        params.run_kraken2 && it[0]['tool'] == 'kraken2' ||
+                        params.run_krakenuniq && it [0]['tool'] == 'krakenuniq' ||
+                        params.run_malt && it[0]['tool'] == 'malt' ||
+                        params.run_metaphlan3 && it[0]['tool'] == 'metaphlan3' ||
+                        params.run_motus && it[0]['tool'] == 'motus'
+                        }
     UNTAR (ch_input_untar)
     ch_versions = ch_versions.mix(UNTAR.out.versions.first())
     ch_final_dbs = ch_dbs_for_untar.skip.mix( UNTAR.out.untar )

From 2439aa69d0195ca9a72893c8e4b0dc1a3112d243 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 24 Jan 2023 10:58:03 +0100
Subject: [PATCH 612/789] Use specific samplesheet for MALT without LR reads
 due to GHA memory limits

---
 .github/workflows/ci.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index a26c28b..ea98e78 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -169,5 +169,5 @@ jobs:
       - name: Run pipeline with test data
         uses: Wandalen/wretry.action@v1.0.11
         with:
-          command: nextflow run ${GITHUB_WORKSPACE} -profile test_nothing,docker --run_malt --outdir ./results
+          command: nextflow run ${GITHUB_WORKSPACE} -profile test_nothing,docker --run_malt --input 'https://github.com/nf-core/test-datasets/raw/taxprofiler/samplesheet_shortreadsonly.csv' --outdir ./results
           attempt_limit: 3

From 085d9e519cb91ace783ca33fb1e6ed47a0bff9c9 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 24 Jan 2023 11:39:37 +0100
Subject: [PATCH 613/789] [skip ci] add comment about recommendation to split
 SR/LR

---
 docs/usage.md | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/docs/usage.md b/docs/usage.md
index 3a4e55c..158cfab 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -64,6 +64,8 @@ ERR3201952,ERR3201952,OXFORD_NANOPORE,/<path>/<to>/fastq/ERR3201952.fastq.gz,,
 
 > ⚠️ Input FASTQ and FASTA files _must_ be gzipped
 
+> ⚠️ While one can include both short-read and long-read data in one run, we recommend that you split these across _two_ pipeline runs and database sheets (see below). This will allow classification optmisation for each data type, and make MultiQC run-reports more readable (due to run statististics having vary large number differences).
+
 | Column                | Description                                                                                                                                                                                              |
 | --------------------- | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
 | `sample`              | Unique sample name [required].                                                                                                                                                                           |

From 920583127347356b25b5a8a3b14db31100687100 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 24 Jan 2023 11:50:10 +0100
Subject: [PATCH 614/789] Start adding filter for long read and MP3

---
 subworkflows/local/profiling.nf | 7 +++++--
 1 file changed, 5 insertions(+), 2 deletions(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 6613648..38936eb 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -202,8 +202,11 @@ workflow PROFILING {
 
         ch_input_for_metaphlan3 = ch_input_for_profiling.metaphlan3
                             .filter{
-                                if (it[0].is_fasta) log.warn "[nf-core/taxprofiler] MetaPhlAn3 currently does not accept FASTA files as input. Skipping MetaPhlAn3 for sample ${it[0].id}."
-                                !it[0].is_fasta
+                                meta, report ->
+                                    if (meta.is_fasta) log.warn "[nf-core/taxprofiler] MetaPhlAn3 currently does not accept FASTA files as input. Skipping MetaPhlAn3 for sample ${meta.id}."
+                                    !meta.is_fasta
+                                    if ( meta['instrument_platform'] == 'OXFORD_NANOPORE' ) log.warn "[nf-core/taxprofiler] MetaPhlAn3 has not been evaluated for Nanopore data. Skipping MetaPhlAn3 for sample ${meta.id}."
+                                    meta['tool'] == 'metaphlan3' && meta['instrument_platform'] != 'OXFORD_NANOPORE'
                             }
                             .multiMap {
                                 it ->

From 9cf2d8763f25ef4d9c9e20e7db425a841e593c4e Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Tue, 24 Jan 2023 11:50:58 +0100
Subject: [PATCH 615/789] [skip ci] Update docs/usage.md

Co-authored-by: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
---
 docs/usage.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/usage.md b/docs/usage.md
index 158cfab..d37ba60 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -64,7 +64,7 @@ ERR3201952,ERR3201952,OXFORD_NANOPORE,/<path>/<to>/fastq/ERR3201952.fastq.gz,,
 
 > ⚠️ Input FASTQ and FASTA files _must_ be gzipped
 
-> ⚠️ While one can include both short-read and long-read data in one run, we recommend that you split these across _two_ pipeline runs and database sheets (see below). This will allow classification optmisation for each data type, and make MultiQC run-reports more readable (due to run statististics having vary large number differences).
+> ⚠️ While one can include both short-read and long-read data in one run, we recommend that you split these across _two_ pipeline runs and database sheets (see below). This will allow classification optimisation for each data type, and make MultiQC run-reports more readable (due to run statistics having vary large number differences).
 
 | Column                | Description                                                                                                                                                                                              |
 | --------------------- | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |

From 6eafcc6499ebefc076fe1363b2047fced3b8a033 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Tue, 24 Jan 2023 12:43:34 +0100
Subject: [PATCH 616/789] Try Moritz's trick, assuming validate_db_rows already
 checks for tool name validity

---
 subworkflows/local/db_check.nf | 14 +++-----------
 1 file changed, 3 insertions(+), 11 deletions(-)

diff --git a/subworkflows/local/db_check.nf b/subworkflows/local/db_check.nf
index f5cdf2c..7490b72 100644
--- a/subworkflows/local/db_check.nf
+++ b/subworkflows/local/db_check.nf
@@ -39,18 +39,10 @@ workflow DB_CHECK {
             skip: true
         }
 
-    //Filter the channel to run untar on DBs of tools actually using
+    // Filter the channel to untar only those databases for tools that are selected to be run by the user.
     ch_input_untar = ch_dbs_for_untar.untar.dump()
-                    .filter {
-                        params.run_bracken && it[0]['tool'] == 'bracken' ||
-                        params.run_centrifuge && it[0]['tool'] == 'centrifuge' ||
-                        params.run_diamond && it[0]['tool'] == 'diamond' ||
-                        params.run_kaiju && it[0]['tool'] == 'kaiju' ||
-                        params.run_kraken2 && it[0]['tool'] == 'kraken2' ||
-                        params.run_krakenuniq && it [0]['tool'] == 'krakenuniq' ||
-                        params.run_malt && it[0]['tool'] == 'malt' ||
-                        params.run_metaphlan3 && it[0]['tool'] == 'metaphlan3' ||
-                        params.run_motus && it[0]['tool'] == 'motus'
+                        .filter {
+                          params["run_${it[0]['tool']}"]
                         }
     UNTAR (ch_input_untar)
     ch_versions = ch_versions.mix(UNTAR.out.versions.first())

From 0358489be0f4098b1f2cee1a9c396f5a37cd08e3 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 24 Jan 2023 13:05:52 +0100
Subject: [PATCH 617/789] Remove metaphlan profiling for nanopore as it appears
 to always result in 100% unclassified

---
 subworkflows/local/profiling.nf | 7 ++-----
 1 file changed, 2 insertions(+), 5 deletions(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 38936eb..f6eddb0 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -202,11 +202,8 @@ workflow PROFILING {
 
         ch_input_for_metaphlan3 = ch_input_for_profiling.metaphlan3
                             .filter{
-                                meta, report ->
-                                    if (meta.is_fasta) log.warn "[nf-core/taxprofiler] MetaPhlAn3 currently does not accept FASTA files as input. Skipping MetaPhlAn3 for sample ${meta.id}."
-                                    !meta.is_fasta
-                                    if ( meta['instrument_platform'] == 'OXFORD_NANOPORE' ) log.warn "[nf-core/taxprofiler] MetaPhlAn3 has not been evaluated for Nanopore data. Skipping MetaPhlAn3 for sample ${meta.id}."
-                                    meta['tool'] == 'metaphlan3' && meta['instrument_platform'] != 'OXFORD_NANOPORE'
+                                if (it[0].is_fasta || it[0].instrument_platform == 'OXFORD_NANOPORE' ) log.warn "[nf-core/taxprofiler] MetaPhlAn3 currently does not accept FASTA files as input and/or has not been evaluated for Nanopore data. Skipping MetaPhlAn3 for sample ${it[0].id}."
+                                !(it[0].is_fasta || it[0].instrument_platform == 'OXFORD_NANOPORE')
                             }
                             .multiMap {
                                 it ->

From 14826d52056b6251f68b50d6bc605f89d8294230 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 24 Jan 2023 13:20:58 +0100
Subject: [PATCH 618/789] Separate conditions, remove some left-over dumps

---
 subworkflows/local/db_check.nf  | 2 +-
 subworkflows/local/profiling.nf | 9 +++++----
 2 files changed, 6 insertions(+), 5 deletions(-)

diff --git a/subworkflows/local/db_check.nf b/subworkflows/local/db_check.nf
index a89b519..96ae7a1 100644
--- a/subworkflows/local/db_check.nf
+++ b/subworkflows/local/db_check.nf
@@ -40,7 +40,7 @@ workflow DB_CHECK {
         }
 
     //Filter the channel to run untar on DBs of tools actually using
-    ch_input_untar = ch_dbs_for_untar.untar.dump()
+    ch_input_untar = ch_dbs_for_untar.untar
                     .filter {  params.run_kraken2 && it[0]['tool'] == 'kraken2' || params.run_centrifuge && it[0]['tool'] == 'centrifuge' || params.run_bracken && it[0]['tool'] == 'bracken' || params.run_kaiju && it[0]['tool'] == 'kaiju' || params.run_krakenuniq && it [0]['tool'] == 'krakenuniq' || params.run_malt && it[0]['tool'] == 'malt' || params.run_metaphlan3 && it[0]['tool'] == 'metaphlan3' }
     UNTAR (ch_input_untar)
     ch_versions = ch_versions.mix(UNTAR.out.versions.first())
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index f6eddb0..accab37 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -202,8 +202,10 @@ workflow PROFILING {
 
         ch_input_for_metaphlan3 = ch_input_for_profiling.metaphlan3
                             .filter{
-                                if (it[0].is_fasta || it[0].instrument_platform == 'OXFORD_NANOPORE' ) log.warn "[nf-core/taxprofiler] MetaPhlAn3 currently does not accept FASTA files as input and/or has not been evaluated for Nanopore data. Skipping MetaPhlAn3 for sample ${it[0].id}."
-                                !(it[0].is_fasta || it[0].instrument_platform == 'OXFORD_NANOPORE')
+                                if (it[0].is_fasta) log.warn "[nf-core/taxprofiler] MetaPhlAn3 currently does not accept FASTA files as input. Skipping MetaPhlAn3 for sample ${it[0].id}."
+                                !it[0].is_fasta
+                                if (it[0].instrument_platform == 'OXFORD_NANOPORE') log.warn "[nf-core/taxprofiler] MetaPhlAn3 has not been evaluated for Nanopore data. Skipping MetaPhlAn3 for sample ${it[0].id}."
+                                !it[0].instrument_platform == 'OXFORD_NANOPORE'
                             }
                             .multiMap {
                                 it ->
@@ -278,14 +280,13 @@ workflow PROFILING {
                                             [[id: db_meta.db_name, single_end: meta.single_end], reads, db_meta, db]
                                     }
                                     .groupTuple(by: [0,2,3])
-                                    .dump(tag: "krakenuniq_premultimap")
                                     .multiMap {
                                         single_meta, reads, db_meta, db ->
                                             reads: [ single_meta + db_meta, reads.flatten() ]
                                             db: db
                                 }
         // Hardcode to _always_ produce the report file (which is our basic otput, and goes into)
-        KRAKENUNIQ_PRELOADEDKRAKENUNIQ ( ch_input_for_krakenuniq.reads.dump(tag: "krakenuniq_input"), ch_input_for_krakenuniq.db.dump(tag: "krakenuniq_db"), params.krakenuniq_ram_chunk_size, params.krakenuniq_save_reads, true, params.krakenuniq_save_readclassifications )
+        KRAKENUNIQ_PRELOADEDKRAKENUNIQ ( ch_input_for_krakenuniq.reads, ch_input_for_krakenuniq.db, params.krakenuniq_ram_chunk_size, params.krakenuniq_save_reads, true, params.krakenuniq_save_readclassifications )
         ch_multiqc_files       = ch_multiqc_files.mix( KRAKENUNIQ_PRELOADEDKRAKENUNIQ.out.report )
         ch_versions            = ch_versions.mix( KRAKENUNIQ_PRELOADEDKRAKENUNIQ.out.versions.first() )
         ch_raw_classifications = ch_raw_classifications.mix( KRAKENUNIQ_PRELOADEDKRAKENUNIQ.out.classified_assignment )

From 40f1e7b27aaa41484e4030340528302c398feeb1 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Tue, 24 Jan 2023 14:15:51 +0100
Subject: [PATCH 619/789] fix: correct pattern to publish minimap2 index

---
 conf/modules.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/conf/modules.config b/conf/modules.config
index 28ede9d..30f057e 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -230,7 +230,7 @@ process {
             path: { "${params.outdir}/minimap2/index" },
             mode: params.publish_dir_mode,
             enabled: params.save_hostremoval_index,
-            pattern: 'minimap2'
+            pattern: '*.mmi'
         ]
     }
 

From e7d7affcd08942766c2828eff8fade98736eea1b Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 24 Jan 2023 14:44:14 +0100
Subject: [PATCH 620/789] Pick up Kraken2 files correctly

---
 conf/modules.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/conf/modules.config b/conf/modules.config
index 28ede9d..8f1291a 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -350,7 +350,7 @@ process {
 
     withName: KRAKEN2_KRAKEN2 {
         ext.args = params.kraken2_save_minimizers ? { "${meta.db_params} --report-minimizer-data" } : { "${meta.db_params}" }
-        ext.prefix = params.perform_runmerging ? { meta.tool == "bracken" ? "${meta.id}_${meta.db_name}.bracken" : "${meta.id}_${meta.db_name}.kraken" } : { meta.tool == "bracken" ? "${meta.id}_${meta.run_accession}_${meta.db_name}.bracken" : "${meta.id}_${meta.run_accession}_${meta.db_name}.kraken" }
+        ext.prefix = params.perform_runmerging ? { meta.tool == "bracken" ? "${meta.id}_${meta.db_name}.bracken" : "${meta.id}_${meta.db_name}.kraken2" } : { meta.tool == "bracken" ? "${meta.id}_${meta.run_accession}_${meta.db_name}.bracken" : "${meta.id}_${meta.run_accession}_${meta.db_name}.kraken2" }
         publishDir = [
             path: { "${params.outdir}/kraken2/${meta.db_name}/" },
             mode: params.publish_dir_mode,

From a9933000993802149c9e550627b851d46b2e2776 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 24 Jan 2023 15:06:42 +0100
Subject: [PATCH 621/789] Tweaks to MultiQC based on full test experiments

---
 assets/multiqc_config.yml                     |  8 ++-----
 conf/modules.config                           |  2 +-
 modules.json                                  |  3 ++-
 modules/nf-core/porechop/porechop/main.nf     |  6 ++++-
 .../porechop/porechop/porechop-porechop.diff  | 23 +++++++++++++++++++
 5 files changed, 33 insertions(+), 9 deletions(-)
 create mode 100644 modules/nf-core/porechop/porechop/porechop-porechop.diff

diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml
index c35adfa..bb0d3cc 100644
--- a/assets/multiqc_config.yml
+++ b/assets/multiqc_config.yml
@@ -268,12 +268,8 @@ table_columns_visible:
     non-primary_alignments: False
     reads_MQ0_percent: False
     error_rate: False
-  Kraken:
-    "% Unclassified": False
-    "% Top 5": False
-  Bracken:
-    "% Unclassified": False
-    "% Top 5": False
+  Kraken: False
+  Bracken: False
   Centrifuge: False
   DIAMOND:
     queries_aligned: False
diff --git a/conf/modules.config b/conf/modules.config
index 8f1291a..2891590 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -158,7 +158,7 @@ process {
             [
                 path: { "${params.outdir}/porechop" },
                 mode: params.publish_dir_mode,
-                pattern: '*.fastq.gz',
+                pattern: '*_porechopped.fastq.gz',
                 enabled: params.save_preprocessed_reads
             ],
             [
diff --git a/modules.json b/modules.json
index 3d54d9d..2375da6 100644
--- a/modules.json
+++ b/modules.json
@@ -179,7 +179,8 @@
                     "porechop/porechop": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": ["modules"],
+                        "patch": "modules/nf-core/porechop/porechop/porechop-porechop.diff"
                     },
                     "prinseqplusplus": {
                         "branch": "master",
diff --git a/modules/nf-core/porechop/porechop/main.nf b/modules/nf-core/porechop/porechop/main.nf
index 5267910..37735ea 100644
--- a/modules/nf-core/porechop/porechop/main.nf
+++ b/modules/nf-core/porechop/porechop/main.nf
@@ -22,12 +22,16 @@ process PORECHOP_PORECHOP {
     def args = task.ext.args ?: ''
     def prefix = task.ext.prefix ?: "${meta.id}"
     """
+    ## To ensure ID matches rest of pipeline based on meta.id rather than input file name
+    mv $reads ${prefix}.fastq.gz
+
     porechop \\
         -i $reads \\
         -t $task.cpus \\
         $args \\
-        -o ${prefix}.fastq.gz \\
+        -o ${prefix}_porechopped.fastq.gz \\
         > ${prefix}.log
+
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":
         porechop: \$( porechop --version )
diff --git a/modules/nf-core/porechop/porechop/porechop-porechop.diff b/modules/nf-core/porechop/porechop/porechop-porechop.diff
new file mode 100644
index 0000000..897e1d2
--- /dev/null
+++ b/modules/nf-core/porechop/porechop/porechop-porechop.diff
@@ -0,0 +1,23 @@
+Changes in module 'nf-core/porechop/porechop'
+--- modules/nf-core/porechop/porechop/main.nf
++++ modules/nf-core/porechop/porechop/main.nf
+@@ -22,12 +22,16 @@
+     def args = task.ext.args ?: ''
+     def prefix = task.ext.prefix ?: "${meta.id}"
+     """
++    ## To ensure ID matches rest of pipeline based on meta.id rather than input file name
++    mv $reads ${prefix}.fastq.gz
++
+     porechop \\
+         -i $reads \\
+         -t $task.cpus \\
+         $args \\
+-        -o ${prefix}.fastq.gz \\
++        -o ${prefix}_porechopped.fastq.gz \\
+         > ${prefix}.log
++
+     cat <<-END_VERSIONS > versions.yml
+     "${task.process}":
+         porechop: \$( porechop --version )
+
+************************************************************

From bdbb111344adc4ab6fdca52d1aa1db3cb16dbde3 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 24 Jan 2023 15:08:28 +0100
Subject: [PATCH 622/789] Turn off all profilers in generla stats

---
 assets/multiqc_config.yml | 26 ++++----------------------
 1 file changed, 4 insertions(+), 22 deletions(-)

diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml
index bb0d3cc..2e38968 100644
--- a/assets/multiqc_config.yml
+++ b/assets/multiqc_config.yml
@@ -271,28 +271,10 @@ table_columns_visible:
   Kraken: False
   Bracken: False
   Centrifuge: False
-  DIAMOND:
-    queries_aligned: False
-  Kaiju:
-    assigned: False
-    "% Assigned": False
-    "% Unclassified": False
-  MALT:
-    "Num. of queries": False
-    Total reads: False
-    Mappability: False
-    Assig. Taxonomy: False
-    Taxonomic assignment success: False
-  motus:
-    Total number of reads: False
-    Number of reads after filtering: False
-    Total number of inserts: False
-    Unique mappers: False
-    Multiple mappers: False
-    Ignored multiple mapper without unique hit: False
-    "Number of ref-mOTUs": False
-    "Number of meta-mOTUs": False
-    "Number of ext-mOTUs": False
+  DIAMOND: False
+  Kaiju: False
+  MALT: False
+  motus: False
 
 table_columns_name:
   FastQC (pre-Trimming):

From f940b07dfe64b5b6aaee97c82ad01240c0757a50 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 24 Jan 2023 15:15:02 +0100
Subject: [PATCH 623/789] Remove changes from other PR

---
 conf/modules.config | 1 -
 1 file changed, 1 deletion(-)

diff --git a/conf/modules.config b/conf/modules.config
index ccf63e5..28ede9d 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -471,7 +471,6 @@ process {
     }
 
     withName: KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE {
-        errorStrategy = { task.exitStatus in [255,1] ? 'ignore' : 'retry' }
         ext.prefix = { "centrifuge_${meta.id}_combined_reports" }
         publishDir = [
             path: { "${params.outdir}/centrifuge/" },

From 78436655440bffbbe5fa49f0e59b9bfc46829bf7 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 24 Jan 2023 15:32:49 +0100
Subject: [PATCH 624/789] Link rather than mv

---
 modules/nf-core/porechop/porechop/main.nf                | 4 ++--
 modules/nf-core/porechop/porechop/porechop-porechop.diff | 5 +++--
 2 files changed, 5 insertions(+), 4 deletions(-)

diff --git a/modules/nf-core/porechop/porechop/main.nf b/modules/nf-core/porechop/porechop/main.nf
index 37735ea..b0ee60b 100644
--- a/modules/nf-core/porechop/porechop/main.nf
+++ b/modules/nf-core/porechop/porechop/main.nf
@@ -23,10 +23,10 @@ process PORECHOP_PORECHOP {
     def prefix = task.ext.prefix ?: "${meta.id}"
     """
     ## To ensure ID matches rest of pipeline based on meta.id rather than input file name
-    mv $reads ${prefix}.fastq.gz
+    ln -s $reads ${prefix}.fastq.gz
 
     porechop \\
-        -i $reads \\
+        -i ${prefix}.fastq.gz \\
         -t $task.cpus \\
         $args \\
         -o ${prefix}_porechopped.fastq.gz \\
diff --git a/modules/nf-core/porechop/porechop/porechop-porechop.diff b/modules/nf-core/porechop/porechop/porechop-porechop.diff
index 897e1d2..3d73922 100644
--- a/modules/nf-core/porechop/porechop/porechop-porechop.diff
+++ b/modules/nf-core/porechop/porechop/porechop-porechop.diff
@@ -6,10 +6,11 @@ Changes in module 'nf-core/porechop/porechop'
      def prefix = task.ext.prefix ?: "${meta.id}"
      """
 +    ## To ensure ID matches rest of pipeline based on meta.id rather than input file name
-+    mv $reads ${prefix}.fastq.gz
++    ln -s $reads ${prefix}.fastq.gz
 +
      porechop \\
-         -i $reads \\
+-        -i $reads \\
++        -i ${prefix}.fastq.gz \\
          -t $task.cpus \\
          $args \\
 -        -o ${prefix}.fastq.gz \\

From 4289e1f901cbb0381d180904b2b19e090cfbbcd3 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Tue, 24 Jan 2023 15:42:14 +0100
Subject: [PATCH 625/789] Remove metaphlan3 nanopore filter as _sometimes_ it
 can work

---
 subworkflows/local/profiling.nf | 2 --
 1 file changed, 2 deletions(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 1fe4cbb..6b5347f 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -203,8 +203,6 @@ workflow PROFILING {
                             .filter{
                                 if (it[0].is_fasta) log.warn "[nf-core/taxprofiler] MetaPhlAn3 currently does not accept FASTA files as input. Skipping MetaPhlAn3 for sample ${it[0].id}."
                                 !it[0].is_fasta
-                                if (it[0].instrument_platform == 'OXFORD_NANOPORE') log.warn "[nf-core/taxprofiler] MetaPhlAn3 has not been evaluated for Nanopore data. Skipping MetaPhlAn3 for sample ${it[0].id}."
-                                !it[0].instrument_platform == 'OXFORD_NANOPORE'
                             }
                             .multiMap {
                                 it ->

From 4f8ac72e1f6b804bf0628a9f1c8362a7c6a67eb7 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Wed, 25 Jan 2023 13:25:33 +0100
Subject: [PATCH 626/789] Add description of each tool

---
 docs/output.md | 44 +++++++++++++++++++++++++++++++++++---------
 1 file changed, 35 insertions(+), 9 deletions(-)

diff --git a/docs/output.md b/docs/output.md
index 17d37b5..15359b8 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -71,6 +71,8 @@ It is used in nf-core/taxprofiler for adapter trimming of short-reads.
 
 </details>
 
+By default nf-core/taxprofiler will only provide the `<sample_id>.fastp.fastq.gz` file if fastp is selected. The file `<sample_id>.merged.fastq.gz` will be available in the output folder if you provide the argument `--shortread_qc_includeunmerged`. You can change the default value for low complexity filtering by using the argument `--shortread_complexityfilter_fastp_threshold`.
+
 ### AdapterRemoval
 
 [AdapterRemoval](https://adapterremoval.readthedocs.io/en/stable/) searches for and removes remnant adapter sequences from High-Throughput Sequencing (HTS) data and (optionally) trims low quality bases from the 3' end of reads following adapter removal. It is popular in the field of palaeogenomics. The output logs are stored in the results folder, and as a part of the MultiQC report.
@@ -89,12 +91,14 @@ It is used in nf-core/taxprofiler for adapter trimming of short-reads.
 
 </details>
 
-By default nf-core/taxprofiler will only provide the `.settings` file if AdapterRemoval is selected. You will only find the FASTQ files in the results directory if you provide ` --save_preprocessed_reads` . If this is selected, you may recieve different combinations of FASTQ files for each sample depending on the input types - e.g. whether you have merged or not, or if you're supplying both single- and paired-end reads.
+By default nf-core/taxprofiler will only provide the `.settings` file if AdapterRemoval is selected. You will only find the FASTQ files in the results directory if you provide ` --save_preprocessed_reads` . If this is selected, you may receive different combinations of FASTQ files for each sample depending on the input types - e.g. whether you have merged or not, or if you're supplying both single- and paired-end reads.
 
 Note that the FASTQ files may _not_ always be the 'final' reads that go into taxprofiling, if you also run other steps such as complexity filtering, host removal, run merging etc..
 
 ### Porechop
 
+[Porechop](https://github.com/rrwick/Porechop) is a tool for finding and removing adapters from Oxford Nanopore reads. Adapters on the ends of reads are trimmed and if a read has an adapter in its middle, it is considered a chimeric and it chopped into separate reads.
+
 <details markdown="1">
 <summary>Output files</summary>
 
@@ -103,6 +107,9 @@ Note that the FASTQ files may _not_ always be the 'final' reads that go into tax
 
 </details>
 
+The output logs are saved in the output folder and are part of MultiQC report.
+We do **not** recommend using Porechop if you are already trimming the adapters with ONT's basecaller Guppy.
+
 ### BBDuk
 
 [BBDuk](https://jgi.doe.gov/data-and-tools/software-tools/bbtools/bb-tools-user-guide/bbduk-guide/) stands for Decontamination Using Kmers. BBDuk was developed to combine most common data-quality-related trimming, filtering, and masking operations into a single high-performance tool.
@@ -143,7 +150,7 @@ Note that the FASTQ file(s) may _not_ always be the 'final' reads that go into t
 
 ### Filtlong
 
-[Filtlong](https://github.com/rrwick/Filtlong) is a quality filtering tool for long reads.
+[Filtlong](https://github.com/rrwick/Filtlong) is a quality filtering tool for long reads. It can take a set of small reads and produce a smaller, better subset.
 
 <details markdown="1">
 <summary>Output files</summary>
@@ -154,6 +161,8 @@ Note that the FASTQ file(s) may _not_ always be the 'final' reads that go into t
 
 </details>
 
+We do **not** recommend using Filtlong if you are performing filtering of low quality reads with ONT's basecaller Guppy.
+
 ### Bowtie2
 
 [Bowtie 2](https://bowtie-bio.sourceforge.net/bowtie2/index.shtml) is an ultrafast and memory-efficient tool for aligning sequencing reads to long reference sequences. It is particularly good at aligning reads of about 50 up to 100s or 1,000s of characters, and particularly good at aligning to relatively long (e.g. mammalian) genomes.
@@ -188,6 +197,9 @@ It is used with nf-core/taxprofiler to allow removal of 'host' (e.g. human) or o
 
 </details>
 
+By default, nf-core taxprofiler will provide the `.bam` file if host removal for long reads is turned on.
+minimap2 is not yet supported as a module in MultiQC and therefore the alignment to host genome is reported via samtools stats in MultiQC report.
+
 ### Samtools stats
 
 [Samtools stats](http://www.htslib.org/doc/samtools-stats.html) collects statistics from an alignment file and outputs in a text format.
@@ -200,9 +212,11 @@ It is used with nf-core/taxprofiler to allow removal of 'host' (e.g. human) or o
 
 </details>
 
+Samtools output file is part of the MultiQC report and gives statistics about the mapped/unmapped reads to host reference genome.
+
 ### Bracken
 
-[Bracken](https://ccb.jhu.edu/software/bracken/) (Bayesian Reestimation of Abundance with KrakEN) is a highly accurate statistical method that computes the abundance of species in DNA sequences from a metagenomics sample. Braken uses the taxonomy labels assigned by Kraken, a highly accurate metagenomics classification algorithm, to estimate the number of reads originating from each species present in a sample.
+[Bracken](https://ccb.jhu.edu/software/bracken/) (Bayesian Reestimation of Abundance with Kraken) is a highly accurate statistical method that computes the abundance of species in DNA sequences from a metagenomics sample. Braken uses the taxonomy labels assigned by Kraken, a highly accurate metagenomics classification algorithm, to estimate the number of reads originating from each species present in a sample.
 
 > 🛈 The first step of using Bracken requires running Kraken2, therefore the initial results before abundance estimation will be found in `<your_results>/kraken2/<your_bracken_db_name>`.
 
@@ -235,9 +249,9 @@ The main taxonomic profiling file from Bracken is the `*.tsv` file. This provide
 
 </details>
 
-The main taxonomic profiling file from Kraken2 is the `_combined_reports.txt` or `*report.txt` file. The former provides you the broadest over view of the taxonomic profiling results across all samples against a single databse, where you get two columns for each sample e.g. `2_all` and `2_lvl`, as well as a summarised column summing up across all samples `tot_all` and `tot_lvl`. The latter gives you the most information for a single sample. The report file is also used for the taxpasta step.
+The main taxonomic classification file from Kraken2 is the `_combined_reports.txt` or `*report.txt` file. The former provides you the broadest over view of the taxonomic classification results across all samples against a single databse, where you get two columns for each sample e.g. `2_all` and `2_lvl`, as well as a summarised column summing up across all samples `tot_all` and `tot_lvl`. The latter gives you the most information for a single sample. The report file is also used for the taxpasta step.
 
-You will only recieve the FASTQs and `*classifiedreads.txt` file if you supply `--kraken2_save_reads` and/or `--kraken2_save_readclassification` parameters to the pipeline.
+You will only receive the FASTQs and `*classifiedreads.txt` file if you supply `--kraken2_save_reads` and/or `--kraken2_save_readclassification` parameters to the pipeline.
 
 ### KrakenUniq
 
@@ -255,7 +269,7 @@ You will only recieve the FASTQs and `*classifiedreads.txt` file if you supply `
 
 </details>
 
-The main taxonomic profiling file from KrakenUniq is the `*report.txt` file. This is an extension of the Kraken2 report with the additional k-mer coverage information that provides more information about the accuracy of hits.
+The main taxonomic classification file from KrakenUniq is the `*report.txt` file. This is an extension of the Kraken2 report with the additional k-mer coverage information that provides more information about the accuracy of hits.
 
 > ⚠️ The output system of KrakenUniq can result in other `stdout` or `stderr` logging information being saved in the report file, therefore you must check your report files before downstream use!
 
@@ -277,8 +291,12 @@ You will only receive the FASTQs and `*classifiedreads.txt` file if you supply `
 
 </details>
 
+The main taxonomic classification files from Centrifuge are the `_combined_reports.txt`, `*report.txt`, `*results.txt` and the `*centrifuge.txt`. The latter is used by the taxpasta step. You will receive the FASTQ files if you supply `--centrifuge_save_reads`.
+
 ### Kaiju
 
+[Kaiju](https://github.com/bioinformatics-centre/kaiju) is a taxonomic classifier that finds maximum exact matches on the protein-level using the Burrows–Wheeler transform.
+
 <details markdown="1">
 <summary>Output files</summary>
 
@@ -288,6 +306,8 @@ You will only receive the FASTQs and `*classifiedreads.txt` file if you supply `
 
 </details>
 
+The default taxonomic rank is `species`. You can provide a different one by updating the argument `--kaiju_taxon_rank`.
+
 ### DIAMOND
 
 [DIAMOND](https://github.com/bbuchfink/diamond) is a sequence aligner for translated DNA searches or protein sequences against a protein reference database such as NR. It is a replacement for the NCBI BLAST software tools.It has many key features and it is used as taxonomic classifier in nf-core/taxprofiler.
@@ -301,6 +321,8 @@ You will only receive the FASTQs and `*classifiedreads.txt` file if you supply `
 
 </details>
 
+You will receive the `*.sam` file if you provide the parameter `--diamond_save_reads` but in this case no taxonomic classification will be available, only the aligned reads in sam format.
+
 ### MALT
 
 [MALT](https://software-ab.cs.uni-tuebingen.de/download/malt) is a fast replacement for BLASTX, BLASTP and BLASTN, and provides both local and semi-global alignment capabilities.
@@ -319,7 +341,7 @@ You will only receive the FASTQs and `*classifiedreads.txt` file if you supply `
 
 The main output of MALT is the `.rma6` file format, which can be only loaded into MEGAN and it's related tools. We provide the `rma2info` text files for improved compatibility with spreadsheet programs and other programmtic data manipulation tools, however this has only limited information compared to the 'binary' RMA6 file format (the `txt` file only contains taxonomic ID and count, whereas RMA6 has taxonomic lineage information).
 
-You will only recieve the `.sam` and `.megan` files if you supply `--malt_save_reads` and/or `--malt_generate_megansummary` parameters to the pipeline.
+You will only receive the `.sam` and `.megan` files if you supply `--malt_save_reads` and/or `--malt_generate_megansummary` parameters to the pipeline.
 
 ### MetaPhlAn3
 
@@ -341,7 +363,7 @@ The main taxonomic profiling file from MetaPhlAn3 is the `*_profile.txt` file. T
 
 ### mOTUs
 
-[mOTUS](https://github.com/motu-tool/mOTUs) maps reads to a unique marker specific database and estimates the relative abundance of known and unknown species.
+[mOTUS](https://github.com/motu-tool/mOTUs) is a taxonomic profiler that maps reads to a unique marker specific database and estimates the relative abundance of known and unknown species.
 
 <details markdown="1">
 <summary>Output files</summary>
@@ -352,9 +374,13 @@ The main taxonomic profiling file from MetaPhlAn3 is the `*_profile.txt` file. T
   - `motus_<db_name>_combined_reports.txt`: A combined profile of all samples aligned to a given database (as generated by `motus_merge`)
 
 </details>
+
+By default, nf-core/taxprofiler is providing a column describing NCBI taxonomic ID as this is used in the taxpasta step. You can disable this column by activating the argument `--motus_remove_ncbi_ids`.
+You will receive the relative abundance instead of read counts if you provide the argument `--motus_use_relative_abundance`.
+
 ### Krona
 
-[Krona](https://github.com/marbl/Krona) is Krona allows the exploration of (metagenomic) hierarchical data with interactive zooming, multi-layered pie charts.
+[Krona](https://github.com/marbl/Krona) allows the exploration of (metagenomic) hierarchical data with interactive zooming, multi-layered pie charts.
 
 Krona charts will be generated by the pipeline for supported tools (Kraken2, Centrifuge, Kaiju, and MALT)
 

From d761edb615a444a548743502668f51f3e646a2c9 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 25 Jan 2023 14:55:57 +0100
Subject: [PATCH 627/789] Patch the patch

---
 modules/nf-core/porechop/porechop/main.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/nf-core/porechop/porechop/main.nf b/modules/nf-core/porechop/porechop/main.nf
index b0ee60b..533734e 100644
--- a/modules/nf-core/porechop/porechop/main.nf
+++ b/modules/nf-core/porechop/porechop/main.nf
@@ -11,7 +11,7 @@ process PORECHOP_PORECHOP {
     tuple val(meta), path(reads)
 
     output:
-    tuple val(meta), path("*.fastq.gz"), emit: reads
+    tuple val(meta), path("*_porechopped.fastq.gz"), emit: reads
     tuple val(meta), path("*.log")     , emit: log
     path "versions.yml"                , emit: versions
 

From f63cec347394a3015ac885a333edffd95ae20c49 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 25 Jan 2023 14:58:19 +0100
Subject: [PATCH 628/789] Actually patch the patch

---
 modules/nf-core/porechop/porechop/porechop-porechop.diff | 9 +++++++++
 1 file changed, 9 insertions(+)

diff --git a/modules/nf-core/porechop/porechop/porechop-porechop.diff b/modules/nf-core/porechop/porechop/porechop-porechop.diff
index 3d73922..6c72cb1 100644
--- a/modules/nf-core/porechop/porechop/porechop-porechop.diff
+++ b/modules/nf-core/porechop/porechop/porechop-porechop.diff
@@ -1,6 +1,15 @@
 Changes in module 'nf-core/porechop/porechop'
 --- modules/nf-core/porechop/porechop/main.nf
 +++ modules/nf-core/porechop/porechop/main.nf
+@@ -11,7 +11,7 @@
+     tuple val(meta), path(reads)
+ 
+     output:
+-    tuple val(meta), path("*.fastq.gz"), emit: reads
++    tuple val(meta), path("*_porechopped.fastq.gz"), emit: reads
+     tuple val(meta), path("*.log")     , emit: log
+     path "versions.yml"                , emit: versions
+ 
 @@ -22,12 +22,16 @@
      def args = task.ext.args ?: ''
      def prefix = task.ext.prefix ?: "${meta.id}"

From a77a437313d1923cb8b77a4abfe1e7f4ae69b87f Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 25 Jan 2023 15:02:02 +0100
Subject: [PATCH 629/789] Triple patch combo!

---
 modules/nf-core/porechop/porechop/main.nf                | 3 ++-
 modules/nf-core/porechop/porechop/porechop-porechop.diff | 5 +++--
 2 files changed, 5 insertions(+), 3 deletions(-)

diff --git a/modules/nf-core/porechop/porechop/main.nf b/modules/nf-core/porechop/porechop/main.nf
index 533734e..0b00759 100644
--- a/modules/nf-core/porechop/porechop/main.nf
+++ b/modules/nf-core/porechop/porechop/main.nf
@@ -23,7 +23,8 @@ process PORECHOP_PORECHOP {
     def prefix = task.ext.prefix ?: "${meta.id}"
     """
     ## To ensure ID matches rest of pipeline based on meta.id rather than input file name
-    ln -s $reads ${prefix}.fastq.gz
+    
+    [[ -f ${prefix}.fastq.gz   ]] || ln -s $reads ${prefix}.fastq.gz
 
     porechop \\
         -i ${prefix}.fastq.gz \\
diff --git a/modules/nf-core/porechop/porechop/porechop-porechop.diff b/modules/nf-core/porechop/porechop/porechop-porechop.diff
index 6c72cb1..5d51f24 100644
--- a/modules/nf-core/porechop/porechop/porechop-porechop.diff
+++ b/modules/nf-core/porechop/porechop/porechop-porechop.diff
@@ -10,12 +10,13 @@ Changes in module 'nf-core/porechop/porechop'
      tuple val(meta), path("*.log")     , emit: log
      path "versions.yml"                , emit: versions
  
-@@ -22,12 +22,16 @@
+@@ -22,12 +22,17 @@
      def args = task.ext.args ?: ''
      def prefix = task.ext.prefix ?: "${meta.id}"
      """
 +    ## To ensure ID matches rest of pipeline based on meta.id rather than input file name
-+    ln -s $reads ${prefix}.fastq.gz
++    
++    [[ -f ${prefix}.fastq.gz   ]] || ln -s $reads ${prefix}.fastq.gz
 +
      porechop \\
 -        -i $reads \\

From bc2876228c9c1bde4bbacafacb91fe299f336021 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Wed, 25 Jan 2023 15:11:43 +0100
Subject: [PATCH 630/789] Apply review suggestions

---
 docs/output.md | 16 +++++++++-------
 1 file changed, 9 insertions(+), 7 deletions(-)

diff --git a/docs/output.md b/docs/output.md
index 15359b8..6c707aa 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -107,7 +107,7 @@ Note that the FASTQ files may _not_ always be the 'final' reads that go into tax
 
 </details>
 
-The output logs are saved in the output folder and are part of MultiQC report.
+The output logs are saved in the output folder and are part of MultiQC report.You do not normally need to check these manually.
 We do **not** recommend using Porechop if you are already trimming the adapters with ONT's basecaller Guppy.
 
 ### BBDuk
@@ -161,6 +161,8 @@ Note that the FASTQ file(s) may _not_ always be the 'final' reads that go into t
 
 </details>
 
+You can use the filtered FASTQ for other downstream analyses to reduce repeated preprocessing of files.
+
 We do **not** recommend using Filtlong if you are performing filtering of low quality reads with ONT's basecaller Guppy.
 
 ### Bowtie2
@@ -197,8 +199,8 @@ It is used with nf-core/taxprofiler to allow removal of 'host' (e.g. human) or o
 
 </details>
 
-By default, nf-core taxprofiler will provide the `.bam` file if host removal for long reads is turned on.
-minimap2 is not yet supported as a module in MultiQC and therefore the alignment to host genome is reported via samtools stats in MultiQC report.
+By default, nf-core taxprofiler will only provide the `.bam` file if host removal for long reads is turned on.
+Note: minimap2 is not yet supported as a module in MultiQC and therefore there is no dedicated section in the MultiQC HTML. Rather, alignment statistics to host genome is reported via samtools stats module in MultiQC report.
 
 ### Samtools stats
 
@@ -212,7 +214,7 @@ minimap2 is not yet supported as a module in MultiQC and therefore the alignment
 
 </details>
 
-Samtools output file is part of the MultiQC report and gives statistics about the mapped/unmapped reads to host reference genome.
+In most cases you do not need to check this file, as it is rendered in the MultiQC run report.
 
 ### Bracken
 
@@ -306,7 +308,7 @@ The main taxonomic classification files from Centrifuge are the `_combined_repor
 
 </details>
 
-The default taxonomic rank is `species`. You can provide a different one by updating the argument `--kaiju_taxon_rank`.
+The most summary file is the `*combined_reports` file which summarises results across all samples. However if you wish to look at more precise information about each assignment, check the per-sample file. The default taxonomic rank is `species`. You can provide a different one by updating the argument `--kaiju_taxon_rank`.
 
 ### DIAMOND
 
@@ -321,7 +323,7 @@ The default taxonomic rank is `species`. You can provide a different one by upda
 
 </details>
 
-You will receive the `*.sam` file if you provide the parameter `--diamond_save_reads` but in this case no taxonomic classification will be available, only the aligned reads in sam format.
+By default you will receive a TSV output. Alternatively, you will receive a `*.sam` file if you provide the parameter `--diamond_save_reads` but in this case no taxonomic classification will be available(!), only the aligned reads in sam format. Note that DIAMOND has many output formats, so depending on your [choice](https://github.com/bbuchfink/diamond/wiki/3.-Command-line-options) with ` --diamond_output_format` you will receive the taxonomic information in a different format.
 
 ### MALT
 
@@ -375,7 +377,7 @@ The main taxonomic profiling file from MetaPhlAn3 is the `*_profile.txt` file. T
 
 </details>
 
-By default, nf-core/taxprofiler is providing a column describing NCBI taxonomic ID as this is used in the taxpasta step. You can disable this column by activating the argument `--motus_remove_ncbi_ids`.
+Normally `*_combined_reports.txt` is the most useful file for downstream analyses, but the per sample `.out` file can provide additional more specific information. By default, nf-core/taxprofiler is providing a column describing NCBI taxonomic ID as this is used in the taxpasta step. You can disable this column by activating the argument `--motus_remove_ncbi_ids`.
 You will receive the relative abundance instead of read counts if you provide the argument `--motus_use_relative_abundance`.
 
 ### Krona

From 0edef9ea57c689d0de1799b8a147b6b774367adf Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Mon, 30 Jan 2023 11:16:18 +0100
Subject: [PATCH 631/789] Review suggestions + prettier

---
 docs/output.md | 34 ++++++++++++++++++----------------
 1 file changed, 18 insertions(+), 16 deletions(-)

diff --git a/docs/output.md b/docs/output.md
index 6c707aa..b7bea1a 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -71,7 +71,7 @@ It is used in nf-core/taxprofiler for adapter trimming of short-reads.
 
 </details>
 
-By default nf-core/taxprofiler will only provide the `<sample_id>.fastp.fastq.gz` file if fastp is selected. The file `<sample_id>.merged.fastq.gz` will be available in the output folder if you provide the argument `--shortread_qc_includeunmerged`. You can change the default value for low complexity filtering by using the argument `--shortread_complexityfilter_fastp_threshold`.
+By default nf-core/taxprofiler will only provide the `<sample_id>.fastp.fastq.gz` file if fastp is selected. The file `<sample_id>.merged.fastq.gz` will be available in the output folder if you provide the argument ` --shortread_qc_mergepairs` (optionally retaining un-merged pairs when in combination with `--shortread_qc_includeunmerged`). You can change the default value for low complexity filtering by using the argument `--shortread_complexityfilter_fastp_threshold`.
 
 ### AdapterRemoval
 
@@ -91,9 +91,9 @@ By default nf-core/taxprofiler will only provide the `<sample_id>.fastp.fastq.gz
 
 </details>
 
-By default nf-core/taxprofiler will only provide the `.settings` file if AdapterRemoval is selected. You will only find the FASTQ files in the results directory if you provide ` --save_preprocessed_reads` . If this is selected, you may receive different combinations of FASTQ files for each sample depending on the input types - e.g. whether you have merged or not, or if you're supplying both single- and paired-end reads.
+By default nf-core/taxprofiler will only provide the `.settings` file if AdapterRemoval is selected. You will only find the `.fastq` files in the results directory if you provide ` --save_preprocessed_reads` . If this is selected, you may receive different combinations of `.fastq` files for each sample depending on the input types - e.g. whether you have merged or not, or if you're supplying both single- and paired-end reads.
 
-Note that the FASTQ files may _not_ always be the 'final' reads that go into taxprofiling, if you also run other steps such as complexity filtering, host removal, run merging etc..
+Note that the `.fastq` files may _not_ always be the 'final' reads that go into taxprofiling, if you also run other steps such as complexity filtering, host removal, run merging etc..
 
 ### Porechop
 
@@ -127,7 +127,7 @@ It is used in nf-core/taxprofiler for complexity filtering using different algor
 
 By default nf-core/taxprofiler will only provide the `.log` file if BBDuk is selected as the complexity filtering tool. You will only find the complexity filtered reads in your results directory if you provide ` --save_complexityfiltered_reads` .
 
-Note that the FASTQ file(s) may _not_ always be the 'final' reads that go into taxprofiling, if you also run other steps such as host removal, run merging etc..
+Note that the `.fastq` file(s) may _not_ always be the 'final' reads that go into taxprofiling, if you also run other steps such as host removal, run merging etc..
 
 ### PRINSEQ++
 
@@ -144,9 +144,9 @@ It is used in nf-core/taxprofiler for complexity filtering using different algor
 
 </details>
 
-By default nf-core/taxprofiler will only provide the `.log` file if PRINSEQ++ is selected as the complexity filtering tool. You will only find the complexity filtered FASTQ files in your results directory if you supply ` --save_complexityfiltered_reads` .
+By default nf-core/taxprofiler will only provide the `.log` file if PRINSEQ++ is selected as the complexity filtering tool. You will only find the complexity filtered `.fastq` files in your results directory if you supply ` --save_complexityfiltered_reads` .
 
-Note that the FASTQ file(s) may _not_ always be the 'final' reads that go into taxprofiling, if you also run other steps such as host removal, run merging etc..
+Note that the `.fastq` file(s) may _not_ always be the 'final' reads that go into taxprofiling, if you also run other steps such as host removal, run merging etc..
 
 ### Filtlong
 
@@ -161,7 +161,7 @@ Note that the FASTQ file(s) may _not_ always be the 'final' reads that go into t
 
 </details>
 
-You can use the filtered FASTQ for other downstream analyses to reduce repeated preprocessing of files.
+You can use the filtered `.fastq` for other downstream analyses to reduce repeated preprocessing of files.
 
 We do **not** recommend using Filtlong if you are performing filtering of low quality reads with ONT's basecaller Guppy.
 
@@ -169,7 +169,7 @@ We do **not** recommend using Filtlong if you are performing filtering of low qu
 
 [Bowtie 2](https://bowtie-bio.sourceforge.net/bowtie2/index.shtml) is an ultrafast and memory-efficient tool for aligning sequencing reads to long reference sequences. It is particularly good at aligning reads of about 50 up to 100s or 1,000s of characters, and particularly good at aligning to relatively long (e.g. mammalian) genomes.
 
-It is used with nf-core/taxprofiler to allow removal of 'host' (e.g. human) or other possible contaminant reads (e.g. Phi X) from the FASTQ files prior to profiling.
+It is used with nf-core/taxprofiler to allow removal of 'host' (e.g. human) or other possible contaminant reads (e.g. Phi X) from short-read `.fastq` files prior to profiling.
 
 <details markdown="1">
 <summary>Output files</summary>
@@ -181,15 +181,15 @@ It is used with nf-core/taxprofiler to allow removal of 'host' (e.g. human) or o
 
 </details>
 
-By default nf-core/taxprofiler will only provide the `.log` file if host removal is turned on. You will only see the mapped (host) reads BAM file or the off-target reads in FASTQ format in your results directory if you provide `--save_hostremoval_mapped` and ` --save_hostremoval_unmapped` respectively.
+By default nf-core/taxprofiler will only provide the `.log` file if host removal is turned on. You will only see the mapped (host) reads `.bam` file or the off-target reads in `.fastq` format in your results directory if you provide `--save_hostremoval_mapped` and ` --save_hostremoval_unmapped` respectively.
 
-Note that the FASTQ file(s) may _not_ always be the 'final' reads that go into taxprofiling, if you also run other steps such as host removal, run merging etc..
+Note that the `.fastq` file(s) may _not_ always be the 'final' reads that go into taxonomic classification, if you also run other steps such as host removal, run merging etc.. Furthermore, while there is a dedicated section in the MultiQC HTML for Bowtie2, these values are not displayed by default in the General Stats table. Rather, alignment statistics to host genome is reported via samtools stats module in MultiQC report for direct comparison with minimap2 (see below).
 
 ### minimap2
 
 [minimap2](https://github.com/lh3/minimap2) is an alignment tool suited to mapping long reads to reference sequences.
 
-It is used with nf-core/taxprofiler to allow removal of 'host' (e.g. human) or other possible contaminant reads from the FASTQ files prior to taxonomic classification/profiling.
+It is used with nf-core/taxprofiler to allow removal of 'host' (e.g. human) or other possible contaminant reads from long-read `.fastq` files prior to taxonomic classification/profiling.
 
 <details markdown="1">
 <summary>Output files</summary>
@@ -204,7 +204,7 @@ Note: minimap2 is not yet supported as a module in MultiQC and therefore there i
 
 ### Samtools stats
 
-[Samtools stats](http://www.htslib.org/doc/samtools-stats.html) collects statistics from an alignment file and outputs in a text format.
+[Samtools stats](http://www.htslib.org/doc/samtools-stats.html) collects statistics from a SAM, `.bam`, or CRAM alignment file and outputs in a text format.
 
 <details markdown="1">
 <summary>Output files</summary>
@@ -253,7 +253,7 @@ The main taxonomic profiling file from Bracken is the `*.tsv` file. This provide
 
 The main taxonomic classification file from Kraken2 is the `_combined_reports.txt` or `*report.txt` file. The former provides you the broadest over view of the taxonomic classification results across all samples against a single databse, where you get two columns for each sample e.g. `2_all` and `2_lvl`, as well as a summarised column summing up across all samples `tot_all` and `tot_lvl`. The latter gives you the most information for a single sample. The report file is also used for the taxpasta step.
 
-You will only receive the FASTQs and `*classifiedreads.txt` file if you supply `--kraken2_save_reads` and/or `--kraken2_save_readclassification` parameters to the pipeline.
+You will only receive the `.fastq` and `*classifiedreads.txt` file if you supply `--kraken2_save_reads` and/or `--kraken2_save_readclassification` parameters to the pipeline.
 
 ### KrakenUniq
 
@@ -275,7 +275,7 @@ The main taxonomic classification file from KrakenUniq is the `*report.txt` file
 
 > ⚠️ The output system of KrakenUniq can result in other `stdout` or `stderr` logging information being saved in the report file, therefore you must check your report files before downstream use!
 
-You will only receive the FASTQs and `*classifiedreads.txt` file if you supply `--krakenuniq_save_reads` and/or `--krakenuniq_save_readclassification` parameters to the pipeline.
+You will only receive the `.fastq` and `*classifiedreads.txt` file if you supply `--krakenuniq_save_reads` and/or `--krakenuniq_save_readclassification` parameters to the pipeline.
 
 ### Centrifuge
 
@@ -293,7 +293,7 @@ You will only receive the FASTQs and `*classifiedreads.txt` file if you supply `
 
 </details>
 
-The main taxonomic classification files from Centrifuge are the `_combined_reports.txt`, `*report.txt`, `*results.txt` and the `*centrifuge.txt`. The latter is used by the taxpasta step. You will receive the FASTQ files if you supply `--centrifuge_save_reads`.
+The main taxonomic classification files from Centrifuge are the `_combined_reports.txt`, `*report.txt`, `*results.txt` and the `*centrifuge.txt`. The latter is used by the taxpasta step. You will receive the `.fastq` files if you supply `--centrifuge_save_reads`.
 
 ### Kaiju
 
@@ -308,7 +308,7 @@ The main taxonomic classification files from Centrifuge are the `_combined_repor
 
 </details>
 
-The most summary file is the `*combined_reports` file which summarises results across all samples. However if you wish to look at more precise information about each assignment, check the per-sample file. The default taxonomic rank is `species`. You can provide a different one by updating the argument `--kaiju_taxon_rank`.
+The most summary file is the `*combined_reports.txt` file which summarises results across all samples. However if you wish to look at more precise information about each assignment, check the per-sample file. The default taxonomic rank is `species`. You can provide a different one by updating the argument `--kaiju_taxon_rank`.
 
 ### DIAMOND
 
@@ -412,6 +412,8 @@ The resulting HTML files can be loaded into your web browser for exploration. Ea
 
 Results generated by MultiQC collate pipeline QC from supported tools e.g. FastQC. The pipeline has special steps which also allow the software versions to be reported in the MultiQC output for future traceability. For more information about how to use MultiQC reports, see <http://multiqc.info>.
 
+All tools in taxprofiler supported by MultiQC will have a dedicated section showing summary statistics of each tool based on information stored in log files. Note that the 'General Stats' table by default will only show statistics referring to pre-processing steps, and will not display possible values from each classifier/profiler, unless turned on by the user within the 'Configure Columns' menu or via a custom MultiQC config file (`--multiqc_config`)
+
 ### Pipeline information
 
 <details markdown="1">

From 5b738ad353918aa846d4684a198ffdd946082375 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Tue, 31 Jan 2023 09:35:40 +0100
Subject: [PATCH 632/789] Review + prettier

---
 docs/output.md | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/docs/output.md b/docs/output.md
index b7bea1a..c785fc5 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -195,7 +195,7 @@ It is used with nf-core/taxprofiler to allow removal of 'host' (e.g. human) or o
 <summary>Output files</summary>
 
 - `minimap2`
-  - `<sample_id>.bam`: Alignment file in bam format
+  - `<sample_id>.bam`: Alignment file in BAM format
 
 </details>
 
@@ -204,7 +204,7 @@ Note: minimap2 is not yet supported as a module in MultiQC and therefore there i
 
 ### Samtools stats
 
-[Samtools stats](http://www.htslib.org/doc/samtools-stats.html) collects statistics from a SAM, `.bam`, or CRAM alignment file and outputs in a text format.
+[Samtools stats](http://www.htslib.org/doc/samtools-stats.html) collects statistics from a `.sam`, `.bam`, or `.cram` alignment file and outputs in a text format.
 
 <details markdown="1">
 <summary>Output files</summary>
@@ -285,11 +285,11 @@ You will only receive the `.fastq` and `*classifiedreads.txt` file if you supply
 <summary>Output files</summary>
 
 - `centrifuge`
-  - `<sample_id>.centrifuge.mapped.fastq.gz`: Fastq files containing all mapped reads
+  - `<sample_id>.centrifuge.mapped.fastq.gz`: `FASTQ` files containing all mapped reads
   - `<sample_id>.centrifuge.report.txt`: A classification report that summarises the taxonomic ID, the taxonomic rank, length of genome sequence, number of classified and uniquely classified reads
   - `<sample_id>.centrifuge.results.txt`: A file that summarises the classification assignment for a read, i.e read ID, sequence ID, score for the classification, score for the next best classification, number of classifications for this read
   - `<sample_id>.centrifuge.txt`: A Kraken2-style report that summarises the fraction abundance, taxonomic ID, number of k-mers, taxonomic path of all the hits in the centrifuge run for a given sample
-  - `<sample_id>.centrifuge.unmapped.fastq.gz`: Fastq file containing all unmapped reads
+  - `<sample_id>.centrifuge.unmapped.fastq.gz`: FASTQ file containing all unmapped reads
 
 </details>
 
@@ -341,7 +341,7 @@ By default you will receive a TSV output. Alternatively, you will receive a `*.s
 
 </details>
 
-The main output of MALT is the `.rma6` file format, which can be only loaded into MEGAN and it's related tools. We provide the `rma2info` text files for improved compatibility with spreadsheet programs and other programmtic data manipulation tools, however this has only limited information compared to the 'binary' RMA6 file format (the `txt` file only contains taxonomic ID and count, whereas RMA6 has taxonomic lineage information).
+The main output of MALT is the `.rma6` file format, which can be only loaded into MEGAN and it's related tools. We provide the `rma2info` text files for improved compatibility with spreadsheet programs and other programmtic data manipulation tools, however this has only limited information compared to the 'binary' RMA6 file format (the `.txt` file only contains taxonomic ID and count, whereas RMA6 has taxonomic lineage information).
 
 You will only receive the `.sam` and `.megan` files if you supply `--malt_save_reads` and/or `--malt_generate_megansummary` parameters to the pipeline.
 

From 366745bdbe9e4c652dd310430d4612bfa4e11457 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Tue, 31 Jan 2023 09:38:43 +0100
Subject: [PATCH 633/789] Prettier in usage

---
 docs/usage.md | 9 +++++----
 1 file changed, 5 insertions(+), 4 deletions(-)

diff --git a/docs/usage.md b/docs/usage.md
index 95bb0a0..c765c68 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -547,12 +547,13 @@ To build a custom Centrifuge database, a user needs to download taxonomy files,
 In total, you need four components: a tab-separated file mapping sequence IDs to taxonomy IDs (`--conversion-table`), a tab-separated file mapping taxonomy IDs to their parents and rank, up to the root of the tree (`--taxonomy-tree`), a pipe-separated file mapping taxonomy IDs to a name (`--name-table`), and the reference sequences.
 
 An example of custom `seqid2taxid.map`:
+
 ```
- NC_001133.9 4392  
- NC_012920.1 9606  
- NC_001134.8 4392  
+ NC_001133.9 4392
+ NC_012920.1 9606
+ NC_001134.8 4392
  NC_001135.5 4392
- ```
+```
 
 ```bash
 centrifuge-download -o taxonomy taxonomy

From b4d01ac226e7ab0d03b4014b37c044c3779a652a Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Tue, 31 Jan 2023 10:23:36 +0100
Subject: [PATCH 634/789] Formatting tweaks

---
 docs/output.md | 49 ++++++++++++++++++++++++++++++++-----------------
 1 file changed, 32 insertions(+), 17 deletions(-)

diff --git a/docs/output.md b/docs/output.md
index c785fc5..8ab12c0 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -71,7 +71,9 @@ It is used in nf-core/taxprofiler for adapter trimming of short-reads.
 
 </details>
 
-By default nf-core/taxprofiler will only provide the `<sample_id>.fastp.fastq.gz` file if fastp is selected. The file `<sample_id>.merged.fastq.gz` will be available in the output folder if you provide the argument ` --shortread_qc_mergepairs` (optionally retaining un-merged pairs when in combination with `--shortread_qc_includeunmerged`). You can change the default value for low complexity filtering by using the argument `--shortread_complexityfilter_fastp_threshold`.
+By default nf-core/taxprofiler will only provide the `<sample_id>.fastp.fastq.gz` file if fastp is selected. The file `<sample_id>.merged.fastq.gz` will be available in the output folder if you provide the argument ` --shortread_qc_mergepairs` (optionally retaining un-merged pairs when in combination with `--shortread_qc_includeunmerged`). 
+
+You can change the default value for low complexity filtering by using the argument `--shortread_complexityfilter_fastp_threshold`.
 
 ### AdapterRemoval
 
@@ -91,9 +93,11 @@ By default nf-core/taxprofiler will only provide the `<sample_id>.fastp.fastq.gz
 
 </details>
 
-By default nf-core/taxprofiler will only provide the `.settings` file if AdapterRemoval is selected. You will only find the `.fastq` files in the results directory if you provide ` --save_preprocessed_reads` . If this is selected, you may receive different combinations of `.fastq` files for each sample depending on the input types - e.g. whether you have merged or not, or if you're supplying both single- and paired-end reads.
+By default nf-core/taxprofiler will only provide the `.settings` file if AdapterRemoval is selected. 
+
+You will only find the `.fastq` files in the results directory if you provide ` --save_preprocessed_reads`. If this is selected, you may receive different combinations of `.fastq` files for each sample depending on the input types - e.g. whether you have merged or not, or if you're supplying both single- and paired-end reads.
 
-Note that the `.fastq` files may _not_ always be the 'final' reads that go into taxprofiling, if you also run other steps such as complexity filtering, host removal, run merging etc..
+> ⚠️ The resulting `.fastq` files may _not_ always be the 'final' reads that go into taxprofiling, if you also run other steps such as complexity filtering, host removal, run merging etc..
 
 ### Porechop
 
@@ -103,12 +107,16 @@ Note that the `.fastq` files may _not_ always be the 'final' reads that go into
 <summary>Output files</summary>
 
 - `porechop`
+  - `<sample_id>.log`: Log file containing trimming statistics
   - `<sample_id>.fastq.gz`: Adapter-trimmed file
 
 </details>
 
-The output logs are saved in the output folder and are part of MultiQC report.You do not normally need to check these manually.
-We do **not** recommend using Porechop if you are already trimming the adapters with ONT's basecaller Guppy.
+The output logs are saved in the output folder and are part of MultiQC report.You do not normally need to check these manually. 
+
+You will only find the `.fastq` files in the results directory if you provide ` --save_preprocessed_reads`. 
+
+> ⚠️ We do **not** recommend using Porechop if you are already trimming the adapters with ONT's basecaller Guppy.
 
 ### BBDuk
 
@@ -127,7 +135,7 @@ It is used in nf-core/taxprofiler for complexity filtering using different algor
 
 By default nf-core/taxprofiler will only provide the `.log` file if BBDuk is selected as the complexity filtering tool. You will only find the complexity filtered reads in your results directory if you provide ` --save_complexityfiltered_reads` .
 
-Note that the `.fastq` file(s) may _not_ always be the 'final' reads that go into taxprofiling, if you also run other steps such as host removal, run merging etc..
+> ⚠️ The resulting `.fastq` files may _not_ always be the 'final' reads that go into taxprofiling, if you also run other steps such as host removal, run merging etc..
 
 ### PRINSEQ++
 
@@ -146,7 +154,7 @@ It is used in nf-core/taxprofiler for complexity filtering using different algor
 
 By default nf-core/taxprofiler will only provide the `.log` file if PRINSEQ++ is selected as the complexity filtering tool. You will only find the complexity filtered `.fastq` files in your results directory if you supply ` --save_complexityfiltered_reads` .
 
-Note that the `.fastq` file(s) may _not_ always be the 'final' reads that go into taxprofiling, if you also run other steps such as host removal, run merging etc..
+> ⚠️ The resulting `.fastq` files may _not_ always be the 'final' reads that go into taxprofiling, if you also run other steps such as host removal, run merging etc..
 
 ### Filtlong
 
@@ -161,15 +169,15 @@ Note that the `.fastq` file(s) may _not_ always be the 'final' reads that go int
 
 </details>
 
-You can use the filtered `.fastq` for other downstream analyses to reduce repeated preprocessing of files.
+You will only find the `.fastq` files in the results directory if you provide ` --save_preprocessed_reads`. 
 
-We do **not** recommend using Filtlong if you are performing filtering of low quality reads with ONT's basecaller Guppy.
+> ⚠️  We do **not** recommend using Filtlong if you are performing filtering of low quality reads with ONT's basecaller Guppy.
 
 ### Bowtie2
 
 [Bowtie 2](https://bowtie-bio.sourceforge.net/bowtie2/index.shtml) is an ultrafast and memory-efficient tool for aligning sequencing reads to long reference sequences. It is particularly good at aligning reads of about 50 up to 100s or 1,000s of characters, and particularly good at aligning to relatively long (e.g. mammalian) genomes.
 
-It is used with nf-core/taxprofiler to allow removal of 'host' (e.g. human) or other possible contaminant reads (e.g. Phi X) from short-read `.fastq` files prior to profiling.
+It is used with nf-core/taxprofiler to allow removal of 'host' (e.g. human) and/or other possible contaminant reads (e.g. Phi X) from short-read `.fastq` files prior to profiling.
 
 <details markdown="1">
 <summary>Output files</summary>
@@ -183,7 +191,9 @@ It is used with nf-core/taxprofiler to allow removal of 'host' (e.g. human) or o
 
 By default nf-core/taxprofiler will only provide the `.log` file if host removal is turned on. You will only see the mapped (host) reads `.bam` file or the off-target reads in `.fastq` format in your results directory if you provide `--save_hostremoval_mapped` and ` --save_hostremoval_unmapped` respectively.
 
-Note that the `.fastq` file(s) may _not_ always be the 'final' reads that go into taxonomic classification, if you also run other steps such as host removal, run merging etc.. Furthermore, while there is a dedicated section in the MultiQC HTML for Bowtie2, these values are not displayed by default in the General Stats table. Rather, alignment statistics to host genome is reported via samtools stats module in MultiQC report for direct comparison with minimap2 (see below).
+> ⚠️ The resulting `.fastq` files may _not_ always be the 'final' reads that go into taxprofiling, if you also run other steps such as run merging etc..
+
+> ℹ️ While there is a dedicated section in the MultiQC HTML for Bowtie2, these values are not displayed by default in the General Stats table. Rather, alignment statistics to host genome is reported via samtools stats module in MultiQC report for direct comparison with minimap2 (see below).
 
 ### minimap2
 
@@ -199,8 +209,9 @@ It is used with nf-core/taxprofiler to allow removal of 'host' (e.g. human) or o
 
 </details>
 
-By default, nf-core taxprofiler will only provide the `.bam` file if host removal for long reads is turned on.
-Note: minimap2 is not yet supported as a module in MultiQC and therefore there is no dedicated section in the MultiQC HTML. Rather, alignment statistics to host genome is reported via samtools stats module in MultiQC report.
+By default, nf-core taxprofiler will only provide the `.bam` file if host removal for long reads is turned on (i.e., `--save_hostremoval_mapped` and ` --save_hostremoval_unmapped`).
+
+> ℹ️ minimap2 is not yet supported as a module in MultiQC and therefore there is no dedicated section in the MultiQC HTML. Rather, alignment statistics to host genome is reported via samtools stats module in MultiQC report.
 
 ### Samtools stats
 
@@ -273,10 +284,10 @@ You will only receive the `.fastq` and `*classifiedreads.txt` file if you supply
 
 The main taxonomic classification file from KrakenUniq is the `*report.txt` file. This is an extension of the Kraken2 report with the additional k-mer coverage information that provides more information about the accuracy of hits.
 
-> ⚠️ The output system of KrakenUniq can result in other `stdout` or `stderr` logging information being saved in the report file, therefore you must check your report files before downstream use!
-
 You will only receive the `.fastq` and `*classifiedreads.txt` file if you supply `--krakenuniq_save_reads` and/or `--krakenuniq_save_readclassification` parameters to the pipeline.
 
+> ⚠️ The output system of KrakenUniq can result in other `stdout` or `stderr` logging information being saved in the report file, therefore you must check your report files before downstream use!
+
 ### Centrifuge
 
 [Centrifuge](https://github.com/DaehwanKimLab/centrifuge) is a taxonomic sequence classifier that uses a Burrows-Wheeler transform and Ferragina-Manzina index for storing and mapping sequences.
@@ -323,7 +334,9 @@ The most summary file is the `*combined_reports.txt` file which summarises resul
 
 </details>
 
-By default you will receive a TSV output. Alternatively, you will receive a `*.sam` file if you provide the parameter `--diamond_save_reads` but in this case no taxonomic classification will be available(!), only the aligned reads in sam format. Note that DIAMOND has many output formats, so depending on your [choice](https://github.com/bbuchfink/diamond/wiki/3.-Command-line-options) with ` --diamond_output_format` you will receive the taxonomic information in a different format.
+By default you will receive a TSV output. Alternatively, you will receive a `*.sam` file if you provide the parameter `--diamond_save_reads` but in this case no taxonomic classification will be available(!), only the aligned reads in sam format. 
+
+> ℹ️ DIAMOND has many output formats, so depending on your [choice](https://github.com/bbuchfink/diamond/wiki/3.-Command-line-options) with ` --diamond_output_format` you will receive the taxonomic information in a different format.
 
 ### MALT
 
@@ -412,7 +425,9 @@ The resulting HTML files can be loaded into your web browser for exploration. Ea
 
 Results generated by MultiQC collate pipeline QC from supported tools e.g. FastQC. The pipeline has special steps which also allow the software versions to be reported in the MultiQC output for future traceability. For more information about how to use MultiQC reports, see <http://multiqc.info>.
 
-All tools in taxprofiler supported by MultiQC will have a dedicated section showing summary statistics of each tool based on information stored in log files. Note that the 'General Stats' table by default will only show statistics referring to pre-processing steps, and will not display possible values from each classifier/profiler, unless turned on by the user within the 'Configure Columns' menu or via a custom MultiQC config file (`--multiqc_config`)
+All tools in taxprofiler supported by MultiQC will have a dedicated section showing summary statistics of each tool based on information stored in log files. 
+
+> ℹ️ The 'General Stats' table by default will only show statistics referring to pre-processing steps, and will not display possible values from each classifier/profiler, unless turned on by the user within the 'Configure Columns' menu or via a custom MultiQC config file (`--multiqc_config`)
 
 ### Pipeline information
 

From 01fca90496cb9fd460001884d6f608d32703a849 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 31 Jan 2023 11:08:46 +0100
Subject: [PATCH 635/789] Tweak MultiQC config [skip ci]

---
 assets/multiqc_config.yml | 7 ++++---
 1 file changed, 4 insertions(+), 3 deletions(-)

diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml
index 2e38968..71b56fd 100644
--- a/assets/multiqc_config.yml
+++ b/assets/multiqc_config.yml
@@ -56,7 +56,8 @@ top_modules:
         - "*_raw_falco_*_report.html"
   - "fastp"
   - "adapterRemoval"
-  - "porechop"
+  - "porechop":
+      extra: "ℹ️: if you get the error message 'Error - was not able to plot data.' this means that porechop did not detect any adapters and therefore no statistics generated."
   - "fastqc":
       name: "FastQC (post-Trimming)"
       path_filters:
@@ -82,7 +83,7 @@ top_modules:
       target: "Bracken"
       doi: "10.7717/peerj-cs.104"
       info: "Estimates species abundances in metagenomics samples by probabilistically re-distributing reads in the taxonomic tree."
-      extra: "Note: plot title will say Kraken2 due to the first step of bracken producing the same output format as Kraken. Abundance information is currently not supported in MultiQC."
+      extra: "ℹ️: plot title will say Kraken2 due to the first step of bracken producing the same output format as Kraken. Abundance information is currently not supported in MultiQC."
       path_filters:
         - "*.bracken.kraken2.report.txt"
   - "kraken":
@@ -91,7 +92,7 @@ top_modules:
       target: "Centrifuge"
       doi: "10.1101/gr.210641.116"
       info: "is a very rapid and memory-efficient system for the classification of DNA sequences from microbial samples. The system uses a novel indexing scheme based on the Burrows-Wheeler transform (BWT) and the Ferragina-Manzini (FM) index. Note: Figure title"
-      extra: "Note: plot title will say Kraken2 due to Centrifuge producing the same output format as Kraken. If activated, see the actual Kraken2 results in the section above."
+      extra: "ℹ️: plot title will say Kraken2 due to Centrifuge producing the same output format as Kraken. If activated, see the actual Kraken2 results in the section above."
       path_filters:
         - "*.centrifuge.txt"
   - "malt":

From 225773000f82f23053b72ca523c9b7aeecf261e8 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 31 Jan 2023 12:00:48 +0100
Subject: [PATCH 636/789] Fix channel structure when supplying own host bt2
 index

---
 workflows/taxprofiler.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 7a09573..12a41f3 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -38,7 +38,7 @@ if (params.perform_shortread_hostremoval && !params.hostremoval_reference) { exi
 if (!params.hostremoval_reference && params.hostremoval_reference_index) { exit 1, "ERROR: [nf-core/taxprofiler] --shortread_hostremoval_index provided but no --hostremoval_reference FASTA supplied. Check input." }
 
 if (params.hostremoval_reference           ) { ch_reference = file(params.hostremoval_reference) }
-if (params.shortread_hostremoval_index     ) { ch_shortread_reference_index = file(params.shortread_hostremoval_index    ) } else { ch_shortread_reference_index = [] }
+if (params.shortread_hostremoval_index     ) { ch_shortread_reference_index = Channel.fromPath(params.shortread_hostremoval_index).map{[[], it]} } else { ch_shortread_reference_index = [] }
 if (params.longread_hostremoval_index      ) { ch_longread_reference_index  = file(params.longread_hostremoval_index     ) } else { ch_longread_reference_index  = [] }
 
 if (params.diamond_save_reads              ) log.warn "[nf-core/taxprofiler] DIAMOND only allows output of a single format. As --diamond_save_reads supplied, only aligned reads in SAM format will be produced, no taxonomic profiles will be available."

From 52907dcc26e9bd8679965f8758cc54cb8f6727d6 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 31 Jan 2023 13:07:07 +0100
Subject: [PATCH 637/789] Prettier

---
 docs/output.md | 16 ++++++++--------
 1 file changed, 8 insertions(+), 8 deletions(-)

diff --git a/docs/output.md b/docs/output.md
index 8ab12c0..9ac5176 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -71,7 +71,7 @@ It is used in nf-core/taxprofiler for adapter trimming of short-reads.
 
 </details>
 
-By default nf-core/taxprofiler will only provide the `<sample_id>.fastp.fastq.gz` file if fastp is selected. The file `<sample_id>.merged.fastq.gz` will be available in the output folder if you provide the argument ` --shortread_qc_mergepairs` (optionally retaining un-merged pairs when in combination with `--shortread_qc_includeunmerged`). 
+By default nf-core/taxprofiler will only provide the `<sample_id>.fastp.fastq.gz` file if fastp is selected. The file `<sample_id>.merged.fastq.gz` will be available in the output folder if you provide the argument ` --shortread_qc_mergepairs` (optionally retaining un-merged pairs when in combination with `--shortread_qc_includeunmerged`).
 
 You can change the default value for low complexity filtering by using the argument `--shortread_complexityfilter_fastp_threshold`.
 
@@ -93,7 +93,7 @@ You can change the default value for low complexity filtering by using the argum
 
 </details>
 
-By default nf-core/taxprofiler will only provide the `.settings` file if AdapterRemoval is selected. 
+By default nf-core/taxprofiler will only provide the `.settings` file if AdapterRemoval is selected.
 
 You will only find the `.fastq` files in the results directory if you provide ` --save_preprocessed_reads`. If this is selected, you may receive different combinations of `.fastq` files for each sample depending on the input types - e.g. whether you have merged or not, or if you're supplying both single- and paired-end reads.
 
@@ -112,9 +112,9 @@ You will only find the `.fastq` files in the results directory if you provide `
 
 </details>
 
-The output logs are saved in the output folder and are part of MultiQC report.You do not normally need to check these manually. 
+The output logs are saved in the output folder and are part of MultiQC report.You do not normally need to check these manually.
 
-You will only find the `.fastq` files in the results directory if you provide ` --save_preprocessed_reads`. 
+You will only find the `.fastq` files in the results directory if you provide ` --save_preprocessed_reads`.
 
 > ⚠️ We do **not** recommend using Porechop if you are already trimming the adapters with ONT's basecaller Guppy.
 
@@ -169,9 +169,9 @@ By default nf-core/taxprofiler will only provide the `.log` file if PRINSEQ++ is
 
 </details>
 
-You will only find the `.fastq` files in the results directory if you provide ` --save_preprocessed_reads`. 
+You will only find the `.fastq` files in the results directory if you provide ` --save_preprocessed_reads`.
 
-> ⚠️  We do **not** recommend using Filtlong if you are performing filtering of low quality reads with ONT's basecaller Guppy.
+> ⚠️ We do **not** recommend using Filtlong if you are performing filtering of low quality reads with ONT's basecaller Guppy.
 
 ### Bowtie2
 
@@ -334,7 +334,7 @@ The most summary file is the `*combined_reports.txt` file which summarises resul
 
 </details>
 
-By default you will receive a TSV output. Alternatively, you will receive a `*.sam` file if you provide the parameter `--diamond_save_reads` but in this case no taxonomic classification will be available(!), only the aligned reads in sam format. 
+By default you will receive a TSV output. Alternatively, you will receive a `*.sam` file if you provide the parameter `--diamond_save_reads` but in this case no taxonomic classification will be available(!), only the aligned reads in sam format.
 
 > ℹ️ DIAMOND has many output formats, so depending on your [choice](https://github.com/bbuchfink/diamond/wiki/3.-Command-line-options) with ` --diamond_output_format` you will receive the taxonomic information in a different format.
 
@@ -425,7 +425,7 @@ The resulting HTML files can be loaded into your web browser for exploration. Ea
 
 Results generated by MultiQC collate pipeline QC from supported tools e.g. FastQC. The pipeline has special steps which also allow the software versions to be reported in the MultiQC output for future traceability. For more information about how to use MultiQC reports, see <http://multiqc.info>.
 
-All tools in taxprofiler supported by MultiQC will have a dedicated section showing summary statistics of each tool based on information stored in log files. 
+All tools in taxprofiler supported by MultiQC will have a dedicated section showing summary statistics of each tool based on information stored in log files.
 
 > ℹ️ The 'General Stats' table by default will only show statistics referring to pre-processing steps, and will not display possible values from each classifier/profiler, unless turned on by the user within the 'Configure Columns' menu or via a custom MultiQC config file (`--multiqc_config`)
 

From 932dc12fb181a083526e7a562856d2f669cb6b7b Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 31 Jan 2023 13:09:53 +0100
Subject: [PATCH 638/789] Add list of expected tools in MultiQC report [skip
 ci]

---
 docs/output.md | 21 +++++++++++++++++++++
 1 file changed, 21 insertions(+)

diff --git a/docs/output.md b/docs/output.md
index 9ac5176..b60171e 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -427,6 +427,27 @@ Results generated by MultiQC collate pipeline QC from supported tools e.g. FastQ
 
 All tools in taxprofiler supported by MultiQC will have a dedicated section showing summary statistics of each tool based on information stored in log files.
 
+You can expect in the MultiQC reports either sections and/or general stats columns for the following tools:
+
+- fastqc
+- adapterRemoval
+- fastp
+- bbduk
+- prinseqplusplus
+- porechop
+- filtlong
+- bowtie2
+- minimap2
+- samtools (stats)
+- kraken
+- bracken
+- centrifuge
+- kaiju
+- metaphlan
+- diamond
+- malt
+- motus
+
 > ℹ️ The 'General Stats' table by default will only show statistics referring to pre-processing steps, and will not display possible values from each classifier/profiler, unless turned on by the user within the 'Configure Columns' menu or via a custom MultiQC config file (`--multiqc_config`)
 
 ### Pipeline information

From c4e366d47dd4ded53248611e61f86155c6860261 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Thu, 2 Feb 2023 11:59:26 +0100
Subject: [PATCH 639/789] Add full test data and documentation of the test data

---
 CITATIONS.md          | 10 +++++++
 README.md             |  6 ++---
 conf/test_full.config | 62 +++++++++++++++++++++++++++++++++++++------
 3 files changed, 66 insertions(+), 12 deletions(-)

diff --git a/CITATIONS.md b/CITATIONS.md
index daf9022..825a2f9 100644
--- a/CITATIONS.md
+++ b/CITATIONS.md
@@ -92,3 +92,13 @@
 
 - [Singularity](https://pubmed.ncbi.nlm.nih.gov/28494014/)
   > Kurtzer GM, Sochat V, Bauer MW. Singularity: Scientific containers for mobility of compute. PLoS One. 2017 May 11;12(5):e0177459. doi: 10.1371/journal.pone.0177459. eCollection 2017. PubMed PMID: 28494014; PubMed Central PMCID: PMC5426675.
+
+## Data
+
+- [Maixner (2021)](https://doi.org/10.1016/j.cub.2021.09.031) (CI Test Data)
+
+  > Maixner, Frank, Mohamed S. Sarhan, Kun D. Huang, Adrian Tett, Alexander Schoenafinger, Stefania Zingale, Aitor Blanco-Míguez, et al. 2021. “Hallstatt Miners Consumed Blue Cheese and Beer during the Iron Age and Retained a Non-Westernized Gut Microbiome until the Baroque Period.” Current Biology: CB 31 (23): 5149–62.e6. doi: 10.1016/j.cub.2021.09.031.
+
+- [Meslier (2022)](https://doi.org/10.1038/s41597-022-01762-z) (AWS Full Test data)
+
+  > Meslier, Victoria, Benoit Quinquis, Kévin Da Silva, Florian Plaza Oñate, Nicolas Pons, Hugo Roume, Mircea Podar, and Mathieu Almeida. 2022. “Benchmarking Second and Third-Generation Sequencing Platforms for Microbial Metagenomics.” Scientific Data 9 (1): 694. doi: 10.1038/s41597-022-01762-z.
\ No newline at end of file
diff --git a/README.md b/README.md
index 080a75b..9c38e9b 100644
--- a/README.md
+++ b/README.md
@@ -14,16 +14,14 @@
 
 > ⚠️ This pipeline is still under development! While the pipeline is usable, not all functionality will be available!
 
-<!-- TODO nf-core: Write a 1-2 sentence summary of what data the pipeline is for and what it does -->
-
 **nf-core/taxprofiler** is a bioinformatics best-practice analysis pipeline for taxonomic classification and profiling of shotgun metagenomic data. It allows for in-parallel taxonomic identification of reads or taxonomic abundance estimation with multiple classification and profiling tools against multiple databases, produces standardised output tables.
 
 The pipeline is built using [Nextflow](https://www.nextflow.io), a workflow tool to run tasks across multiple compute infrastructures in a very portable manner. It uses Docker/Singularity containers making installation trivial and results highly reproducible. The [Nextflow DSL2](https://www.nextflow.io/docs/latest/dsl2.html) implementation of this pipeline uses one container per process which makes it much easier to maintain and update software dependencies. Where possible, these processes have been submitted to and installed from [nf-core/modules](https://github.com/nf-core/modules) in order to make them available to all nf-core pipelines, and to everyone within the Nextflow community!
 
-<!-- TODO nf-core: Add full-sized test dataset and amend the paragraph below if applicable -->
-
 On release, automated continuous integration tests run the pipeline on a full-sized dataset on the AWS cloud infrastructure. This ensures that the pipeline runs on AWS, has sensible resource allocation defaults set to run on real-world datasets, and permits the persistent storage of results to benchmark between pipeline releases and other analysis sources.The results obtained from the full-sized test can be viewed on the [nf-core website](https://nf-co.re/taxprofiler/results).
 
+The nf-core/taxprofiler CI test dataset uses sequencing data from [Maixer et al. (2021) Curr. Bio.](https://doi.org/10.1016/j.cub.2021.09.031). The AWS full test dataset uses sequencing data and reference genomes from [Meslier (2022) _Sci. Data_](https://doi.org/10.1038/s41597-022-01762-z)
+
 ## Pipeline summary
 
 <!-- TODO nf-core: Fill in short bullet-pointed list of the default steps in the pipeline -->
diff --git a/conf/test_full.config b/conf/test_full.config
index 49a10a0..cf8d873 100644
--- a/conf/test_full.config
+++ b/conf/test_full.config
@@ -1,12 +1,10 @@
 /*
-~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
     Nextflow config file for running full-size tests
-~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
     Defines input files and everything required to run a full size pipeline test.
-
     Use as follows:
         nextflow run nf-core/taxprofiler -profile test_full,<docker/singularity> --outdir <OUTDIR>
-
 ----------------------------------------------------------------------------------------
 */
 
@@ -15,10 +13,58 @@ params {
     config_profile_description = 'Full test dataset to check pipeline function'
 
     // Input data for full size test
-    // TODO nf-core: Specify the paths to your full test data ( on nf-core/test-datasets or directly in repositories, e.g. SRA)
-    // TODO nf-core: Give any required params for the test so that command line flags are not needed
-    input = 'https://raw.githubusercontent.com/nf-core/test-datasets/viralrecon/samplesheet/samplesheet_full_illumina_amplicon.csv'
+    input     = 'https://github.com/nf-core/test-datasets/raw/taxprofiler/samplesheet_full.csv'
+    databases = 'https://github.com/nf-core/test-datasets/raw/taxprofiler/database_full.csv'
 
     // Genome references
-    genome = 'R64-1-1'
+    hostremoval_reference = 'ftp://ftp.ncbi.nlm.nih.gov/genomes/all/GCA/000/819/615/GCA_000819615.1_ViralProj14015/GCA_000819615.1_ViralProj14015_genomic.fna.gz'
+
+    save_preprocessed_reads = true
+     
+    perform_shortread_qc = true
+    shortread_qc_mergepairs = true
+    perform_shortread_complexityfilter = true
+    save_complexityfiltered_reads = true
+     
+    perform_longread_qc = true
+    perform_shortread_hostremoval = true
+    perform_longread_hostremoval = true
+    save_hostremoval_index = true
+    save_hostremoval_mapped = true
+    save_hostremoval_unmapped = true
+
+    perform_runmerging = true
+    save_runmerged_reads = true
+
+    run_centrifuge = true
+    centrifuge_save_reads = true
+
+    run_diamond = true
+
+    run_kaiju = true
+
+    run_kraken2 = true
+    kraken2_save_reads = true
+    kraken2_save_readclassification = true
+    kraken2_save_minimizers  = true 
+    
+    run_krakenuniq = true   
+    krakenuniq_save_reads = true
+    krakenuniq_save_readclassifications = true
+
+    run_bracken = true
+    
+    run_malt = true
+    malt_save_reads = true
+    malt_generate_megansummary = true
+
+    run_metaphlan3 = true
+    
+    run_motus = true
+    motus_save_mgc_read_counts = true
+
+    run_profile_standardisation = true
+    run_krona = true
 }
+
+cleanup = true
\ No newline at end of file

From 7ce55a99e813d1890cf9b28a3b620433eba45ead Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 2 Feb 2023 13:08:16 +0100
Subject: [PATCH 640/789] Fix linting

---
 CITATIONS.md             |  2 +-
 bin/check_samplesheet.py |  2 --
 conf/test_full.config    | 16 ++++++++--------
 3 files changed, 9 insertions(+), 11 deletions(-)

diff --git a/CITATIONS.md b/CITATIONS.md
index 825a2f9..2f75fdb 100644
--- a/CITATIONS.md
+++ b/CITATIONS.md
@@ -101,4 +101,4 @@
 
 - [Meslier (2022)](https://doi.org/10.1038/s41597-022-01762-z) (AWS Full Test data)
 
-  > Meslier, Victoria, Benoit Quinquis, Kévin Da Silva, Florian Plaza Oñate, Nicolas Pons, Hugo Roume, Mircea Podar, and Mathieu Almeida. 2022. “Benchmarking Second and Third-Generation Sequencing Platforms for Microbial Metagenomics.” Scientific Data 9 (1): 694. doi: 10.1038/s41597-022-01762-z.
\ No newline at end of file
+  > Meslier, Victoria, Benoit Quinquis, Kévin Da Silva, Florian Plaza Oñate, Nicolas Pons, Hugo Roume, Mircea Podar, and Mathieu Almeida. 2022. “Benchmarking Second and Third-Generation Sequencing Platforms for Microbial Metagenomics.” Scientific Data 9 (1): 694. doi: 10.1038/s41597-022-01762-z.
diff --git a/bin/check_samplesheet.py b/bin/check_samplesheet.py
index f5b0e6a..9f0f7a6 100755
--- a/bin/check_samplesheet.py
+++ b/bin/check_samplesheet.py
@@ -71,7 +71,6 @@ def check_samplesheet(file_in, file_out):
 
     sample_mapping_dict = {}
     with open(file_in, "r") as fin:
-
         ## Check header
         MIN_COLS = 4
         HEADER = [
@@ -101,7 +100,6 @@ def check_samplesheet(file_in, file_out):
 
         ## Check sample entries
         for line in fin:
-
             ## Pull out only relevant columns for downstream checking
             line_parsed = [x.strip().strip('"') for x in line.strip().split(",")]
 
diff --git a/conf/test_full.config b/conf/test_full.config
index cf8d873..07099d0 100644
--- a/conf/test_full.config
+++ b/conf/test_full.config
@@ -20,12 +20,12 @@ params {
     hostremoval_reference = 'ftp://ftp.ncbi.nlm.nih.gov/genomes/all/GCA/000/819/615/GCA_000819615.1_ViralProj14015/GCA_000819615.1_ViralProj14015_genomic.fna.gz'
 
     save_preprocessed_reads = true
-     
+
     perform_shortread_qc = true
     shortread_qc_mergepairs = true
     perform_shortread_complexityfilter = true
     save_complexityfiltered_reads = true
-     
+
     perform_longread_qc = true
     perform_shortread_hostremoval = true
     perform_longread_hostremoval = true
@@ -46,20 +46,20 @@ params {
     run_kraken2 = true
     kraken2_save_reads = true
     kraken2_save_readclassification = true
-    kraken2_save_minimizers  = true 
-    
-    run_krakenuniq = true   
+    kraken2_save_minimizers  = true
+
+    run_krakenuniq = true
     krakenuniq_save_reads = true
     krakenuniq_save_readclassifications = true
 
     run_bracken = true
-    
+
     run_malt = true
     malt_save_reads = true
     malt_generate_megansummary = true
 
     run_metaphlan3 = true
-    
+
     run_motus = true
     motus_save_mgc_read_counts = true
 
@@ -67,4 +67,4 @@ params {
     run_krona = true
 }
 
-cleanup = true
\ No newline at end of file
+cleanup = true

From 5363274867c0bc66c6f727c188ddd021c437f104 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Thu, 2 Feb 2023 13:58:48 +0100
Subject: [PATCH 641/789] Add some last documentation

---
 conf/modules.config | 12 ++++++------
 docs/output.md      | 43 ++++++++++++++++++++++++++++++++++++-------
 docs/usage.md       | 13 ++++++++++++-
 3 files changed, 54 insertions(+), 14 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 11c0980..cae5a45 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -18,7 +18,7 @@ process {
         publishDir = [
             path: { "${params.outdir}/fastqc/raw" },
             mode: params.publish_dir_mode,
-            pattern: '*.html'
+            pattern: '*.{html,zip}'
         ]
     }
 
@@ -28,7 +28,7 @@ process {
         publishDir = [
             path: { "${params.outdir}/fastqc/processed" },
             mode: params.publish_dir_mode,
-            pattern: '*.html'
+            pattern: '*.{html,zip}'
         ]
     }
 
@@ -37,7 +37,7 @@ process {
         publishDir = [
             path: { "${params.outdir}/falco/raw" },
             mode: params.publish_dir_mode,
-            pattern: '*.{html,txt}'
+            pattern: '*.{html,txt,zip}'
         ]
     }
 
@@ -46,7 +46,7 @@ process {
         publishDir = [
             path: { "${params.outdir}/falco/processed" },
             mode: params.publish_dir_mode,
-            pattern: '*.{html,txt}'
+            pattern: '*.{html,txt,zip}'
         ]
     }
 
@@ -354,7 +354,7 @@ process {
         publishDir = [
             path: { "${params.outdir}/kraken2/${meta.db_name}/" },
             mode: params.publish_dir_mode,
-            pattern: '*.{txt,report,fastq.gz}'
+            pattern: '*.{txt,fastq.gz}'
         ]
     }
 
@@ -393,7 +393,7 @@ process {
         publishDir = [
             path: { "${params.outdir}/krakenuniq/${meta.db_name}/" },
             mode: params.publish_dir_mode,
-            pattern: '*.{txt,report,fastq.gz}'
+            pattern: '*.{txt,fastq.gz}'
         ]
     }
 
diff --git a/docs/output.md b/docs/output.md
index b60171e..f2e1445 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -13,7 +13,7 @@ The directories listed below will be created in the results directory after the
 The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes data using the following steps:
 
 - [FastQC](#fastqc) - Raw read QC
-- [falco](#falco) - Alternative to FastQC for raw read QC
+- [falco](#fastqc) - Alternative to FastQC for raw read QC
 - [fastp](#fastp) - Adapter trimming for Illumina data
 - [AdapterRemoval](#adapterremoval) - Adapter trimming for Illumina data
 - [Porechop](#porechop) - Adapter removal for Oxford Nanopore data
@@ -22,7 +22,9 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d
 - [Filtlong](#filtlong) - Quality trimming and filtering for Nanopore data
 - [Bowtie2](#bowtie2) - Host removal for Illumina reads
 - [minimap2](#minimap2) - Host removal for Nanopore reads
-- [samtoolsstats](#samtoolsstats) - Statistics from host removal
+- [SAMtools stats](#samtoolsstats) - Statistics from host removal
+- [SAMtools view](#samtoolsview) - Views and converts the alignment file
+- [SAMtools bam2fq](#samtoolsbam2fq) - Converts the alignment file in fastq format
 - [Bracken](#bracken) - Taxonomic classifier using k-mers and abundance estimations
 - [Kraken2](#kraken2) - Taxonomic classifier using exact k-mer matches
 - [KrakenUniq](#krakenuniq) - Taxonomic classifier that combines the k-mer-based classification and the number of unique k-mers found in each species
@@ -35,7 +37,7 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d
 - [MultiQC](#multiqc) - Aggregate report describing results and QC from the whole pipeline
 - [Pipeline information](#pipeline-information) - Report metrics generated during the workflow execution
 
-### FastQC
+### FastQC or falco
 
 <details markdown="1">
 <summary>Output files</summary>
@@ -48,6 +50,8 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d
 
 [FastQC](http://www.bioinformatics.babraham.ac.uk/projects/fastqc/) gives general quality metrics about your sequenced reads. It provides information about the quality score distribution across your reads, per base sequence content (%A/T/G/C), adapter contamination and overrepresented sequences. For further reading and documentation see the [FastQC help pages](http://www.bioinformatics.babraham.ac.uk/projects/fastqc/Help/).
 
+> ℹ️ Falco produces identical output to FastQC but in the `falco/` directory.
+
 ![MultiQC - FastQC sequence counts plot](images/mqc_fastqc_counts.png)
 
 ![MultiQC - FastQC mean quality scores plot](images/mqc_fastqc_quality.png)
@@ -68,6 +72,7 @@ It is used in nf-core/taxprofiler for adapter trimming of short-reads.
 - `fastp`
   - `<sample_id>.fastp.fastq.gz`: File with the trimmed unmerged fastq reads.
   - `<sample_id>.merged.fastq.gz`: File with the reads that were successfully merged.
+  - `<sample_id>.*{log,html,json}`: Log files in different formats.
 
 </details>
 
@@ -213,15 +218,39 @@ By default, nf-core taxprofiler will only provide the `.bam` file if host remova
 
 > ℹ️ minimap2 is not yet supported as a module in MultiQC and therefore there is no dedicated section in the MultiQC HTML. Rather, alignment statistics to host genome is reported via samtools stats module in MultiQC report.
 
-### Samtools stats
+### SAMtools view
+
+[SAMtools view](http://www.htslib.org/doc/samtools-view.html) views and comverts a `.sam`, `.bam`, or `.cram` alignment file.
+
+<details markdown="1">
+<summary>Output files</summary>
+
+- `samtoolsstats`
+  - `<sample_id>.bam`: Alignment file in BAM format
+
+</details>
+
+### SAMtools bam2fq
+
+[SAMtools bam2fq](http://www.htslib.org/doc/1.1/samtools.html) converts a `.sam`, `.bam`, or `.cram` alignment file to FASTQ format
+
+<details markdown="1">
+<summary>Output files</summary>
+
+- `samtoolsstats`
+  - `<sample_id>.fq.zg`: Alignment file in FASTQ gzip format.
+
+</details>
+
+### SAMtools stats
 
-[Samtools stats](http://www.htslib.org/doc/samtools-stats.html) collects statistics from a `.sam`, `.bam`, or `.cram` alignment file and outputs in a text format.
+[SAMtools stats](http://www.htslib.org/doc/samtools-stats.html) collects statistics from a `.sam`, `.bam`, or `.cram` alignment file and outputs in a text format.
 
 <details markdown="1">
 <summary>Output files</summary>
 
 - `samtoolsstats`
-  - `<sample_id>.stats`: File containing samtools stats output
+  - `<sample_id>.stats`: File containing samtools stats output.
 
 </details>
 
@@ -330,7 +359,7 @@ The most summary file is the `*combined_reports.txt` file which summarises resul
 
 - `diamond`
   - `<sample_id>.log`: A log file containing stdout information
-  - `<sample_id>.sam`: A file in SAM format that contains the aligned reads
+  - `<sample_id>*.{blast,xml,txt,daa,sam,tsv,paf,log}`: A file containing alignment information in various formats, or taxonomic information in a text-based format. Exact output depends on user choice.
 
 </details>
 
diff --git a/docs/usage.md b/docs/usage.md
index c765c68..9aa83a5 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -606,7 +606,18 @@ A detailed description can be found [here](https://github.com/bbuchfink/diamond/
 
 #### Kaiju custom database
 
-To build a kaiju database, you need two components: a FASTA file with the protein sequences (the headers are the numeric NCBI taxon identifiers of the protein sequences), and you need to define the uppercase characters of the standard 20 amino acids you wish to include.
+To build a kaiju database, you need three components: a FASTA file with the protein sequences ,the NCBI taxonomy dump files, and you need to define the uppercase characters of the standard 20 amino acids you wish to include.
+
+> ⚠️ The headers of the protein fasta file must be numeric NCBI taxon identifiers of the protein sequences.
+
+To download the NCBI taxonomy files, please run the following commands:
+
+```bash
+wget https://ftp.ncbi.nlm.nih.gov/pub/taxonomy/new_taxdump/new_taxdump.zip
+unzip new_taxdump.zip
+```
+
+To build the database, run the following command (the contents of taxdump must be in the same location where you run the command):
 
 ```bash
 kaiju-mkbwt -a ACDEFGHIKLMNPQRSTVWY -o proteins proteins.faa

From 11a8624b3964a6061bdafeff384afe48a410207c Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Fri, 3 Feb 2023 09:42:20 +0100
Subject: [PATCH 642/789] Add warning about database parameters [skip ci]

---
 docs/usage.md | 6 +++++-
 1 file changed, 5 insertions(+), 1 deletion(-)

diff --git a/docs/usage.md b/docs/usage.md
index c765c68..95914f1 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -80,11 +80,15 @@ An [example samplesheet](../assets/samplesheet.csv) has been provided with the p
 ### Full database sheet
 
 nf-core/taxprofiler supports multiple databases being classified/profiled against in parallel for each tool.
+
 Databases can be supplied either in the form of a compressed `.tar.gz` archive of a directory containing all relevant database files or the path to a directory on the filesystem.
-The pipeline takes the paths and specific classification/profiling parameters of the tool of these databases as input via a four column comma-separated sheet.
 
 > ⚠️ nf-core/taxprofiler does not provide any databases by default, nor does it currently generate them for you. This must be performed manually by the user. See below for more information of the expected database files.
 
+The pipeline takes the paths and specific classification/profiling parameters of the tool of these databases as input via a four column comma-separated sheet.
+
+> ⚠️ To allow user freedom, nf-core/taxprofiler does not check for mandatory or the validity of non-file database parameters for correct execution of the tool - excluding options offered via pipeline level parameters! Please validate your database parameters (cross-referencing [parameters](https://nf-co.re/taxprofiler/parameters) before submitting the database sheet!
+
 An example database sheet can look as follows, where 5 tools are being used, and `malt` and `kraken2` will be used against two databases each. This is because specifying `bracken` implies first running `kraken2` on the same database.
 
 ```console

From b4f88a29ce733212f009afa8f6c40fd4f3e67ad6 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Fri, 3 Feb 2023 09:46:01 +0100
Subject: [PATCH 643/789] Update docs/usage.md [skip ci]

---
 docs/usage.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/usage.md b/docs/usage.md
index 95914f1..588f039 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -87,7 +87,7 @@ Databases can be supplied either in the form of a compressed `.tar.gz` archive o
 
 The pipeline takes the paths and specific classification/profiling parameters of the tool of these databases as input via a four column comma-separated sheet.
 
-> ⚠️ To allow user freedom, nf-core/taxprofiler does not check for mandatory or the validity of non-file database parameters for correct execution of the tool - excluding options offered via pipeline level parameters! Please validate your database parameters (cross-referencing [parameters](https://nf-co.re/taxprofiler/parameters) before submitting the database sheet!
+> ⚠️ To allow user freedom, nf-core/taxprofiler does not check for mandatory or the validity of non-file database parameters for correct execution of the tool - excluding options offered via pipeline level parameters! Please validate your database parameters (cross-referencing [parameters](https://nf-co.re/taxprofiler/parameters, and the given tool documentation) before submitting the database sheet! For example, if you don't use the default read length - Bracken will require `-r <read_length>` in the `db_params` column.
 
 An example database sheet can look as follows, where 5 tools are being used, and `malt` and `kraken2` will be used against two databases each. This is because specifying `bracken` implies first running `kraken2` on the same database.
 

From 3e2b1811825d803edd3d6f3eaa7e237ec8dbfac2 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Fri, 3 Feb 2023 15:42:45 +0100
Subject: [PATCH 644/789] Apply review suggestions

---
 docs/output.md       | 27 ++++++++-------------------
 nextflow_schema.json |  4 ++--
 2 files changed, 10 insertions(+), 21 deletions(-)

diff --git a/docs/output.md b/docs/output.md
index f2e1445..e1df0b9 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -23,8 +23,7 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d
 - [Bowtie2](#bowtie2) - Host removal for Illumina reads
 - [minimap2](#minimap2) - Host removal for Nanopore reads
 - [SAMtools stats](#samtoolsstats) - Statistics from host removal
-- [SAMtools view](#samtoolsview) - Views and converts the alignment file
-- [SAMtools bam2fq](#samtoolsbam2fq) - Converts the alignment file in fastq format
+- [SAMtools fastq](#samtoolsfastq) - Converts the alignment file in fastq format
 - [Bracken](#bracken) - Taxonomic classifier using k-mers and abundance estimations
 - [Kraken2](#kraken2) - Taxonomic classifier using exact k-mer matches
 - [KrakenUniq](#krakenuniq) - Taxonomic classifier that combines the k-mer-based classification and the number of unique k-mers found in each species
@@ -194,7 +193,7 @@ It is used with nf-core/taxprofiler to allow removal of 'host' (e.g. human) and/
 
 </details>
 
-By default nf-core/taxprofiler will only provide the `.log` file if host removal is turned on. You will only see the mapped (host) reads `.bam` file or the off-target reads in `.fastq` format in your results directory if you provide `--save_hostremoval_mapped` and ` --save_hostremoval_unmapped` respectively.
+By default nf-core/taxprofiler will only provide the `.log` file if host removal is turned on. You will only see the mapped (host) and unmapped reads in `.bam` format or the off-target reads in .fastq format in your results directory if you provide `--save_hostremoval_mapped` and ` --save_hostremoval_unmapped` respectively.
 
 > ⚠️ The resulting `.fastq` files may _not_ always be the 'final' reads that go into taxprofiling, if you also run other steps such as run merging etc..
 
@@ -214,33 +213,23 @@ It is used with nf-core/taxprofiler to allow removal of 'host' (e.g. human) or o
 
 </details>
 
-By default, nf-core taxprofiler will only provide the `.bam` file if host removal for long reads is turned on (i.e., `--save_hostremoval_mapped` and ` --save_hostremoval_unmapped`).
+By default, nf-core taxprofiler will only provide the `.bam` file containing mapped and unmapped if host removal for long reads is turned on (i.e., `--save_hostremoval_mapped` and ` --save_hostremoval_unmapped`).
 
 > ℹ️ minimap2 is not yet supported as a module in MultiQC and therefore there is no dedicated section in the MultiQC HTML. Rather, alignment statistics to host genome is reported via samtools stats module in MultiQC report.
 
-### SAMtools view
+### SAMtools fastq
 
-[SAMtools view](http://www.htslib.org/doc/samtools-view.html) views and comverts a `.sam`, `.bam`, or `.cram` alignment file.
+[SAMtools fastq](http://www.htslib.org/doc/1.1/samtools.html) converts a `.sam`, `.bam`, or `.cram` alignment file to FASTQ format
 
 <details markdown="1">
 <summary>Output files</summary>
 
 - `samtoolsstats`
-  - `<sample_id>.bam`: Alignment file in BAM format
+  - `<sample_id>.fq.gz`: Alignment file in FASTQ gzip format.
 
 </details>
 
-### SAMtools bam2fq
-
-[SAMtools bam2fq](http://www.htslib.org/doc/1.1/samtools.html) converts a `.sam`, `.bam`, or `.cram` alignment file to FASTQ format
-
-<details markdown="1">
-<summary>Output files</summary>
-
-- `samtoolsstats`
-  - `<sample_id>.fq.zg`: Alignment file in FASTQ gzip format.
-
-</details>
+This directory will be present and contain the unmapped reads from the FASTQ format from long-read minimap2 host removal (for short-read unmapped reads, see [bowtie2](#bowtie2), if `--save_hostremoval_unmapped` is supplied.
 
 ### SAMtools stats
 
@@ -359,7 +348,7 @@ The most summary file is the `*combined_reports.txt` file which summarises resul
 
 - `diamond`
   - `<sample_id>.log`: A log file containing stdout information
-  - `<sample_id>*.{blast,xml,txt,daa,sam,tsv,paf,log}`: A file containing alignment information in various formats, or taxonomic information in a text-based format. Exact output depends on user choice.
+  - `<sample_id>*.{blast,xml,txt,daa,sam,tsv,paf}`: A file containing alignment information in various formats, or taxonomic information in a text-based format. Exact output depends on user choice.
 
 </details>
 
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 0c7ce3d..ee67554 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -296,8 +296,8 @@
                 "save_hostremoval_mapped": {
                     "type": "boolean",
                     "fa_icon": "fas fa-save",
-                    "description": "Save mapped reads in BAM format from host removal",
-                    "help_text": "Save the reads mapped to the reference genome in BAM format as output by the respective hostremoval alignment tool.\n\nThis can be useful if you wish to perform other analyses on the host organism (such as host-microbe interaction), however, you should consider whether the default mapping parameters of Bowtie2 (short-read) or minimap2 (long-read) are optimised to your context. "
+                    "description": "Saved mapped and unmapped reads in BAM format from host removal",
+                    "help_text": "Save the reads mapped to the reference genome and offtarget reads in BAM format as output by the respective hostremoval alignment tool.\n\nThis can be useful if you wish to perform other analyses on the host organism (such as host-microbe interaction), however, you should consider whether the default mapping parameters of Bowtie2 (short-read) or minimap2 (long-read) are optimised to your context. "
                 },
                 "save_hostremoval_unmapped": {
                     "type": "boolean",

From 4123e0698130b037be2679b3938d79c144304e4e Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Fri, 3 Feb 2023 15:54:29 +0100
Subject: [PATCH 645/789] Apply last review suggestions

---
 docs/output.md       | 4 ++--
 nextflow_schema.json | 2 +-
 2 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/docs/output.md b/docs/output.md
index e1df0b9..0107ad9 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -193,7 +193,7 @@ It is used with nf-core/taxprofiler to allow removal of 'host' (e.g. human) and/
 
 </details>
 
-By default nf-core/taxprofiler will only provide the `.log` file if host removal is turned on. You will only see the mapped (host) and unmapped reads in `.bam` format or the off-target reads in .fastq format in your results directory if you provide `--save_hostremoval_mapped` and ` --save_hostremoval_unmapped` respectively.
+By default nf-core/taxprofiler will only provide the `.log` file if host removal is turned on. You will only see the mapped (host) and unmapped reads in `.bam` format or the off-target reads in `.fastq` format in your results directory if you provide `--save_hostremoval_mapped` and ` --save_hostremoval_unmapped` respectively.
 
 > ⚠️ The resulting `.fastq` files may _not_ always be the 'final' reads that go into taxprofiling, if you also run other steps such as run merging etc..
 
@@ -229,7 +229,7 @@ By default, nf-core taxprofiler will only provide the `.bam` file containing map
 
 </details>
 
-This directory will be present and contain the unmapped reads from the FASTQ format from long-read minimap2 host removal (for short-read unmapped reads, see [bowtie2](#bowtie2), if `--save_hostremoval_unmapped` is supplied.
+This directory will be present and contain the unmapped reads from the `.fastq` format from long-read minimap2 host removal (for short-read unmapped reads, see [bowtie2](#bowtie2)), if `--save_hostremoval_unmapped` is supplied.
 
 ### SAMtools stats
 
diff --git a/nextflow_schema.json b/nextflow_schema.json
index ee67554..79a2325 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -297,7 +297,7 @@
                     "type": "boolean",
                     "fa_icon": "fas fa-save",
                     "description": "Saved mapped and unmapped reads in BAM format from host removal",
-                    "help_text": "Save the reads mapped to the reference genome and offtarget reads in BAM format as output by the respective hostremoval alignment tool.\n\nThis can be useful if you wish to perform other analyses on the host organism (such as host-microbe interaction), however, you should consider whether the default mapping parameters of Bowtie2 (short-read) or minimap2 (long-read) are optimised to your context. "
+                    "help_text": "Save the reads mapped to the reference genome and off-target reads in BAM format as output by the respective hostremoval alignment tool.\n\nThis can be useful if you wish to perform other analyses on the host organism (such as host-microbe interaction), however, you should consider whether the default mapping parameters of Bowtie2 (short-read) or minimap2 (long-read) are optimised to your context."
                 },
                 "save_hostremoval_unmapped": {
                     "type": "boolean",

From 059cd17114814c63121d994ea8f2275584f1e12e Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 7 Feb 2023 11:43:40 +0100
Subject: [PATCH 646/789] Fix exporting of mapped/unmapped reads for
 consistency across both short and long reads

---
 conf/modules.config                         | 15 ++++--------
 conf/test_full.config                       |  2 +-
 docs/output.md                              | 26 +++++++++++++--------
 nextflow.config                             |  2 +-
 nextflow_schema.json                        |  4 ++--
 subworkflows/local/longread_hostremoval.nf  |  6 ++---
 subworkflows/local/shortread_hostremoval.nf | 14 +++--------
 7 files changed, 31 insertions(+), 38 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index cae5a45..01db6f6 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -201,6 +201,7 @@ process {
         ]
     }
 
+    // Saving unmapped reads as FQ comes via input channel!
     withName: BOWTIE2_ALIGN {
         ext.prefix = { "${meta.id}_${meta.run_accession}" }
         publishDir = [
@@ -212,7 +213,7 @@ process {
             [
                 path: { "${params.outdir}/bowtie2/align" },
                 mode: params.publish_dir_mode,
-                enabled: params.save_hostremoval_mapped,
+                enabled: params.save_hostremoval_bam,
                 pattern: '*.bam'
             ],
             [
@@ -239,24 +240,18 @@ process {
         publishDir = [
             path: { "${params.outdir}/minimap2/align" },
             mode: params.publish_dir_mode,
-            enabled: params.save_hostremoval_mapped,
+            enabled: params.save_hostremoval_bam,
             pattern: '*.bam'
         ]
     }
 
     withName: SAMTOOLS_VIEW {
         ext.args = '-f 4'
-        ext.prefix = { "${meta.id}.mapped.sorted" }
-        publishDir = [
-            path: { "${params.outdir}/samtools/view" },
-            mode: params.publish_dir_mode,
-            enabled: params.save_hostremoval_unmapped,
-            pattern: '*.bam'
-        ]
+        ext.prefix = { "${meta.id}_${meta.run_accession}.unmapped" }
     }
 
     withName: SAMTOOLS_BAM2FQ {
-        ext.prefix = { "${meta.id}_${meta.run_accession}" }
+        ext.prefix = { "${meta.id}_${meta.run_accession}.unmapped" }
         publishDir = [
             path: { "${params.outdir}/samtools/bam2fq" },
             mode: params.publish_dir_mode,
diff --git a/conf/test_full.config b/conf/test_full.config
index 07099d0..e8bcb31 100644
--- a/conf/test_full.config
+++ b/conf/test_full.config
@@ -30,7 +30,7 @@ params {
     perform_shortread_hostremoval = true
     perform_longread_hostremoval = true
     save_hostremoval_index = true
-    save_hostremoval_mapped = true
+    save_hostremoval_bam = true
     save_hostremoval_unmapped = true
 
     perform_runmerging = true
diff --git a/docs/output.md b/docs/output.md
index 0107ad9..8c5bc5c 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -23,7 +23,7 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d
 - [Bowtie2](#bowtie2) - Host removal for Illumina reads
 - [minimap2](#minimap2) - Host removal for Nanopore reads
 - [SAMtools stats](#samtoolsstats) - Statistics from host removal
-- [SAMtools fastq](#samtoolsfastq) - Converts the alignment file in fastq format
+- [SAMtools bam2fq](#samtoolsfastq) - Converts unmapped BAM file to fastq format (minimap2 only)
 - [Bracken](#bracken) - Taxonomic classifier using k-mers and abundance estimations
 - [Kraken2](#kraken2) - Taxonomic classifier using exact k-mer matches
 - [KrakenUniq](#krakenuniq) - Taxonomic classifier that combines the k-mer-based classification and the number of unique k-mers found in each species
@@ -179,7 +179,7 @@ You will only find the `.fastq` files in the results directory if you provide `
 
 ### Bowtie2
 
-[Bowtie 2](https://bowtie-bio.sourceforge.net/bowtie2/index.shtml) is an ultrafast and memory-efficient tool for aligning sequencing reads to long reference sequences. It is particularly good at aligning reads of about 50 up to 100s or 1,000s of characters, and particularly good at aligning to relatively long (e.g. mammalian) genomes.
+[Bowtie 2](https://bowtie-bio.sourceforge.net/bowtie2/index.shtml) is an ultrafast and memory-efficient tool for aligning sequencing reads to long reference sequences. It is particularly good at aligning reads of about 50 up to 100s or 1,000s of characters, and particularly good at aligning to relatively long (e.g. mammalian) genomes.
 
 It is used with nf-core/taxprofiler to allow removal of 'host' (e.g. human) and/or other possible contaminant reads (e.g. Phi X) from short-read `.fastq` files prior to profiling.
 
@@ -187,13 +187,15 @@ It is used with nf-core/taxprofiler to allow removal of 'host' (e.g. human) and/
 <summary>Output files</summary>
 
 - `bowtie2/`
-  - `<sample_id>.bam`: reads that aligned against the user-supplied reference genome
+  - `<sample_id>.bam`: BAM file containing reads that aligned against the user-supplied reference genome as well as unmapped reads
   - `<sample_id>.bowtie2.log`: log file about the mapped reads
   - `<sample_id>.unmapped.fastq.gz`: the off-target reads from the mapping that is used in downstream steps.
 
 </details>
 
-By default nf-core/taxprofiler will only provide the `.log` file if host removal is turned on. You will only see the mapped (host) and unmapped reads in `.bam` format or the off-target reads in `.fastq` format in your results directory if you provide `--save_hostremoval_mapped` and ` --save_hostremoval_unmapped` respectively.
+By default nf-core/taxprofiler will only provide the `.log` file if host removal is turned on. You will only have a `.bam` file if you specify `--save_hostremoval_bam`. This will contain _both_ mapped and unmapped reads. You will only get FASTQ files if you specify to save `--save_hostremoval_unmapped` - these contain only unmapped reads.
+
+> ℹ️ Unmapped reads in FASTQ are only found in this directory for short-reads, for long-reads see [`samtools/bam2fq/`](#samtools-bam2fq)
 
 > ⚠️ The resulting `.fastq` files may _not_ always be the 'final' reads that go into taxprofiling, if you also run other steps such as run merging etc..
 
@@ -209,27 +211,31 @@ It is used with nf-core/taxprofiler to allow removal of 'host' (e.g. human) or o
 <summary>Output files</summary>
 
 - `minimap2`
-  - `<sample_id>.bam`: Alignment file in BAM format
+  - `<sample_id>.bam`: Alignment file in BAM format containing both mapped and unmapped reads.
 
 </details>
 
-By default, nf-core taxprofiler will only provide the `.bam` file containing mapped and unmapped if host removal for long reads is turned on (i.e., `--save_hostremoval_mapped` and ` --save_hostremoval_unmapped`).
+By default, nf-core/taxprofiler will only provide the `.bam` file containing mapped and unmapped reads if saving of host removal for long reads is turned on via `--save_hostremoval_bam`.
 
 > ℹ️ minimap2 is not yet supported as a module in MultiQC and therefore there is no dedicated section in the MultiQC HTML. Rather, alignment statistics to host genome is reported via samtools stats module in MultiQC report.
 
-### SAMtools fastq
+> ℹ️ Unlike Bowtie2, minimap2 does not produce an unmapped FASTQ file by itself. See [`samtools/bam2fq`](#samtools-bam2fq)
+
+### SAMtools bam2fq
 
-[SAMtools fastq](http://www.htslib.org/doc/1.1/samtools.html) converts a `.sam`, `.bam`, or `.cram` alignment file to FASTQ format
+[SAMtools bam2fq](http://www.htslib.org/doc/1.1/samtools.html) converts a `.sam`, `.bam`, or `.cram` alignment file to FASTQ format
 
 <details markdown="1">
 <summary>Output files</summary>
 
 - `samtoolsstats`
-  - `<sample_id>.fq.gz`: Alignment file in FASTQ gzip format.
+  - `<sample_id>_interleaved.fq.gz`: Unmapped reads only in FASTQ gzip format
 
 </details>
 
-This directory will be present and contain the unmapped reads from the `.fastq` format from long-read minimap2 host removal (for short-read unmapped reads, see [bowtie2](#bowtie2)), if `--save_hostremoval_unmapped` is supplied.
+This directory will be present and contain the unmapped reads from the `.fastq` format from long-read minimap2 host removal, if `--save_hostremoval_unmapped` is supplied
+
+> ℹ️ For short-read unmapped reads, see [bowtie2](#bowtie2).
 
 ### SAMtools stats
 
diff --git a/nextflow.config b/nextflow.config
index f5ab538..45a3cc7 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -103,7 +103,7 @@ params {
     shortread_hostremoval_index            = null
     longread_hostremoval_index             = null
     save_hostremoval_index                 = false
-    save_hostremoval_mapped                = false
+    save_hostremoval_bam                = false
     save_hostremoval_unmapped              = false
 
 
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 79a2325..89cad56 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -293,7 +293,7 @@
                     "description": "Save mapping index of input reference when not already supplied by user",
                     "help_text": "Save the output files of the in-built indexing of the host genome.\n\nThis is recommend to be turned on if you plan to use the same reference genome multiple times, as supplying the directory or file to `--shortread_hostremoval_index` or `--longread_hostremoval_index` respectively can speed up runtime of future runs. Once generated, we recommend you place this file _outside_ of your run results directory in a central 'cache' directory you and others using your machine can access and supply to the pipeline."
                 },
-                "save_hostremoval_mapped": {
+                "save_hostremoval_bam": {
                     "type": "boolean",
                     "fa_icon": "fas fa-save",
                     "description": "Saved mapped and unmapped reads in BAM format from host removal",
@@ -303,7 +303,7 @@
                     "type": "boolean",
                     "fa_icon": "fas fa-save",
                     "description": "Save unmapped reads in FASTQ format from host removal",
-                    "help_text": "Save the unreads mapped to the reference genome in FASTQ format (as exported from `samtools view`).\n\nThis can be useful if you wish to perform other analyses on the off-target reads from the host mapping, such as manual profiling or _de novo_ assembly."
+                    "help_text": "Save only the reads NOT mapped to the reference genome in FASTQ format (as exported from `samtools view` and `bam2fq`).\n\nThis can be useful if you wish to perform other analyses on the off-target reads from the host mapping, such as manual profiling or _de novo_ assembly."
                 }
             },
             "fa_icon": "fas fa-user-times"
diff --git a/subworkflows/local/longread_hostremoval.nf b/subworkflows/local/longread_hostremoval.nf
index 3f9fdef..63fce58 100644
--- a/subworkflows/local/longread_hostremoval.nf
+++ b/subworkflows/local/longread_hostremoval.nf
@@ -34,14 +34,15 @@ workflow LONGREAD_HOSTREMOVAL {
                 [ meta, reads, [] ]
         }
 
-
+    // Generate unmapped reads FASTQ for downstream taxprofiling
     SAMTOOLS_VIEW ( ch_minimap2_mapped , [], [] )
     ch_versions      = ch_versions.mix( SAMTOOLS_VIEW.out.versions.first() )
 
     SAMTOOLS_BAM2FQ ( SAMTOOLS_VIEW.out.bam, false )
     ch_versions      = ch_versions.mix( SAMTOOLS_BAM2FQ.out.versions.first() )
 
-    SAMTOOLS_INDEX ( SAMTOOLS_VIEW.out.bam )
+    // Indexing whole BAM for host removal statistics
+    SAMTOOLS_INDEX ( MINIMAP2_ALIGN.out.bam )
     ch_versions      = ch_versions.mix( SAMTOOLS_INDEX.out.versions.first() )
 
     bam_bai = MINIMAP2_ALIGN.out.bam
@@ -51,7 +52,6 @@ workflow LONGREAD_HOSTREMOVAL {
     ch_versions = ch_versions.mix(SAMTOOLS_STATS.out.versions.first())
     ch_multiqc_files = ch_multiqc_files.mix( SAMTOOLS_STATS.out.stats )
 
-
     emit:
     stats    = SAMTOOLS_STATS.out.stats     //channel: [val(meta), [reads  ] ]
     reads    = SAMTOOLS_BAM2FQ.out.reads   // channel: [ val(meta), [ reads ] ]
diff --git a/subworkflows/local/shortread_hostremoval.nf b/subworkflows/local/shortread_hostremoval.nf
index 71ebb08..50cd0d7 100644
--- a/subworkflows/local/shortread_hostremoval.nf
+++ b/subworkflows/local/shortread_hostremoval.nf
@@ -6,7 +6,6 @@ include { BOWTIE2_BUILD             } from '../../modules/nf-core/bowtie2/build/
 include { BOWTIE2_ALIGN             } from '../../modules/nf-core/bowtie2/align/main'
 include { SAMTOOLS_INDEX            } from '../../modules/nf-core/samtools/index/main'
 include { SAMTOOLS_STATS            } from '../../modules/nf-core/samtools/stats/main'
-include { SAMTOOLS_VIEW             } from '../../modules/nf-core/samtools/view/main'
 
 workflow SHORTREAD_HOSTREMOVAL {
     take:
@@ -25,20 +24,13 @@ workflow SHORTREAD_HOSTREMOVAL {
         ch_bowtie2_index = index.first()
     }
 
+    // Map, generate BAM with all reads and unmapped reads in FASTQ for downstream
     BOWTIE2_ALIGN ( reads, ch_bowtie2_index, true, true)
     ch_versions      = ch_versions.mix( BOWTIE2_ALIGN.out.versions.first() )
     ch_multiqc_files = ch_multiqc_files.mix( BOWTIE2_ALIGN.out.log )
 
-    ch_bowtie2_mapped = BOWTIE2_ALIGN.out.bam
-        .map {
-            meta, reads ->
-                [ meta, reads, [] ]
-        }
-
-    SAMTOOLS_VIEW ( ch_bowtie2_mapped, [], [] )
-    ch_versions      = ch_versions.mix( SAMTOOLS_VIEW.out.versions.first() )
-
-    SAMTOOLS_INDEX ( SAMTOOLS_VIEW.out.bam )
+    // Indexing whole BAM for host removal statistics
+    SAMTOOLS_INDEX ( BOWTIE2_ALIGN.out.bam )
     ch_versions      = ch_versions.mix( SAMTOOLS_INDEX.out.versions.first() )
 
     bam_bai = BOWTIE2_ALIGN.out.bam

From 18886c0cbca45a1959b5c433822ee3e8f5163957 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 7 Feb 2023 15:51:25 +0100
Subject: [PATCH 647/789] Start trying a different method with maps in
 profiling

---
 conf/modules.config             |  2 +-
 docs/usage.md                   | 16 +++++++++-------
 subworkflows/local/db_check.nf  | 11 +++++++----
 subworkflows/local/profiling.nf | 15 ++++++++++++++-
 4 files changed, 31 insertions(+), 13 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index cae5a45..47c4663 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -359,7 +359,7 @@ process {
     }
 
     withName: BRACKEN_BRACKEN {
-        errorStrategy = 'ignore'
+        ext.args = { "${meta.db_params}" }
         ext.prefix = params.perform_runmerging ? { "${meta.id}_${meta.db_name}.bracken" } : { "${meta.id}_${meta.run_accession}_${meta.db_name}.bracken" }
         publishDir = [
             path: { "${params.outdir}/bracken/${meta.db_name}/" },
diff --git a/docs/usage.md b/docs/usage.md
index 366e0e5..21c983d 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -95,7 +95,7 @@ An example database sheet can look as follows, where 5 tools are being used, and
 tool,db_name,db_params,db_path
 malt,malt85,-id 85,/<path>/<to>/malt/testdb-malt/
 malt,malt95,-id 90,/<path>/<to>/malt/testdb-malt.tar.gz
-bracken,db1,,/<path>/<to>/bracken/testdb-bracken.tar.gz
+bracken,db1,;-r 150,/<path>/<to>/bracken/testdb-bracken.tar.gz
 kraken2,db2,--quick,/<path>/<to>/kraken2/testdb-kraken2.tar.gz
 krakenuniq,db3,,/<path>/<to>/krakenuniq/testdb-krakenuniq.tar.gz
 centrifuge,db1,,/<path>/<to>/centrifuge/minigut_cf.tar.gz
@@ -103,14 +103,16 @@ metaphlan3,db1,,/<path>/<to>/metaphlan3/metaphlan_database/
 motus,db_mOTU,,/<path>/<to>/motus/motus_database/
 ```
 
+Bracken **must** have a _semi-colon_ `;` list as in `db_params`, regardless of whether you have parameters or not. This is to allow to specify the Kraken2 parameters before, and Bracken parameters after the `;` as Bracken is a two step process. This is particularly important if you supply a Bracken database with a non-default read length parameter.
+
 Column specifications are as follows:
 
-| Column      | Description                                                                                                                                                                                                                                                                                                                                                                                                                                                                                              |
-| ----------- | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
-| `tool`      | Taxonomic profiling tool (supported by nf-core/taxprofiler) that the database has been indexed for [required]. Please note that `bracken` also implies running `kraken2` on the same database.                                                                                                                                                                                                                                                                                                           |
-| `db_name`   | A unique name per tool for the particular database [required]. Please note that names need to be unique across both `kraken2` and `bracken` as well, even if re-using the same database.                                                                                                                                                                                                                                                                                                                 |
-| `db_params` | Any parameters of the given taxonomic classifier/profiler that you wish to specify that the taxonomic classifier/profiling tool should use when profiling against this specific database. Can be empty to use taxonomic classifier/profiler defaults. Must not be surrounded by quotes [required]. We generally do not recommend specifying parameters here that turn on/off saving of output files or specifying particular file extensions - this should be already addressed via pipeline parameters. |
-| `db_path`   | Path to the database. Can either be a path to a directory containing the database index files or a `.tar.gz` file which contains the compressed database directory with the same name as the tar archive, minus `.tar.gz` [required].                                                                                                                                                                                                                                                                    |
+| Column      | Description                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                 |
+| ----------- | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
+| `tool`      | Taxonomic profiling tool (supported by nf-core/taxprofiler) that the database has been indexed for [required]. Please note that `bracken` also implies running `kraken2` on the same database.                                                                                                                                                                                                                                                                                                                                                                                                              |
+| `db_name`   | A unique name per tool for the particular database [required]. Please note that names need to be unique across both `kraken2` and `bracken` as well, even if re-using the same database.                                                                                                                                                                                                                                                                                                                                                                                                                    |
+| `db_params` | Any parameters of the given taxonomic classifier/profiler that you wish to specify that the taxonomic classifier/profiling tool should use when profiling against this specific database. Can be empty to use taxonomic classifier/profiler defaults. Must not be surrounded by quotes [required]. We generally do not recommend specifying parameters here that turn on/off saving of output files or specifying particular file extensions - this should be already addressed via pipeline parameters. For Bracken databases, must at a minimum contain a `;` separating Kraken2 from Bracken parameters. |
+| `db_path`   | Path to the database. Can either be a path to a directory containing the database index files or a `.tar.gz` file which contains the compressed database directory with the same name as the tar archive, minus `.tar.gz` [required].                                                                                                                                                                                                                                                                                                                                                                       |
 
 > 💡 You can also specify the same database directory/file twice (ensuring unique `db_name`s) and specify different parameters for each database to compare the effect of different parameters during classification/profiling.
 
diff --git a/subworkflows/local/db_check.nf b/subworkflows/local/db_check.nf
index 270f597..5a52704 100644
--- a/subworkflows/local/db_check.nf
+++ b/subworkflows/local/db_check.nf
@@ -13,8 +13,8 @@ workflow DB_CHECK {
     ch_dbs_for_untar = Channel.empty()
     ch_final_dbs = Channel.empty()
 
-    // special check to check _between_ rows, for which we must group rows together
-    // note: this will run in parallel to within-row validity, but we can assume this will run faster thus will fail first
+    // Special check to check _between_ rows, for which we must group rows together
+    // Note: this will run in parallel to within-row validity, but we can assume this will run faster thus will fail first
     Channel.fromPath(dbsheet)
             .splitCsv ( header:true, sep:',' )
             .map {[it.tool, it.db_name] }
@@ -25,13 +25,14 @@ workflow DB_CHECK {
                     if ( unique_names.size() < db_name.size() ) exit 1, "[nf-core/taxprofiler] ERROR: Each database for a tool must have a unique name, duplicated detected. Tool: ${tool}, Database name: ${unique_names}"
             }
 
-    // normal checks for within-row validity, so can be moved to separate functions
+    // Normal checks for within-row validity, so can be moved to separate functions
     parsed_samplesheet = Channel.fromPath(dbsheet)
         .splitCsv ( header:true, sep:',' )
         .map {
             validate_db_rows(it)
             create_db_channels(it)
         }
+        .dump(tag: "blah")
 
     ch_dbs_for_untar = parsed_samplesheet
         .branch {
@@ -40,7 +41,7 @@ workflow DB_CHECK {
         }
 
     // Filter the channel to untar only those databases for tools that are selected to be run by the user.
-    ch_input_untar = ch_dbs_for_untar.untar.dump()
+    ch_input_untar = ch_dbs_for_untar.untar
                         .filter {
                           params["run_${it[0]['tool']}"]
                         }
@@ -71,6 +72,8 @@ def validate_db_rows(LinkedHashMap row){
         if ( row.db_params.contains('"') ) exit 1, "[nf-core/taxprofiler] ERROR: Invalid database db_params entry. No quotes allowed. Error in: ${row}"
         if ( row.db_params.contains("'") ) exit 1, "[nf-core/taxprofiler] ERROR: Invalid database db_params entry. No quotes allowed. Error in: ${row}"
 
+        if ( row.tool == 'bracken' && !row.db_params.contains(";") )  exit 1, "[nf-core/taxprofiler] ERROR: Invalid database db_params entry. Bracken requires a semi-colon. Error in: ${row}"
+
 }
 
 def create_db_channels(LinkedHashMap row) {
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 6b5347f..0cd6110 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -122,6 +122,15 @@ workflow PROFILING {
     if ( params.run_kraken2 ) {
 
         ch_input_for_kraken2 =  ch_input_for_profiling.kraken2
+                                .dump(tag: "ch_input_for_kraken2")
+                                .map {
+                                    // Have to pick first element if using bracken,
+                                    // as db sheet for bracken must have ; sep list to
+                                    meta, reads, db_meta, db ->
+                                        def db_meta_new = db_meta.clone()
+                                        db_meta_new['db_params'] = db_meta['tool'] == 'bracken' ? db_meta_new['db_params'].split(;)[0] : db_meta_new['db_params']
+                                    [ meta, reads, db_meta_new, db ]
+                                }
                                 .multiMap {
                                     it ->
                                         reads: [ it[0] + it[2], it[1] ]
@@ -155,15 +164,19 @@ workflow PROFILING {
             ch_kraken2_output = KRAKEN2_STANDARD_REPORT(ch_kraken2_output).report
         }
 
+        // TODO UPDATE BRACKEN TO TAKE SECOND ELEMENT OF LIST
+        // NEED TO DO CHECKS WHEN ONE OR THE OTHER IS EMPTY AS WELL
+
         // Extract the database name to combine by.
         ch_bracken_databases = databases
             .filter { meta, db -> meta['tool'] == 'bracken' }
             .map { meta, db -> [meta['db_name'], meta, db] }
 
-        // Extract the database name to combine by.
+        // Combine back with the reads
         ch_input_for_bracken = ch_kraken2_output
             .map { meta, report -> [meta['db_name'], meta, report] }
             .combine(ch_bracken_databases, by: 0)
+            .dump(tag: "ch_input_for_bracken")
             .multiMap { key, meta, report, db_meta, db ->
                 report: [meta + db_meta, report]
                 db: db

From fe3d42ffd78a1f6ae7c8c3ab334e1036ba32d0b0 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 8 Feb 2023 13:34:36 +0100
Subject: [PATCH 648/789] Make bracken db_params be a semi-colon separate list
 to allow kraken and bracken parameters

---
 subworkflows/local/db_check.nf  |  1 -
 subworkflows/local/profiling.nf | 52 ++++++++++++++++++++++++++-------
 2 files changed, 42 insertions(+), 11 deletions(-)

diff --git a/subworkflows/local/db_check.nf b/subworkflows/local/db_check.nf
index 5a52704..20402f6 100644
--- a/subworkflows/local/db_check.nf
+++ b/subworkflows/local/db_check.nf
@@ -32,7 +32,6 @@ workflow DB_CHECK {
             validate_db_rows(it)
             create_db_channels(it)
         }
-        .dump(tag: "blah")
 
     ch_dbs_for_untar = parsed_samplesheet
         .branch {
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 0cd6110..16caa8f 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -120,17 +120,28 @@ workflow PROFILING {
     }
 
     if ( params.run_kraken2 ) {
-
-        ch_input_for_kraken2 =  ch_input_for_profiling.kraken2
-                                .dump(tag: "ch_input_for_kraken2")
+        // Have to pick first element of db_params if using bracken,
+        // as db sheet for bracken must have ; sep list to
+        // distinguish between kraken and bracken parameters
+        ch_input_for_kraken2 = ch_input_for_profiling.kraken2
+                                .dump(tag: "ch_input_for_kraken2_b4")
                                 .map {
-                                    // Have to pick first element if using bracken,
-                                    // as db sheet for bracken must have ; sep list to
                                     meta, reads, db_meta, db ->
                                         def db_meta_new = db_meta.clone()
-                                        db_meta_new['db_params'] = db_meta['tool'] == 'bracken' ? db_meta_new['db_params'].split(;)[0] : db_meta_new['db_params']
+
+                                        // Only take second element if one exists
+                                        def parsed_params = db_meta_new['db_params'].split(";")
+                                        if ( parsed_params.size() == 2 ) {
+                                            db_meta_new['db_params'] = parsed_params[0]
+                                        } else if ( parsed_params.size() == 0 ) {
+                                            db_meta_new['db_params'] = ""
+                                        } else {
+                                            db_meta_new['db_params'] = parsed_params[0]
+                                        }
+
                                     [ meta, reads, db_meta_new, db ]
                                 }
+                                .dump(tag: "ch_input_for_kraken2_after")
                                 .multiMap {
                                     it ->
                                         reads: [ it[0] + it[2], it[1] ]
@@ -164,9 +175,6 @@ workflow PROFILING {
             ch_kraken2_output = KRAKEN2_STANDARD_REPORT(ch_kraken2_output).report
         }
 
-        // TODO UPDATE BRACKEN TO TAKE SECOND ELEMENT OF LIST
-        // NEED TO DO CHECKS WHEN ONE OR THE OTHER IS EMPTY AS WELL
-
         // Extract the database name to combine by.
         ch_bracken_databases = databases
             .filter { meta, db -> meta['tool'] == 'bracken' }
@@ -176,7 +184,31 @@ workflow PROFILING {
         ch_input_for_bracken = ch_kraken2_output
             .map { meta, report -> [meta['db_name'], meta, report] }
             .combine(ch_bracken_databases, by: 0)
-            .dump(tag: "ch_input_for_bracken")
+            .dump(tag: "ch_input_for_bracken_b4")
+            .map {
+
+                key, meta, reads, db_meta, db ->
+                    def db_meta_new = db_meta.clone()
+
+                    // Have to pick second element if using bracken, as first element
+                    // contains kraken parameters
+                    if ( db_meta['tool'] == 'bracken' ) {
+
+                        // Only take second element if one exists
+                        def parsed_params = db_meta_new['db_params'].split(";")
+                        if ( parsed_params.size() == 2 ) {
+                            db_meta_new['db_params'] =  parsed_params[1]
+                        } else {
+                            db_meta_new['db_params'] = ""
+                        }
+
+                    } else {
+                        db_meta_new['db_params']
+                    }
+
+                [ key, meta, reads, db_meta_new, db ]
+            }
+            .dump(tag: "ch_input_for_bracken_after")
             .multiMap { key, meta, report, db_meta, db ->
                 report: [meta + db_meta, report]
                 db: db

From b3837cce5b4397ae0e0f17a296ff1d31d29285bd Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 8 Feb 2023 15:44:37 +0100
Subject: [PATCH 649/789] Relax strictness so can supply empty db_params but
 block if only single parameter with out ;

---
 docs/usage.md                  | 2 +-
 subworkflows/local/db_check.nf | 3 ++-
 2 files changed, 3 insertions(+), 2 deletions(-)

diff --git a/docs/usage.md b/docs/usage.md
index 21c983d..53dc8c3 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -103,7 +103,7 @@ metaphlan3,db1,,/<path>/<to>/metaphlan3/metaphlan_database/
 motus,db_mOTU,,/<path>/<to>/motus/motus_database/
 ```
 
-Bracken **must** have a _semi-colon_ `;` list as in `db_params`, regardless of whether you have parameters or not. This is to allow to specify the Kraken2 parameters before, and Bracken parameters after the `;` as Bracken is a two step process. This is particularly important if you supply a Bracken database with a non-default read length parameter.
+For Bracken, if you wish to supply amy parameters to either the Kraken or Bracken step you **must** have a _semi-colon_ `;` list as in `db_params`. This is to allow to specify the Kraken2 parameters before, and Bracken parameters after the `;` as Bracken is a two step process. This is particularly important if you supply a Bracken database with a non-default read length parameter. If you do not have any parameters to specify, you can leave this as empty.
 
 Column specifications are as follows:
 
diff --git a/subworkflows/local/db_check.nf b/subworkflows/local/db_check.nf
index 20402f6..35240ed 100644
--- a/subworkflows/local/db_check.nf
+++ b/subworkflows/local/db_check.nf
@@ -71,7 +71,8 @@ def validate_db_rows(LinkedHashMap row){
         if ( row.db_params.contains('"') ) exit 1, "[nf-core/taxprofiler] ERROR: Invalid database db_params entry. No quotes allowed. Error in: ${row}"
         if ( row.db_params.contains("'") ) exit 1, "[nf-core/taxprofiler] ERROR: Invalid database db_params entry. No quotes allowed. Error in: ${row}"
 
-        if ( row.tool == 'bracken' && !row.db_params.contains(";") )  exit 1, "[nf-core/taxprofiler] ERROR: Invalid database db_params entry. Bracken requires a semi-colon. Error in: ${row}"
+        // check if any form of bracken params, that it must have `;`
+        if ( row.tool == 'bracken' && row.db_params && !row.db_params.contains(";") )  exit 1, "[nf-core/taxprofiler] ERROR: Invalid database db_params entry. Bracken requires a semi-colon if passing parameter. Error in: ${row}"
 
 }
 

From 70eb84b8d5d310c666d0de2fb5f9db401571cc39 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Thu, 9 Feb 2023 08:01:52 +0100
Subject: [PATCH 650/789] Apply suggestions from code review

Co-authored-by: Moritz E. Beber <midnighter@posteo.net>
---
 conf/modules.config             | 1 +
 docs/usage.md                   | 2 +-
 subworkflows/local/profiling.nf | 3 ---
 3 files changed, 2 insertions(+), 4 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 47c4663..b0a6e03 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -359,6 +359,7 @@ process {
     }
 
     withName: BRACKEN_BRACKEN {
+        errorStrategy = 'ignore'
         ext.args = { "${meta.db_params}" }
         ext.prefix = params.perform_runmerging ? { "${meta.id}_${meta.db_name}.bracken" } : { "${meta.id}_${meta.run_accession}_${meta.db_name}.bracken" }
         publishDir = [
diff --git a/docs/usage.md b/docs/usage.md
index 53dc8c3..523d92a 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -103,7 +103,7 @@ metaphlan3,db1,,/<path>/<to>/metaphlan3/metaphlan_database/
 motus,db_mOTU,,/<path>/<to>/motus/motus_database/
 ```
 
-For Bracken, if you wish to supply amy parameters to either the Kraken or Bracken step you **must** have a _semi-colon_ `;` list as in `db_params`. This is to allow to specify the Kraken2 parameters before, and Bracken parameters after the `;` as Bracken is a two step process. This is particularly important if you supply a Bracken database with a non-default read length parameter. If you do not have any parameters to specify, you can leave this as empty.
+For Bracken, if you wish to supply any parameters to either the Kraken or Bracken step you **must** have a _semi-colon_ `;` list as in `db_params`. This is to allow to specify the Kraken2 parameters before, and Bracken parameters after the `;` as Bracken is a two step process. This is particularly important if you supply a Bracken database with a non-default read length parameter. If you do not have any parameters to specify, you can leave this as empty.
 
 Column specifications are as follows:
 
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 16caa8f..cf5a9b8 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -141,7 +141,6 @@ workflow PROFILING {
 
                                     [ meta, reads, db_meta_new, db ]
                                 }
-                                .dump(tag: "ch_input_for_kraken2_after")
                                 .multiMap {
                                     it ->
                                         reads: [ it[0] + it[2], it[1] ]
@@ -184,7 +183,6 @@ workflow PROFILING {
         ch_input_for_bracken = ch_kraken2_output
             .map { meta, report -> [meta['db_name'], meta, report] }
             .combine(ch_bracken_databases, by: 0)
-            .dump(tag: "ch_input_for_bracken_b4")
             .map {
 
                 key, meta, reads, db_meta, db ->
@@ -208,7 +206,6 @@ workflow PROFILING {
 
                 [ key, meta, reads, db_meta_new, db ]
             }
-            .dump(tag: "ch_input_for_bracken_after")
             .multiMap { key, meta, report, db_meta, db ->
                 report: [meta + db_meta, report]
                 db: db

From a731669b8e2207c4167b9bb9c10ca7626604b57e Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 9 Feb 2023 13:31:57 +0100
Subject: [PATCH 651/789] optimisation for single-cpu processes

---
 conf/base.config | 7 ++++++-
 1 file changed, 6 insertions(+), 1 deletion(-)

diff --git a/conf/base.config b/conf/base.config
index d8b8fa7..4200e22 100644
--- a/conf/base.config
+++ b/conf/base.config
@@ -28,7 +28,7 @@ process {
     // See https://www.nextflow.io/docs/latest/config.html#config-process-selectors
     withLabel:process_single {
         cpus   = { check_max( 1                  , 'cpus'    ) }
-        memory = { check_max( 6.GB * task.attempt, 'memory'  ) }
+        memory = { check_max( 1.GB * task.attempt, 'memory'  ) }
         time   = { check_max( 4.h  * task.attempt, 'time'    ) }
     }
     withLabel:process_low {
@@ -62,4 +62,9 @@ process {
     withName:CUSTOM_DUMPSOFTWAREVERSIONS {
         cache = false
     }
+    withName: rma2info {
+        cpus   = { check_max( 1                  , 'cpus'    ) }
+        memory = { check_max( 6.GB * task.attempt, 'memory'  ) }
+        time   = { check_max( 4.h  * task.attempt, 'time'    ) }
+    }
 }

From cc7d219267798020183ae2f812e66178d0d2107f Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 9 Feb 2023 13:32:29 +0100
Subject: [PATCH 652/789] Revert "optimisation for single-cpu processes"

This reverts commit a731669b8e2207c4167b9bb9c10ca7626604b57e.
---
 conf/base.config | 7 +------
 1 file changed, 1 insertion(+), 6 deletions(-)

diff --git a/conf/base.config b/conf/base.config
index 4200e22..d8b8fa7 100644
--- a/conf/base.config
+++ b/conf/base.config
@@ -28,7 +28,7 @@ process {
     // See https://www.nextflow.io/docs/latest/config.html#config-process-selectors
     withLabel:process_single {
         cpus   = { check_max( 1                  , 'cpus'    ) }
-        memory = { check_max( 1.GB * task.attempt, 'memory'  ) }
+        memory = { check_max( 6.GB * task.attempt, 'memory'  ) }
         time   = { check_max( 4.h  * task.attempt, 'time'    ) }
     }
     withLabel:process_low {
@@ -62,9 +62,4 @@ process {
     withName:CUSTOM_DUMPSOFTWAREVERSIONS {
         cache = false
     }
-    withName: rma2info {
-        cpus   = { check_max( 1                  , 'cpus'    ) }
-        memory = { check_max( 6.GB * task.attempt, 'memory'  ) }
-        time   = { check_max( 4.h  * task.attempt, 'time'    ) }
-    }
 }

From ce1118930dbf0a888421fea00728107d46094af5 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 9 Feb 2023 13:33:39 +0100
Subject: [PATCH 653/789] Resource optimisation

---
 conf/base.config | 7 ++++++-
 1 file changed, 6 insertions(+), 1 deletion(-)

diff --git a/conf/base.config b/conf/base.config
index d8b8fa7..c06d231 100644
--- a/conf/base.config
+++ b/conf/base.config
@@ -28,7 +28,7 @@ process {
     // See https://www.nextflow.io/docs/latest/config.html#config-process-selectors
     withLabel:process_single {
         cpus   = { check_max( 1                  , 'cpus'    ) }
-        memory = { check_max( 6.GB * task.attempt, 'memory'  ) }
+        memory = { check_max( 1.GB * task.attempt, 'memory'  ) }
         time   = { check_max( 4.h  * task.attempt, 'time'    ) }
     }
     withLabel:process_low {
@@ -62,4 +62,9 @@ process {
     withName:CUSTOM_DUMPSOFTWAREVERSIONS {
         cache = false
     }
+    withName: RMA2INFO {
+        cpus   = { check_max( 1                  , 'cpus'    ) }
+        memory = { check_max( 6.GB * task.attempt, 'memory'  ) }
+        time   = { check_max( 4.h  * task.attempt, 'time'    ) }
+    }
 }

From 79b4db9a34cc032e1ea0c92eee17db803731cfe6 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 16 Feb 2023 13:39:05 +0100
Subject: [PATCH 654/789] Move kaiju2table to profiling

---
 conf/modules.config                            |  4 ++--
 docs/output.md                                 |  9 +++++----
 subworkflows/local/profiling.nf                | 10 ++++++++--
 subworkflows/local/standardisation_profiles.nf | 16 ----------------
 4 files changed, 15 insertions(+), 24 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 8ef8728..815e216 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -487,9 +487,9 @@ process {
     }
 
     withName: KAIJU_KAIJU2TABLE {
-        ext.prefix = { "kaiju_${meta.id}_combined_reports" }
+        ext.prefix = params.perform_runmerging ? { "${meta.id}_${meta.db_name}.kaijutable" } : { "${meta.id}_${meta.run_accession}_${meta.db_name}.kaijutable" }
         publishDir = [
-            path: { "${params.outdir}/kaiju/" },
+            path: { "${params.outdir}/kaiju/${meta.db_name}/" },
             mode: params.publish_dir_mode,
             pattern: '*.{txt}'
         ]
diff --git a/docs/output.md b/docs/output.md
index 8c5bc5c..1a03109 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -332,18 +332,19 @@ The main taxonomic classification files from Centrifuge are the `_combined_repor
 
 ### Kaiju
 
-[Kaiju](https://github.com/bioinformatics-centre/kaiju) is a taxonomic classifier that finds maximum exact matches on the protein-level using the Burrows–Wheeler transform.
+[Kaiju](https://github.com/bioinformatics-centre/kaiju) is a taxonomic classifier that finds maximum exact matches on the protein-level using the Burrows-Wheeler transform.
 
 <details markdown="1">
 <summary>Output files</summary>
 
 - `kaiju`
-  - `<sample_id>.tsv`: A file that summarises the fraction abundance, taxonomic ID, number of reads and taxonomic names
-  - `kaiju_<db_name>_combined_reports.txt`: A combined profile of all samples aligned to a given database (as generated by `kaiju2table`)
+  - `<db_name>/`
+    - `<sample_id>_<db_name>.kaiju.tsv`: Raw output from Kaiju with taxonomic rank, read ID and taxonic ID
+    - `<sample_id>_<db_name>.kaijutable.txt`: Summarised Kaiju output with fraction abundance, taxonomic ID, number of reads, and taxonomic names (as generated by `kaiju2table`)
 
 </details>
 
-The most summary file is the `*combined_reports.txt` file which summarises results across all samples. However if you wish to look at more precise information about each assignment, check the per-sample file. The default taxonomic rank is `species`. You can provide a different one by updating the argument `--kaiju_taxon_rank`.
+The most useful summary file is the `*kaijutable.txt` file which summarises hits across all treads. However if you wish to look at more precise information on a per-read bases `*tsv` file. The default taxonomic rank is `species`. You can provide a different one by updating the argument `--kaiju_taxon_rank`.
 
 ### DIAMOND
 
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index cf5a9b8..cbd8071 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -5,12 +5,13 @@
 include { MALT_RUN                              } from '../../modules/nf-core/malt/run/main'
 include { MEGAN_RMA2INFO as MEGAN_RMA2INFO_TSV  } from '../../modules/nf-core/megan/rma2info/main'
 include { KRAKEN2_KRAKEN2                       } from '../../modules/nf-core/kraken2/kraken2/main'
-include { KRAKEN2_STANDARD_REPORT                } from '../../modules/local/kraken2_standard_report'
+include { KRAKEN2_STANDARD_REPORT               } from '../../modules/local/kraken2_standard_report'
 include { BRACKEN_BRACKEN                       } from '../../modules/nf-core/bracken/bracken/main'
 include { CENTRIFUGE_CENTRIFUGE                 } from '../../modules/nf-core/centrifuge/centrifuge/main'
 include { CENTRIFUGE_KREPORT                    } from '../../modules/nf-core/centrifuge/kreport/main'
 include { METAPHLAN3_METAPHLAN3                 } from '../../modules/nf-core/metaphlan3/metaphlan3/main'
 include { KAIJU_KAIJU                           } from '../../modules/nf-core/kaiju/kaiju/main'
+include { KAIJU_KAIJU2TABLE                     } from '../../modules/nf-core/kaiju/kaiju2table/main'
 include { DIAMOND_BLASTX                        } from '../../modules/nf-core/diamond/blastx/main'
 include { MOTUS_PROFILE                         } from '../../modules/nf-core/motus/profile/main'
 include { KRAKENUNIQ_PRELOADEDKRAKENUNIQ        } from '../../modules/nf-core/krakenuniq/preloadedkrakenuniq/main'
@@ -269,7 +270,12 @@ workflow PROFILING {
 
         KAIJU_KAIJU ( ch_input_for_kaiju.reads, ch_input_for_kaiju.db)
         ch_versions = ch_versions.mix( KAIJU_KAIJU.out.versions.first() )
-        ch_raw_classifications = ch_raw_classifications.mix( KAIJU_KAIJU.out.results )
+
+        KAIJU_KAIJU2TABLE ( KAIJU_KAIJU.out.results, ch_input_for_kaiju.db, params.kaiju_taxon_rank)
+        ch_versions = ch_versions.mix( KAIJU_KAIJU2TABLE.out.versions )
+
+        ch_multiqc_files = ch_multiqc_files.mix( KAIJU_KAIJU2TABLE.out.summary )
+        ch_raw_classifications = ch_raw_classifications.mix( KAIJU_KAIJU2TABLE.out.summary )
 
     }
 
diff --git a/subworkflows/local/standardisation_profiles.nf b/subworkflows/local/standardisation_profiles.nf
index 582aaed..303d8fd 100644
--- a/subworkflows/local/standardisation_profiles.nf
+++ b/subworkflows/local/standardisation_profiles.nf
@@ -3,7 +3,6 @@
 //
 
 include { BRACKEN_COMBINEBRACKENOUTPUTS                                         } from '../../modules/nf-core/bracken/combinebrackenoutputs/main'
-include { KAIJU_KAIJU2TABLE                                                     } from '../../modules/nf-core/kaiju/kaiju2table/main'
 include { KRAKENTOOLS_COMBINEKREPORTS as KRAKENTOOLS_COMBINEKREPORTS_KRAKEN     } from '../../modules/nf-core/krakentools/combinekreports/main'
 include { KRAKENTOOLS_COMBINEKREPORTS as KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE } from '../../modules/nf-core/krakentools/combinekreports/main'
 include { METAPHLAN3_MERGEMETAPHLANTABLES                                       } from '../../modules/nf-core/metaphlan3/mergemetaphlantables/main'
@@ -79,21 +78,6 @@ workflow STANDARDISATION_PROFILES {
     ch_multiqc_files = ch_multiqc_files.mix( KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE.out.txt )
     ch_versions = ch_versions.mix( KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE.out.versions )
 
-    // Kaiju
-
-    // Collect and replace id for db_name for prefix
-    ch_profiles_for_kaiju = ch_input_classifications.kaiju
-                                .map { [it[0]['db_name'], it[1]] }
-                                .groupTuple()
-                                .map {
-                                    [[id:it[0]], it[1]]
-                                }
-
-    KAIJU_KAIJU2TABLE ( ch_profiles_for_kaiju, ch_input_databases.kaiju.map{it[1]}, params.kaiju_taxon_rank)
-    ch_standardised_tables = ch_standardised_tables.mix( KAIJU_KAIJU2TABLE.out.summary )
-    ch_multiqc_files = ch_multiqc_files.mix( KAIJU_KAIJU2TABLE.out.summary )
-    ch_versions = ch_versions.mix( KAIJU_KAIJU2TABLE.out.versions )
-
     // Kraken2
 
     // Collect and replace id for db_name for prefix

From 4e818efe6d156e9152eea00655aa09d069b0a253 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Thu, 16 Feb 2023 13:45:04 +0100
Subject: [PATCH 655/789] Update docs/output.md

Co-authored-by: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
---
 docs/output.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/output.md b/docs/output.md
index 1a03109..f875c7e 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -344,7 +344,7 @@ The main taxonomic classification files from Centrifuge are the `_combined_repor
 
 </details>
 
-The most useful summary file is the `*kaijutable.txt` file which summarises hits across all treads. However if you wish to look at more precise information on a per-read bases `*tsv` file. The default taxonomic rank is `species`. You can provide a different one by updating the argument `--kaiju_taxon_rank`.
+The most useful summary file is the `*kaijutable.txt` file which summarises hits across all reads. However if you wish to look at more precise information on a per-read basis, see the `*tsv` file. The default taxonomic rank is `species`. You can provide a different one by updating the argument `--kaiju_taxon_rank`.
 
 ### DIAMOND
 

From 7dfcdd015b77c28ff172fcca1f568cdef0574e1e Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 16 Feb 2023 14:02:13 +0100
Subject: [PATCH 656/789] Re-add the 'native' combined kaiju output

---
 conf/modules.config                            | 11 ++++++++++-
 docs/output.md                                 |  3 ++-
 subworkflows/local/profiling.nf                |  5 ++---
 subworkflows/local/standardisation_profiles.nf | 16 ++++++++++++++++
 4 files changed, 30 insertions(+), 5 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 815e216..22001be 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -486,7 +486,7 @@ process {
         ext.args = { "${meta.db_params}" }
     }
 
-    withName: KAIJU_KAIJU2TABLE {
+    withName: '.*PROFILING:KAIJU_KAIJU2TABLE' {
         ext.prefix = params.perform_runmerging ? { "${meta.id}_${meta.db_name}.kaijutable" } : { "${meta.id}_${meta.run_accession}_${meta.db_name}.kaijutable" }
         publishDir = [
             path: { "${params.outdir}/kaiju/${meta.db_name}/" },
@@ -495,6 +495,15 @@ process {
         ]
     }
 
+    withName: '.*STANDARDISATION_PROFILES:KAIJU_KAIJU2TABLE' {
+        ext.prefix = { "kaiju_${meta.id}_combined_reports" }
+        publishDir = [
+            path: { "${params.outdir}/kaiju/" },
+            mode: params.publish_dir_mode,
+            pattern: '*.{txt}'
+        ]
+    }
+
     withName: KAIJU_KAIJU2KRONA {
         ext.args = '-v -u'
     }
diff --git a/docs/output.md b/docs/output.md
index f875c7e..be681bd 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -338,13 +338,14 @@ The main taxonomic classification files from Centrifuge are the `_combined_repor
 <summary>Output files</summary>
 
 - `kaiju`
+  - `kaiju_<db_name>_combined_reports.txt`: A combined profile of all samples aligned to a given database (as generated by kaiju2table)
   - `<db_name>/`
     - `<sample_id>_<db_name>.kaiju.tsv`: Raw output from Kaiju with taxonomic rank, read ID and taxonic ID
     - `<sample_id>_<db_name>.kaijutable.txt`: Summarised Kaiju output with fraction abundance, taxonomic ID, number of reads, and taxonomic names (as generated by `kaiju2table`)
 
 </details>
 
-The most useful summary file is the `*kaijutable.txt` file which summarises hits across all reads. However if you wish to look at more precise information on a per-read basis, see the `*tsv` file. The default taxonomic rank is `species`. You can provide a different one by updating the argument `--kaiju_taxon_rank`.
+The most useful summary file is the `_combined_reports.txt` file which summarises hits across all reads and samples. Separate per-sample versions summaries can be seen in `<db>/*.txt`. However if you wish to look at more precise information on a per-read basis, see the `*tsv` file. The default taxonomic rank is `species`. You can provide a different one by updating the argument `--kaiju_taxon_rank`.
 
 ### DIAMOND
 
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index cbd8071..a55dcaf 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -270,13 +270,12 @@ workflow PROFILING {
 
         KAIJU_KAIJU ( ch_input_for_kaiju.reads, ch_input_for_kaiju.db)
         ch_versions = ch_versions.mix( KAIJU_KAIJU.out.versions.first() )
+        ch_raw_classifications = ch_raw_classifications.mix( KAIJU_KAIJU.out.results )
 
         KAIJU_KAIJU2TABLE ( KAIJU_KAIJU.out.results, ch_input_for_kaiju.db, params.kaiju_taxon_rank)
         ch_versions = ch_versions.mix( KAIJU_KAIJU2TABLE.out.versions )
-
         ch_multiqc_files = ch_multiqc_files.mix( KAIJU_KAIJU2TABLE.out.summary )
-        ch_raw_classifications = ch_raw_classifications.mix( KAIJU_KAIJU2TABLE.out.summary )
-
+        ch_raw_profiles    = ch_raw_profiles.mix( KAIJU_KAIJU2TABLE.out.summary )
     }
 
     if ( params.run_diamond ) {
diff --git a/subworkflows/local/standardisation_profiles.nf b/subworkflows/local/standardisation_profiles.nf
index 303d8fd..582aaed 100644
--- a/subworkflows/local/standardisation_profiles.nf
+++ b/subworkflows/local/standardisation_profiles.nf
@@ -3,6 +3,7 @@
 //
 
 include { BRACKEN_COMBINEBRACKENOUTPUTS                                         } from '../../modules/nf-core/bracken/combinebrackenoutputs/main'
+include { KAIJU_KAIJU2TABLE                                                     } from '../../modules/nf-core/kaiju/kaiju2table/main'
 include { KRAKENTOOLS_COMBINEKREPORTS as KRAKENTOOLS_COMBINEKREPORTS_KRAKEN     } from '../../modules/nf-core/krakentools/combinekreports/main'
 include { KRAKENTOOLS_COMBINEKREPORTS as KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE } from '../../modules/nf-core/krakentools/combinekreports/main'
 include { METAPHLAN3_MERGEMETAPHLANTABLES                                       } from '../../modules/nf-core/metaphlan3/mergemetaphlantables/main'
@@ -78,6 +79,21 @@ workflow STANDARDISATION_PROFILES {
     ch_multiqc_files = ch_multiqc_files.mix( KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE.out.txt )
     ch_versions = ch_versions.mix( KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE.out.versions )
 
+    // Kaiju
+
+    // Collect and replace id for db_name for prefix
+    ch_profiles_for_kaiju = ch_input_classifications.kaiju
+                                .map { [it[0]['db_name'], it[1]] }
+                                .groupTuple()
+                                .map {
+                                    [[id:it[0]], it[1]]
+                                }
+
+    KAIJU_KAIJU2TABLE ( ch_profiles_for_kaiju, ch_input_databases.kaiju.map{it[1]}, params.kaiju_taxon_rank)
+    ch_standardised_tables = ch_standardised_tables.mix( KAIJU_KAIJU2TABLE.out.summary )
+    ch_multiqc_files = ch_multiqc_files.mix( KAIJU_KAIJU2TABLE.out.summary )
+    ch_versions = ch_versions.mix( KAIJU_KAIJU2TABLE.out.versions )
+
     // Kraken2
 
     // Collect and replace id for db_name for prefix

From de6a4214ef78a53d0d39f0226a8c0b65afeecd32 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Thu, 16 Feb 2023 14:29:52 +0100
Subject: [PATCH 657/789] Add taxpasta_merge to taxprofiler

---
 conf/modules.config                           |  15 ++
 conf/test.config                              |   4 +-
 modules.json                                  | 173 +++++++++++++-----
 modules/nf-core/taxpasta/merge/main.nf        |  47 +++++
 modules/nf-core/taxpasta/merge/meta.yml       |  58 ++++++
 nextflow.config                               |  16 +-
 nextflow_schema.json                          |  16 +-
 .../local/standardisation_profiles.nf         |  20 ++
 8 files changed, 302 insertions(+), 47 deletions(-)
 create mode 100644 modules/nf-core/taxpasta/merge/main.nf
 create mode 100644 modules/nf-core/taxpasta/merge/meta.yml

diff --git a/conf/modules.config b/conf/modules.config
index 8ef8728..51b27ad 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -533,6 +533,21 @@ process {
         ]
     }
 
+    withName: TAXPASTA_MERGE {
+        ext.args =  {
+            [
+                "-p ${meta.tool} -o ${meta.tool}_${meta.id}.${params.taxpasta_standardisation_format}",
+                params.taxpasta_add_taxonomy ? "-p" : "",
+                params.taxpasta_add_samplesheet ? "-s" :""
+            ].join(',').replaceAll(','," ")
+            }
+        publishDir = [
+            path: { "${params.outdir}/taxpasta/" },
+            mode: params.publish_dir_mode,
+            pattern: '*.{tsv,csv,arrow,parquet,biom}'
+        ]
+    }
+
     withName: CUSTOM_DUMPSOFTWAREVERSIONS {
         publishDir = [
             path: { "${params.outdir}/pipeline_info" },
diff --git a/conf/test.config b/conf/test.config
index cfd371a..682d087 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -25,7 +25,7 @@ params {
     perform_shortread_qc                  = true
     perform_longread_qc                   = true
     shortread_qc_mergepairs               = true
-    perform_shortread_complexityfilter    = true
+    perform_shortread_complexityfilter    = false
     perform_shortread_hostremoval         = true
     perform_longread_hostremoval          = true
     perform_runmerging                    = true
@@ -44,7 +44,7 @@ params {
     malt_save_reads                       = true
     kraken2_save_reads                    = true
     centrifuge_save_reads                 = true
-    diamond_save_reads                    = true
+    run_profile_standardisation           = true
 }
 
 process {
diff --git a/modules.json b/modules.json
index 2375da6..9b87f43 100644
--- a/modules.json
+++ b/modules.json
@@ -8,212 +8,301 @@
                     "adapterremoval": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "bbmap/bbduk": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "bowtie2/align": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "bowtie2/build": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "bracken/bracken": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "bracken/combinebrackenoutputs": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "cat/fastq": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "centrifuge/centrifuge": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "centrifuge/kreport": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "custom/dumpsoftwareversions": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "diamond/blastx": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "falco": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"],
+                        "installed_by": [
+                            "modules"
+                        ],
                         "patch": "modules/nf-core/falco/falco.diff"
                     },
                     "fastp": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "fastqc": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "filtlong": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "gunzip": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "kaiju/kaiju": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "kaiju/kaiju2krona": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "kaiju/kaiju2table": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "kraken2/kraken2": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "krakentools/combinekreports": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "krakentools/kreport2krona": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "krakenuniq/preloadedkrakenuniq": {
                         "branch": "master",
                         "git_sha": "a6eb17f65b3ee5761c25c075a6166c9f76733cee",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "krona/ktimporttaxonomy": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "krona/ktimporttext": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "malt/run": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "megan/rma2info": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "metaphlan3/mergemetaphlantables": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "metaphlan3/metaphlan3": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "minimap2/align": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "minimap2/index": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "motus/merge": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "motus/profile": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "multiqc": {
                         "branch": "master",
                         "git_sha": "ee80d14721e76e2e079103b8dcd5d57129e584ba",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "porechop/porechop": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"],
+                        "installed_by": [
+                            "modules"
+                        ],
                         "patch": "modules/nf-core/porechop/porechop/porechop-porechop.diff"
                     },
                     "prinseqplusplus": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "samtools/bam2fq": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "samtools/index": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "samtools/stats": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "samtools/view": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
+                    },
+                    "taxpasta/merge": {
+                        "branch": "master",
+                        "git_sha": "74ab450ed05e034d049c00f6e2853de2c31594b4",
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "untar": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     }
                 }
             }
         }
     }
-}
+}
\ No newline at end of file
diff --git a/modules/nf-core/taxpasta/merge/main.nf b/modules/nf-core/taxpasta/merge/main.nf
new file mode 100644
index 0000000..67a6f25
--- /dev/null
+++ b/modules/nf-core/taxpasta/merge/main.nf
@@ -0,0 +1,47 @@
+process TAXPASTA_MERGE {
+    tag "$meta.id"
+    label 'process_single'
+
+    conda "bioconda::taxpasta=0.1.1"
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/taxpasta:0.1.1--pyhdfd78af_0':
+        'quay.io/biocontainers/taxpasta:0.1.1--pyhdfd78af_0' }"
+
+
+    input:
+    tuple val(meta), path(profiles)
+    path taxonomy
+    path samplesheet
+
+    output:
+    tuple val(meta), path("*.{tsv,csv,arrow,parquet,biom}"), emit: merged_profiles
+    path "versions.yml"                                    , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    // N.B.: Taxpasta requires a --profiler option and will fail without it.
+    // This must be specified via a `nextflow.config` or `modules.config`, for
+    // example, as "--profiler kraken2". Additionally, it requires a --output
+    // option with the output file name. The desired format will be parsed from
+    // the name and should correspond to the output pattern specified above,
+    // e.g., "--output ${task.ext.prefix}.tsv".
+    def args = task.ext.args ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    def taxonomy_option = taxonomy ? "--taxonomy ${taxonomy}" : ''
+    def samplesheet_input = samplesheet ? "-s ${samplesheet}" : ''
+    """
+    taxpasta merge \\
+        $args \\
+        $taxonomy_option \\
+        $samplesheet_input \\
+        $profiles
+
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        taxpasta: \$(taxpasta --version)
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/taxpasta/merge/meta.yml b/modules/nf-core/taxpasta/merge/meta.yml
new file mode 100644
index 0000000..79d301f
--- /dev/null
+++ b/modules/nf-core/taxpasta/merge/meta.yml
@@ -0,0 +1,58 @@
+name: "taxpasta_merge"
+description: Standardise and merge two or more taxonomic profiles into a single table
+keywords:
+  - taxonomic profile
+  - standardise
+  - standardisation
+  - metagenomics
+  - taxonomic profiling
+  - otu tables
+  - taxon tables
+tools:
+  - "taxpasta":
+      description: "TAXonomic Profile Aggregation and STAndardisation"
+      homepage: "https://taxpasta.readthedocs.io/"
+      documentation: "https://taxpasta.readthedocs.io/"
+      tool_dev_url: "https://github.com/taxprofiler/taxpasta"
+      doi: ""
+      licence: "['Apache-2.0']"
+
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - profiles:
+      type: file
+      description: A list of taxonomic profiler output files (typically in text format, mandatory)
+      pattern: "*.{tsv,csv,arrow,parquet,biom}"
+  - samplesheet:
+      type: file
+      description:
+        A samplesheet describing the sample name and a filepath to a taxonomic abundance profile that needs to be relative
+        from the work environment. The profiles must be provided even if you give a samplesheet as argument (optional)
+      pattern: "*.{tsv,csv,ods,xlsx,arrow,parquet}"
+  - taxonomy:
+      type: directory
+      description: Directory containing at a minimum nodes.dmp and names.dmp files (optional)
+      pattern: "*/"
+
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+  - merged_profiles:
+      type: file
+      description: Output file with standardised multiple profiles in one go and have all profiles combined into a single table.
+      pattern: "*.{tsv,csv,ods,xlsx,arrow,parquet,biom}"
+
+authors:
+  - "@sofstam"
+  - "@jfy133"
diff --git a/nextflow.config b/nextflow.config
index 45a3cc7..52a72db 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -155,8 +155,11 @@ params {
     krona_taxonomy_directory   = null
 
     // profile standardisation
-    run_profile_standardisation = false
-    generate_biom_output        = false
+    run_profile_standardisation             = false
+    taxpasta_add_taxonomy                   = false
+    taxpasta_add_samplesheet                = false
+    taxpasta_standardisation_format         = 'tsv'
+    generate_biom_output                    = false
 }
 
 // Load base.config by default for all pipelines
@@ -242,6 +245,15 @@ profiles {
         executor.cpus          = 16
         executor.memory        = 60.GB
     }
+    hasta {
+        includeConfig 'conf/hasta.config'
+    }
+    dev_priority {
+        params {
+            priority = 'development'
+            clusterOptions = "--qos=low"
+        }
+     }
     test                    { includeConfig 'conf/test.config'      }
     test_full               { includeConfig 'conf/test_full.config' }
     test_noprofiling        { includeConfig 'conf/test_noprofiling.config' }
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 89cad56..a84a232 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -767,5 +767,19 @@
         {
             "$ref": "#/definitions/reference_genome_options"
         }
-    ]
+    ],
+    "properties": {
+        "add_taxonomy": {
+            "type": "string",
+            "default": "false"
+        },
+        "add_samplesheet": {
+            "type": "string",
+            "default": "false"
+        },
+        "standardisation_taxpasta_format": {
+            "type": "string",
+            "default": "tsv"
+        }
+    }
 }
diff --git a/subworkflows/local/standardisation_profiles.nf b/subworkflows/local/standardisation_profiles.nf
index 582aaed..0a416a9 100644
--- a/subworkflows/local/standardisation_profiles.nf
+++ b/subworkflows/local/standardisation_profiles.nf
@@ -8,6 +8,7 @@ include { KRAKENTOOLS_COMBINEKREPORTS as KRAKENTOOLS_COMBINEKREPORTS_KRAKEN
 include { KRAKENTOOLS_COMBINEKREPORTS as KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE } from '../../modules/nf-core/krakentools/combinekreports/main'
 include { METAPHLAN3_MERGEMETAPHLANTABLES                                       } from '../../modules/nf-core/metaphlan3/mergemetaphlantables/main'
 include { MOTUS_MERGE                                                           } from '../../modules/nf-core/motus/merge/main'
+include { TAXPASTA_MERGE                                                        } from '../../modules/nf-core/taxpasta/merge/main'
 
 workflow STANDARDISATION_PROFILES {
     take:
@@ -21,6 +22,20 @@ workflow STANDARDISATION_PROFILES {
     ch_versions            = Channel.empty()
     ch_multiqc_files       = Channel.empty()
 
+    //Taxpasta standardisation
+    ch_input_for_taxpasta = profiles
+                            .map {
+                                meta, profile ->
+                                    def meta_new = [:]
+                                    meta_new.id = meta.db_name
+                                    meta_new.tool = meta.tool == 'metaphlan3' ? 'metaphlan' : meta.tool == 'malt' ? 'megan6' : meta.tool
+                                    [meta_new, profile]
+                                }
+                                .groupTuple ()
+
+    TAXPASTA_MERGE (ch_input_for_taxpasta, [], [])
+
+
     /*
         Split profile results based on tool they come from
     */
@@ -74,6 +89,8 @@ workflow STANDARDISATION_PROFILES {
                                     [[id:it[0]], it[1]]
                                 }
 
+
+
     KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE ( ch_profiles_for_centrifuge )
     ch_standardised_tables = ch_standardised_tables.mix( KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE.out.txt )
     ch_multiqc_files = ch_multiqc_files.mix( KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE.out.txt )
@@ -125,6 +142,8 @@ workflow STANDARDISATION_PROFILES {
     ch_multiqc_files = ch_multiqc_files.mix( METAPHLAN3_MERGEMETAPHLANTABLES.out.txt )
     ch_versions = ch_versions.mix( METAPHLAN3_MERGEMETAPHLANTABLES.out.versions )
 
+    ch_standardised_tables.dump (tag: 'standardised')
+
     // mOTUs
 
     // mOTUs has a 'single' database, and cannot create custom ones.
@@ -149,6 +168,7 @@ workflow STANDARDISATION_PROFILES {
 
     emit:
     tables   = ch_standardised_tables
+    taxpasta = TAXPASTA_MERGE.out.merged_profiles
     versions = ch_versions
     mqc      = ch_multiqc_files
 }

From 25d44c955e9d8d4e3050e6ed189710a1f8e23fde Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Thu, 16 Feb 2023 15:16:05 +0100
Subject: [PATCH 658/789] Merge dev into add_taxpasta_merge

---
 nextflow.config | 9 ---------
 1 file changed, 9 deletions(-)

diff --git a/nextflow.config b/nextflow.config
index 52a72db..9d3af4c 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -245,15 +245,6 @@ profiles {
         executor.cpus          = 16
         executor.memory        = 60.GB
     }
-    hasta {
-        includeConfig 'conf/hasta.config'
-    }
-    dev_priority {
-        params {
-            priority = 'development'
-            clusterOptions = "--qos=low"
-        }
-     }
     test                    { includeConfig 'conf/test.config'      }
     test_full               { includeConfig 'conf/test_full.config' }
     test_noprofiling        { includeConfig 'conf/test_noprofiling.config' }

From dad64a688dc9a0858d7d38787bc57468f81834d6 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Thu, 16 Feb 2023 16:33:36 +0100
Subject: [PATCH 659/789] Add documentation for taxpasta module

---
 docs/output.md       |  24 ++++++
 modules.json         | 170 +++++++++++--------------------------------
 nextflow_schema.json |  31 ++++----
 3 files changed, 83 insertions(+), 142 deletions(-)

diff --git a/docs/output.md b/docs/output.md
index be681bd..4ffad3f 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -33,6 +33,7 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d
 - [MALT](#malt) - Sequence alignment and analysis tool designed for processing high-throughput sequencing data, especially in the context of metagenomics
 - [MetaPhlAn3](#metaphlan3) - Genome-level marker gene based taxonomic classifier
 - [mOTUs](#motus) - Tool for marker gene-based OTU (mOTU) profiling.
+- [TAXPASTA](#taxpasta) -  Tool to standardise taxonomic profiles as well as merge profiles across samples for the same classifier/profiler.
 - [MultiQC](#multiqc) - Aggregate report describing results and QC from the whole pipeline
 - [Pipeline information](#pipeline-information) - Report metrics generated during the workflow execution
 
@@ -435,6 +436,29 @@ Krona charts will be generated by the pipeline for supported tools (Kraken2, Cen
 
 The resulting HTML files can be loaded into your web browser for exploration. Each file will have a dropdown to allow you to switch between each sample aligned against the given database of the tool.
 
+### TAXPASTA
+
+[TAXPASTA](https://github.com/taxprofiler/taxpasta) is a python package added as a module in nf-core/taxprofiler that can standardise and merge two or more taxonomic profiles across samples into one single table..
+
+<details markdown="1">
+<summary>Output files</summary>
+
+- `taxpasta`
+  - `<db_name>.<sample_id>*.{tsv,csv,arrow,parquet,biom}`: A list of taxonomic profiler output files. The standard format is the `tsv`. The first column describes the taxonomy ID and the rest of the columns describe the read counts for each sample.
+</details>
+
+The following report files are used for the taxpasta step:
+
+- Bracken: `<sample>_<db_name>.tsv`
+- Centrifuge: `<sample_id>.centrifuge.txt`
+- Diamond: `<sample_id>`
+- Kaiju: `<sample_id>_<db_name>.kaijutable.txt`
+- KrakenUniq: `<sample_id>_<db_name>.report.txt`
+- Kraken2: `<sample_id>_<db_name>.report.txt`
+- MALT: `<sample_id>.txt.gz`
+- MetaPhlAn3: `<sample_id>_profile.txt`
+- mOTUs: `<sample_id>.out`
+
 ### MultiQC
 
 <details markdown="1">
diff --git a/modules.json b/modules.json
index 9b87f43..5b07b07 100644
--- a/modules.json
+++ b/modules.json
@@ -8,301 +8,217 @@
                     "adapterremoval": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "bbmap/bbduk": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "bowtie2/align": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "bowtie2/build": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "bracken/bracken": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "bracken/combinebrackenoutputs": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "cat/fastq": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "centrifuge/centrifuge": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "centrifuge/kreport": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "custom/dumpsoftwareversions": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "diamond/blastx": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "falco": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ],
+                        "installed_by": ["modules"],
                         "patch": "modules/nf-core/falco/falco.diff"
                     },
                     "fastp": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "fastqc": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "filtlong": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "gunzip": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "kaiju/kaiju": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "kaiju/kaiju2krona": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "kaiju/kaiju2table": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "kraken2/kraken2": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "krakentools/combinekreports": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "krakentools/kreport2krona": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "krakenuniq/preloadedkrakenuniq": {
                         "branch": "master",
                         "git_sha": "a6eb17f65b3ee5761c25c075a6166c9f76733cee",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "krona/ktimporttaxonomy": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "krona/ktimporttext": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "malt/run": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "megan/rma2info": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "metaphlan3/mergemetaphlantables": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "metaphlan3/metaphlan3": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "minimap2/align": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "minimap2/index": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "motus/merge": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "motus/profile": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "multiqc": {
                         "branch": "master",
                         "git_sha": "ee80d14721e76e2e079103b8dcd5d57129e584ba",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "porechop/porechop": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ],
+                        "installed_by": ["modules"],
                         "patch": "modules/nf-core/porechop/porechop/porechop-porechop.diff"
                     },
                     "prinseqplusplus": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "samtools/bam2fq": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "samtools/index": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "samtools/stats": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "samtools/view": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "taxpasta/merge": {
                         "branch": "master",
                         "git_sha": "74ab450ed05e034d049c00f6e2853de2c31594b4",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "untar": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     }
                 }
             }
         }
     }
-}
\ No newline at end of file
+}
diff --git a/nextflow_schema.json b/nextflow_schema.json
index a84a232..b17094f 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -509,6 +509,21 @@
                     "fa_icon": "fas fa-folder-open",
                     "description": "Specify path to krona taxonomy directories (required for MALT krona plots)",
                     "help_text": "Specify a path to a Krona taxonomy database directory (i.e. a directory containing a krona generated `.tab` file).\n\nThis is only required for generating Krona plots of MALT output.\n\nNote this taxonomy database must be downloaded and generated with the `updateTaxonomy.sh` script from the krona-tools package."
+                },
+                "taxpasta_add_taxonomy": {
+                    "type": "boolean",
+                    "description": "The path to a directory  containing taxdump files.",
+                    "help_text": "At least nodes.dmp and names.dmp are required. A merged.dmp file is optional."
+                },
+                "taxpasta_add_samplesheet": {
+                    "type": "boolean",
+                    "description": "A table with with two columns, one for the sample and one for  the taxonomic profile.",
+                    "help_text": "If this option is provided, any arguments are ignored."
+                },
+                "taxpasta_standardisation_format": {
+                    "type": "string",
+                    "default": "tsv",
+                    "description": "The desired output format."
                 }
             },
             "fa_icon": "fas fa-chart-line"
@@ -767,19 +782,5 @@
         {
             "$ref": "#/definitions/reference_genome_options"
         }
-    ],
-    "properties": {
-        "add_taxonomy": {
-            "type": "string",
-            "default": "false"
-        },
-        "add_samplesheet": {
-            "type": "string",
-            "default": "false"
-        },
-        "standardisation_taxpasta_format": {
-            "type": "string",
-            "default": "tsv"
-        }
-    }
+    ]
 }

From c9b521234bab8db27946181ea114f11bfe3e330d Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Thu, 16 Feb 2023 16:38:00 +0100
Subject: [PATCH 660/789] Prettier for docs

---
 docs/output.md | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/docs/output.md b/docs/output.md
index 4ffad3f..fb1f728 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -33,7 +33,7 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d
 - [MALT](#malt) - Sequence alignment and analysis tool designed for processing high-throughput sequencing data, especially in the context of metagenomics
 - [MetaPhlAn3](#metaphlan3) - Genome-level marker gene based taxonomic classifier
 - [mOTUs](#motus) - Tool for marker gene-based OTU (mOTU) profiling.
-- [TAXPASTA](#taxpasta) -  Tool to standardise taxonomic profiles as well as merge profiles across samples for the same classifier/profiler.
+- [TAXPASTA](#taxpasta) - Tool to standardise taxonomic profiles as well as merge profiles across samples for the same classifier/profiler.
 - [MultiQC](#multiqc) - Aggregate report describing results and QC from the whole pipeline
 - [Pipeline information](#pipeline-information) - Report metrics generated during the workflow execution
 
@@ -445,7 +445,7 @@ The resulting HTML files can be loaded into your web browser for exploration. Ea
 
 - `taxpasta`
   - `<db_name>.<sample_id>*.{tsv,csv,arrow,parquet,biom}`: A list of taxonomic profiler output files. The standard format is the `tsv`. The first column describes the taxonomy ID and the rest of the columns describe the read counts for each sample.
-</details>
+  </details>
 
 The following report files are used for the taxpasta step:
 

From 27b7171b96703129e1b2357db2f4d87febfab5a6 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Fri, 17 Feb 2023 09:16:58 +0100
Subject: [PATCH 661/789] Apply review suggestions

---
 conf/modules.config                            | 2 +-
 conf/test.config                               | 2 +-
 docs/output.md                                 | 4 ++--
 nextflow_schema.json                           | 3 ++-
 subworkflows/local/standardisation_profiles.nf | 2 --
 5 files changed, 6 insertions(+), 7 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 6aaa379..4a1fba2 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -548,7 +548,7 @@ process {
                 "-p ${meta.tool} -o ${meta.tool}_${meta.id}.${params.taxpasta_standardisation_format}",
                 params.taxpasta_add_taxonomy ? "-p" : "",
                 params.taxpasta_add_samplesheet ? "-s" :""
-            ].join(',').replaceAll(','," ")
+            ].join(' ').trim()
             }
         publishDir = [
             path: { "${params.outdir}/taxpasta/" },
diff --git a/conf/test.config b/conf/test.config
index 682d087..925987e 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -33,7 +33,7 @@ params {
     run_kaiju                             = true
     run_kraken2                           = true
     run_bracken                           = true
-    run_malt                              = false
+    run_malt                              = true
     run_metaphlan3                        = true
     run_centrifuge                        = true
     run_diamond                           = true
diff --git a/docs/output.md b/docs/output.md
index fb1f728..3da9b22 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -33,7 +33,7 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d
 - [MALT](#malt) - Sequence alignment and analysis tool designed for processing high-throughput sequencing data, especially in the context of metagenomics
 - [MetaPhlAn3](#metaphlan3) - Genome-level marker gene based taxonomic classifier
 - [mOTUs](#motus) - Tool for marker gene-based OTU (mOTU) profiling.
-- [TAXPASTA](#taxpasta) - Tool to standardise taxonomic profiles as well as merge profiles across samples for the same classifier/profiler.
+- [TAXPASTA](#taxpasta) - Tool to standardise taxonomic profiles as well as merge profiles across samples from the same database and classifier/profiler.
 - [MultiQC](#multiqc) - Aggregate report describing results and QC from the whole pipeline
 - [Pipeline information](#pipeline-information) - Report metrics generated during the workflow execution
 
@@ -438,7 +438,7 @@ The resulting HTML files can be loaded into your web browser for exploration. Ea
 
 ### TAXPASTA
 
-[TAXPASTA](https://github.com/taxprofiler/taxpasta) is a python package added as a module in nf-core/taxprofiler that can standardise and merge two or more taxonomic profiles across samples into one single table..
+[TAXPASTA](https://github.com/taxprofiler/taxpasta) that standardises and merge two or more taxonomic profiles across samples into one single table. It supports multiple different classifiers simplifying taxonomic classification results between tools and databases.
 
 <details markdown="1">
 <summary>Output files</summary>
diff --git a/nextflow_schema.json b/nextflow_schema.json
index b17094f..a6eb0a8 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -523,7 +523,8 @@
                 "taxpasta_standardisation_format": {
                     "type": "string",
                     "default": "tsv",
-                    "description": "The desired output format."
+                    "description": "The desired output format.",
+                    "enum": ["tsv", "csv", "arrow", "parquet", "biom"]
                 }
             },
             "fa_icon": "fas fa-chart-line"
diff --git a/subworkflows/local/standardisation_profiles.nf b/subworkflows/local/standardisation_profiles.nf
index 0a416a9..d928263 100644
--- a/subworkflows/local/standardisation_profiles.nf
+++ b/subworkflows/local/standardisation_profiles.nf
@@ -90,7 +90,6 @@ workflow STANDARDISATION_PROFILES {
                                 }
 
 
-
     KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE ( ch_profiles_for_centrifuge )
     ch_standardised_tables = ch_standardised_tables.mix( KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE.out.txt )
     ch_multiqc_files = ch_multiqc_files.mix( KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE.out.txt )
@@ -142,7 +141,6 @@ workflow STANDARDISATION_PROFILES {
     ch_multiqc_files = ch_multiqc_files.mix( METAPHLAN3_MERGEMETAPHLANTABLES.out.txt )
     ch_versions = ch_versions.mix( METAPHLAN3_MERGEMETAPHLANTABLES.out.versions )
 
-    ch_standardised_tables.dump (tag: 'standardised')
 
     // mOTUs
 

From 5ebc22dd29b992495fcaf42511b1038f84d6e78a Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Fri, 17 Feb 2023 12:58:33 +0100
Subject: [PATCH 662/789] Add icon in nextflow_schema.json

---
 nextflow_schema.json | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index a6eb0a8..80ba987 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -524,7 +524,8 @@
                     "type": "string",
                     "default": "tsv",
                     "description": "The desired output format.",
-                    "enum": ["tsv", "csv", "arrow", "parquet", "biom"]
+                    "enum": ["tsv", "csv", "arrow", "parquet", "biom"],
+                    "fa_icon": "fas fa-file"
                 }
             },
             "fa_icon": "fas fa-chart-line"

From 08bfa6a1a73970bf986cf2be312565d029cbbb6a Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Fri, 17 Feb 2023 13:43:38 +0100
Subject: [PATCH 663/789] Apply review suggestions for docs

---
 docs/output.md | 18 +++++++++---------
 1 file changed, 9 insertions(+), 9 deletions(-)

diff --git a/docs/output.md b/docs/output.md
index 3da9b22..284e55b 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -449,15 +449,15 @@ The resulting HTML files can be loaded into your web browser for exploration. Ea
 
 The following report files are used for the taxpasta step:
 
-- Bracken: `<sample>_<db_name>.tsv`
-- Centrifuge: `<sample_id>.centrifuge.txt`
-- Diamond: `<sample_id>`
-- Kaiju: `<sample_id>_<db_name>.kaijutable.txt`
-- KrakenUniq: `<sample_id>_<db_name>.report.txt`
-- Kraken2: `<sample_id>_<db_name>.report.txt`
-- MALT: `<sample_id>.txt.gz`
-- MetaPhlAn3: `<sample_id>_profile.txt`
-- mOTUs: `<sample_id>.out`
+- Bracken: `<sample>_<db_name>.tsv` Taxpasta used the `new_est_reads` column for the standardised profile.
+- Centrifuge: `<sample_id>.centrifuge.txt` Taxpasta uses the `direct_assigned_reads` column for the standardised profile.
+- Diamond: `<sample_id>` Taxpasta summarises number of reads per NCBI taxonomy ID standardised profile.
+- Kaiju: `<sample_id>_<db_name>.kaijutable.txt` Taxpasta uses the `reads` column from kaiju2table standardised profile.
+- KrakenUniq: `<sample_id>_<db_name>.report.txt` Taxpasta uses the `reads` column for the standardised profile.
+- Kraken2: `<sample_id>_<db_name>.report.txt` Taxpasta uses the `direct_assigned_reads` column for the standardised profile.
+- MALT: `<sample_id>.txt.gz` Taxpasta uses the `count` (second) column from the output of MEGAN6's rma2info for the standardised profile.
+- MetaPhlAn3: `<sample_id>_profile.txt` Taxpasta uses the `relative_abundance` column multiplied with a fixed number to yield an integer for the standardised profile.
+- mOTUs: `<sample_id>.out` Taxpasta uses the `read_count` column for the standardised profile.
 
 ### MultiQC
 

From 604df56fdbf80bf6e079b75c4e2a1b4901ebd9af Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Fri, 17 Feb 2023 13:49:13 +0100
Subject: [PATCH 664/789] Add a description about the files used by taxpasta

---
 docs/output.md | 6 +++++-
 1 file changed, 5 insertions(+), 1 deletion(-)

diff --git a/docs/output.md b/docs/output.md
index 284e55b..9a7518d 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -444,9 +444,13 @@ The resulting HTML files can be loaded into your web browser for exploration. Ea
 <summary>Output files</summary>
 
 - `taxpasta`
-  - `<db_name>.<sample_id>*.{tsv,csv,arrow,parquet,biom}`: A list of taxonomic profiler output files. The standard format is the `tsv`. The first column describes the taxonomy ID and the rest of the columns describe the read counts for each sample.
+
+  - `<tool>_<database>*.{tsv,csv,arrow,parquet,biom}`: Standardised taxon table containing multiple samples. The standard format is the `tsv`. The first column describes the taxonomy ID and the rest of the columns describe the read counts for each sample.
+
   </details>
 
+These files will likely be the most useful files for the comparison of differences in classification between different tools or building consensuses, with the caveat they have slightly less information than the actual output from each tool (which may have non-standard information e.g. taxonomic rank, percentage of hits, abundance estimations).
+
 The following report files are used for the taxpasta step:
 
 - Bracken: `<sample>_<db_name>.tsv` Taxpasta used the `new_est_reads` column for the standardised profile.

From f0aa89cb877513034e7202f6a977f5f79a86f0df Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Fri, 17 Feb 2023 14:47:29 +0100
Subject: [PATCH 665/789] Rename taxpasta parameters and remove samplesheet
 parameter

---
 conf/modules.config  |  7 +++----
 nextflow.config      |  7 +++----
 nextflow_schema.json | 25 ++++++++++---------------
 3 files changed, 16 insertions(+), 23 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 4a1fba2..0bab02b 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -534,7 +534,7 @@ process {
     }
 
     withName: MOTUS_MERGE {
-        ext.args = { params.generate_biom_output ? "-B" : "" }
+        ext.args = { params.standardisation_motus_generatebiom ? "-B" : "" }
         ext.prefix = { "motus_${meta.id}_combined_reports" }
         publishDir = [
             path: { "${params.outdir}/motus/" },
@@ -545,9 +545,8 @@ process {
     withName: TAXPASTA_MERGE {
         ext.args =  {
             [
-                "-p ${meta.tool} -o ${meta.tool}_${meta.id}.${params.taxpasta_standardisation_format}",
-                params.taxpasta_add_taxonomy ? "-p" : "",
-                params.taxpasta_add_samplesheet ? "-s" :""
+                "-p ${meta.tool} -o ${meta.tool}_${meta.id}.${params.standardisation_taxpasta_format}",
+                params.standardisation_taxpasta_addtaxonomy ? "-p" : ""
             ].join(' ').trim()
             }
         publishDir = [
diff --git a/nextflow.config b/nextflow.config
index 9d3af4c..34e8b00 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -156,10 +156,9 @@ params {
 
     // profile standardisation
     run_profile_standardisation             = false
-    taxpasta_add_taxonomy                   = false
-    taxpasta_add_samplesheet                = false
-    taxpasta_standardisation_format         = 'tsv'
-    generate_biom_output                    = false
+    standardisation_taxpasta_addtaxonomy    = false
+    standardisation_taxpasta_format         = 'tsv'
+    standardisation_motus_generatebiom      = false
 }
 
 // Load base.config by default for all pipelines
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 80ba987..a7a1b4d 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -491,11 +491,11 @@
                     "description": "Turn on standardisation of taxon tables across profilers",
                     "help_text": "Turns on standardisation of output OTU tables across all tools; each into a TSV format following the following scheme:\n\n|TAXON   | SAMPLE_A | SAMPLE_B |\n|-------------|----------------|-----------------|\n| taxon_a | 32               | 123             |\n| taxon_b | 1                 | 5                 |\n\nThis currently only is generated for mOTUs."
                 },
-                "generate_biom_output": {
+                "standardisation_motus_generatebiom": {
                     "type": "boolean",
                     "fa_icon": "fas fa-toggle-on",
                     "description": "Turn on generation of BIOM output (currently only applies to mOTUs)",
-                    "help_text": "Turn on the saving of the taxonomic output in BIOM format (`.biom`) in the results directory of your pipeline run, instead of the default TSV format.\n\nNote this file is from the output of the `motus merge` command.\n\n> Modifies tool parameter(s):\n> - `-B -o`"
+                    "help_text": "Turn on the saving of the taxonomic output in BIOM format (`.biom`) in the results directory of your pipeline run, instead of the default TSV format.\\n\\nNote this file is from the output of the `motus merge` command.\\n\\n> Modifies tool parameter(s):\\n> - `-B -o`"
                 },
                 "run_krona": {
                     "type": "boolean",
@@ -510,22 +510,17 @@
                     "description": "Specify path to krona taxonomy directories (required for MALT krona plots)",
                     "help_text": "Specify a path to a Krona taxonomy database directory (i.e. a directory containing a krona generated `.tab` file).\n\nThis is only required for generating Krona plots of MALT output.\n\nNote this taxonomy database must be downloaded and generated with the `updateTaxonomy.sh` script from the krona-tools package."
                 },
-                "taxpasta_add_taxonomy": {
-                    "type": "boolean",
-                    "description": "The path to a directory  containing taxdump files.",
-                    "help_text": "At least nodes.dmp and names.dmp are required. A merged.dmp file is optional."
-                },
-                "taxpasta_add_samplesheet": {
-                    "type": "boolean",
-                    "description": "A table with with two columns, one for the sample and one for  the taxonomic profile.",
-                    "help_text": "If this option is provided, any arguments are ignored."
-                },
-                "taxpasta_standardisation_format": {
+                "standardisation_taxpasta_format": {
                     "type": "string",
                     "default": "tsv",
+                    "fa_icon": "fas fa-file",
                     "description": "The desired output format.",
-                    "enum": ["tsv", "csv", "arrow", "parquet", "biom"],
-                    "fa_icon": "fas fa-file"
+                    "enum": ["tsv", "csv", "arrow", "parquet", "biom"]
+                },
+                "standardisation_taxpasta_addtaxonomy": {
+                    "type": "boolean",
+                    "description": "The path to a directory containing taxdump files, typically from NCBI.",
+                    "help_text": "At least nodes.dmp and names.dmp are required. A merged.dmp file is optional."
                 }
             },
             "fa_icon": "fas fa-chart-line"

From 90a5668007b84a5ece6fa85b2385514c4cd7790d Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Fri, 17 Feb 2023 15:38:36 +0100
Subject: [PATCH 666/789] run_malt false in test and add text in output.md

---
 conf/test.config                               | 4 ++--
 docs/output.md                                 | 2 ++
 subworkflows/local/standardisation_profiles.nf | 1 -
 3 files changed, 4 insertions(+), 3 deletions(-)

diff --git a/conf/test.config b/conf/test.config
index 925987e..c80533a 100644
--- a/conf/test.config
+++ b/conf/test.config
@@ -25,7 +25,7 @@ params {
     perform_shortread_qc                  = true
     perform_longread_qc                   = true
     shortread_qc_mergepairs               = true
-    perform_shortread_complexityfilter    = false
+    perform_shortread_complexityfilter    = true
     perform_shortread_hostremoval         = true
     perform_longread_hostremoval          = true
     perform_runmerging                    = true
@@ -33,7 +33,7 @@ params {
     run_kaiju                             = true
     run_kraken2                           = true
     run_bracken                           = true
-    run_malt                              = true
+    run_malt                              = false
     run_metaphlan3                        = true
     run_centrifuge                        = true
     run_diamond                           = true
diff --git a/docs/output.md b/docs/output.md
index 9a7518d..1e39576 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -463,6 +463,8 @@ The following report files are used for the taxpasta step:
 - MetaPhlAn3: `<sample_id>_profile.txt` Taxpasta uses the `relative_abundance` column multiplied with a fixed number to yield an integer for the standardised profile.
 - mOTUs: `<sample_id>.out` Taxpasta uses the `read_count` column for the standardised profile.
 
+Please aware the outputs of each tool's standardised profile _may not_ be directly comparable between each tool. Some may report raw read counts, whereas others may report abundance information. Please always refer to the list above, for which information is used for each tool.
+
 ### MultiQC
 
 <details markdown="1">
diff --git a/subworkflows/local/standardisation_profiles.nf b/subworkflows/local/standardisation_profiles.nf
index d928263..de58622 100644
--- a/subworkflows/local/standardisation_profiles.nf
+++ b/subworkflows/local/standardisation_profiles.nf
@@ -141,7 +141,6 @@ workflow STANDARDISATION_PROFILES {
     ch_multiqc_files = ch_multiqc_files.mix( METAPHLAN3_MERGEMETAPHLANTABLES.out.txt )
     ch_versions = ch_versions.mix( METAPHLAN3_MERGEMETAPHLANTABLES.out.versions )
 
-
     // mOTUs
 
     // mOTUs has a 'single' database, and cannot create custom ones.

From 211b5f3a6802f41d47e23c4840eaf116299a367c Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Mon, 20 Feb 2023 11:49:31 +0100
Subject: [PATCH 667/789] Apply review suggestions

---
 docs/output.md | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/docs/output.md b/docs/output.md
index 1e39576..85b163c 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -438,7 +438,7 @@ The resulting HTML files can be loaded into your web browser for exploration. Ea
 
 ### TAXPASTA
 
-[TAXPASTA](https://github.com/taxprofiler/taxpasta) that standardises and merge two or more taxonomic profiles across samples into one single table. It supports multiple different classifiers simplifying taxonomic classification results between tools and databases.
+[TAXPASTA](https://github.com/taxprofiler/taxpasta) standardises and merges two or more taxonomic profiles across samples into one single table. It supports multiple different classifiers simplifying comparison of taxonomic classification results between tools and databases.
 
 <details markdown="1">
 <summary>Output files</summary>
@@ -463,7 +463,7 @@ The following report files are used for the taxpasta step:
 - MetaPhlAn3: `<sample_id>_profile.txt` Taxpasta uses the `relative_abundance` column multiplied with a fixed number to yield an integer for the standardised profile.
 - mOTUs: `<sample_id>.out` Taxpasta uses the `read_count` column for the standardised profile.
 
-Please aware the outputs of each tool's standardised profile _may not_ be directly comparable between each tool. Some may report raw read counts, whereas others may report abundance information. Please always refer to the list above, for which information is used for each tool.
+> ⚠️ Please aware the outputs of each tool's standardised profile _may not_ be directly comparable between each tool. Some may report raw read counts, whereas others may report abundance information. Please always refer to the list above, for which information is used for each tool.
 
 ### MultiQC
 

From 04bc978ef67af53b36dff02308893c1525f7f47f Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Mon, 20 Feb 2023 11:56:06 +0100
Subject: [PATCH 668/789] Remove taxonomy parameter from taxpasta

---
 conf/modules.config  | 7 +------
 nextflow.config      | 1 -
 nextflow_schema.json | 5 -----
 3 files changed, 1 insertion(+), 12 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 0bab02b..605a7c5 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -543,12 +543,7 @@ process {
     }
 
     withName: TAXPASTA_MERGE {
-        ext.args =  {
-            [
-                "-p ${meta.tool} -o ${meta.tool}_${meta.id}.${params.standardisation_taxpasta_format}",
-                params.standardisation_taxpasta_addtaxonomy ? "-p" : ""
-            ].join(' ').trim()
-            }
+        ext.args =  { "-p ${meta.tool} -o ${meta.tool}_${meta.id}.${params.standardisation_taxpasta_format}" }
         publishDir = [
             path: { "${params.outdir}/taxpasta/" },
             mode: params.publish_dir_mode,
diff --git a/nextflow.config b/nextflow.config
index 34e8b00..9228d67 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -156,7 +156,6 @@ params {
 
     // profile standardisation
     run_profile_standardisation             = false
-    standardisation_taxpasta_addtaxonomy    = false
     standardisation_taxpasta_format         = 'tsv'
     standardisation_motus_generatebiom      = false
 }
diff --git a/nextflow_schema.json b/nextflow_schema.json
index a7a1b4d..5871862 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -516,11 +516,6 @@
                     "fa_icon": "fas fa-file",
                     "description": "The desired output format.",
                     "enum": ["tsv", "csv", "arrow", "parquet", "biom"]
-                },
-                "standardisation_taxpasta_addtaxonomy": {
-                    "type": "boolean",
-                    "description": "The path to a directory containing taxdump files, typically from NCBI.",
-                    "help_text": "At least nodes.dmp and names.dmp are required. A merged.dmp file is optional."
                 }
             },
             "fa_icon": "fas fa-chart-line"

From 3fa1b0c17d8a023184edad1325e1c42518f189ce Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Mon, 20 Feb 2023 13:48:04 +0100
Subject: [PATCH 669/789] Remove standardised_tables

---
 subworkflows/local/standardisation_profiles.nf | 13 -------------
 1 file changed, 13 deletions(-)

diff --git a/subworkflows/local/standardisation_profiles.nf b/subworkflows/local/standardisation_profiles.nf
index de58622..2506680 100644
--- a/subworkflows/local/standardisation_profiles.nf
+++ b/subworkflows/local/standardisation_profiles.nf
@@ -18,7 +18,6 @@ workflow STANDARDISATION_PROFILES {
     motu_version
 
     main:
-    ch_standardised_tables = Channel.empty()
     ch_versions            = Channel.empty()
     ch_multiqc_files       = Channel.empty()
 
@@ -91,7 +90,6 @@ workflow STANDARDISATION_PROFILES {
 
 
     KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE ( ch_profiles_for_centrifuge )
-    ch_standardised_tables = ch_standardised_tables.mix( KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE.out.txt )
     ch_multiqc_files = ch_multiqc_files.mix( KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE.out.txt )
     ch_versions = ch_versions.mix( KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE.out.versions )
 
@@ -106,7 +104,6 @@ workflow STANDARDISATION_PROFILES {
                                 }
 
     KAIJU_KAIJU2TABLE ( ch_profiles_for_kaiju, ch_input_databases.kaiju.map{it[1]}, params.kaiju_taxon_rank)
-    ch_standardised_tables = ch_standardised_tables.mix( KAIJU_KAIJU2TABLE.out.summary )
     ch_multiqc_files = ch_multiqc_files.mix( KAIJU_KAIJU2TABLE.out.summary )
     ch_versions = ch_versions.mix( KAIJU_KAIJU2TABLE.out.versions )
 
@@ -123,7 +120,6 @@ workflow STANDARDISATION_PROFILES {
                                 }
 
     KRAKENTOOLS_COMBINEKREPORTS_KRAKEN ( ch_profiles_for_kraken2 )
-    ch_standardised_tables = ch_standardised_tables.mix( KRAKENTOOLS_COMBINEKREPORTS_KRAKEN.out.txt )
     ch_multiqc_files = ch_multiqc_files.mix( KRAKENTOOLS_COMBINEKREPORTS_KRAKEN.out.txt )
     ch_versions = ch_versions.mix( KRAKENTOOLS_COMBINEKREPORTS_KRAKEN.out.versions )
 
@@ -137,7 +133,6 @@ workflow STANDARDISATION_PROFILES {
                             }
 
     METAPHLAN3_MERGEMETAPHLANTABLES ( ch_profiles_for_metaphlan3 )
-    ch_standardised_tables = ch_standardised_tables.mix( METAPHLAN3_MERGEMETAPHLANTABLES.out.txt )
     ch_multiqc_files = ch_multiqc_files.mix( METAPHLAN3_MERGEMETAPHLANTABLES.out.txt )
     ch_versions = ch_versions.mix( METAPHLAN3_MERGEMETAPHLANTABLES.out.versions )
 
@@ -156,15 +151,7 @@ workflow STANDARDISATION_PROFILES {
 
     MOTUS_MERGE ( ch_profiles_for_motus, ch_input_databases.motus.map{it[1]}, motu_version )
 
-    if ( params.generate_biom_output ) {
-        ch_standardised_tables = ch_standardised_tables.mix ( MOTUS_MERGE.out.biom )
-    } else {
-        ch_standardised_tables = ch_standardised_tables.mix ( MOTUS_MERGE.out.txt )
-    }
-    ch_versions = ch_versions.mix( MOTUS_MERGE.out.versions )
-
     emit:
-    tables   = ch_standardised_tables
     taxpasta = TAXPASTA_MERGE.out.merged_profiles
     versions = ch_versions
     mqc      = ch_multiqc_files

From 90aa7551a9b56040eb04cb4cc1f9f0d5cbac2bd9 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Mon, 20 Feb 2023 14:27:57 +0100
Subject: [PATCH 670/789] Fix the motus_versions

---
 subworkflows/local/standardisation_profiles.nf | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/subworkflows/local/standardisation_profiles.nf b/subworkflows/local/standardisation_profiles.nf
index 2506680..2c6a591 100644
--- a/subworkflows/local/standardisation_profiles.nf
+++ b/subworkflows/local/standardisation_profiles.nf
@@ -150,7 +150,8 @@ workflow STANDARDISATION_PROFILES {
                                 }
 
     MOTUS_MERGE ( ch_profiles_for_motus, ch_input_databases.motus.map{it[1]}, motu_version )
-
+    ch_versions = ch_versions.mix( MOTUS_MERGE.out.versions )
+    
     emit:
     taxpasta = TAXPASTA_MERGE.out.merged_profiles
     versions = ch_versions

From 9847b8d9a73a2407bfdc3ee7605a17de1dda61dc Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Mon, 20 Feb 2023 20:35:22 +0100
Subject: [PATCH 671/789] Fix label base.config for MEGAN_RMA2INFO

---
 conf/base.config | 7 ++++++-
 1 file changed, 6 insertions(+), 1 deletion(-)

diff --git a/conf/base.config b/conf/base.config
index c06d231..7470db1 100644
--- a/conf/base.config
+++ b/conf/base.config
@@ -62,7 +62,12 @@ process {
     withName:CUSTOM_DUMPSOFTWAREVERSIONS {
         cache = false
     }
-    withName: RMA2INFO {
+    withName: MEGAN_RMA2INFO_TSV {
+        cpus   = { check_max( 1                  , 'cpus'    ) }
+        memory = { check_max( 6.GB * task.attempt, 'memory'  ) }
+        time   = { check_max( 4.h  * task.attempt, 'time'    ) }
+    }
+    withName: MEGAN_RMA2INFO_KRONA {
         cpus   = { check_max( 1                  , 'cpus'    ) }
         memory = { check_max( 6.GB * task.attempt, 'memory'  ) }
         time   = { check_max( 4.h  * task.attempt, 'time'    ) }

From 32c0d8d6a5ac86475b86f79aa96a373aa14e32a4 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Wed, 22 Feb 2023 08:24:48 +0100
Subject: [PATCH 672/789] Fix KrakenUniq Taxpasta issue

---
 subworkflows/local/standardisation_profiles.nf | 16 ++++++++--------
 1 file changed, 8 insertions(+), 8 deletions(-)

diff --git a/subworkflows/local/standardisation_profiles.nf b/subworkflows/local/standardisation_profiles.nf
index 2c6a591..ce1ef23 100644
--- a/subworkflows/local/standardisation_profiles.nf
+++ b/subworkflows/local/standardisation_profiles.nf
@@ -24,17 +24,17 @@ workflow STANDARDISATION_PROFILES {
     //Taxpasta standardisation
     ch_input_for_taxpasta = profiles
                             .map {
-                                meta, profile ->
-                                    def meta_new = [:]
-                                    meta_new.id = meta.db_name
-                                    meta_new.tool = meta.tool == 'metaphlan3' ? 'metaphlan' : meta.tool == 'malt' ? 'megan6' : meta.tool
-                                    [meta_new, profile]
-                                }
-                                .groupTuple ()
+                                    meta, profile ->
+                                        def meta_new = [:]
+                                        meta_new.id = meta.db_name
+                                        meta_new.tool = meta.tool == 'metaphlan3' ? 'metaphlan' : meta.tool == 'malt' ? 'megan6' : meta.tool
+                                        [meta_new, profile]
+                            }
+                            .groupTuple ()
+                            .map { [ it[0], it[1].flatten() ] }
 
     TAXPASTA_MERGE (ch_input_for_taxpasta, [], [])
 
-
     /*
         Split profile results based on tool they come from
     */

From cd4614f387a5dbbd67984e9f98b8654b9e07a741 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 23 Feb 2023 14:00:00 +0100
Subject: [PATCH 673/789] Fix typo in schema docs [skip ci]

---
 nextflow_schema.json | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 5871862..3de42d5 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -417,7 +417,7 @@
                     "default": "16G",
                     "description": "Specify how large to chunk database when loading into memory for KrakenUniq",
                     "fa_icon": "fas fa-database",
-                    "help_text": "nf-core/taxprofiler utilises a 'low memory' option for KrakenUniq that can reduce the amount of RAM the process requires using the `--preloaded` option.\n\nA further extension to this option is that you can specify how large each chunk of the database should be that gets loaded into memory at any one time. You can specify the amount of RAM to chunk the database to with this parameter, and is particularly useful for people with limited computational resources.\n\nMore information about this parameter can be seen [here](https://github.com/fbreitwieser/krakenuniq/blob/master/README.md#new-release-v07).\n\n> Modifies KrakenUniq parameter: --preload\n\n> \n\n"
+                    "help_text": "nf-core/taxprofiler utilises a 'low memory' option for KrakenUniq that can reduce the amount of RAM the process requires using the `--preloaded` option.\n\nA further extension to this option is that you can specify how large each chunk of the database should be that gets loaded into memory at any one time. You can specify the amount of RAM to chunk the database to with this parameter, and is particularly useful for people with limited computational resources.\n\nMore information about this parameter can be seen [here](https://github.com/fbreitwieser/krakenuniq/blob/master/README.md#new-release-v07).\n\n> Modifies KrakenUniq parameter: --preload-size\n\n"
                 },
                 "krakenuniq_save_readclassifications": {
                     "type": "boolean",

From 5a6fcf1f42a1c13cde747cf158afe4f2ed96486b Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Fri, 24 Feb 2023 11:44:07 +0100
Subject: [PATCH 674/789] Update taxpasta/merge to version 0.2.0 and add
 taxonomy argument

---
 conf/modules.config                    | 7 ++++++-
 modules.json                           | 2 +-
 modules/nf-core/taxpasta/merge/main.nf | 6 +++---
 nextflow.config                        | 1 +
 nextflow_schema.json                   | 5 +++++
 5 files changed, 16 insertions(+), 5 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 605a7c5..10ce34d 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -543,7 +543,12 @@ process {
     }
 
     withName: TAXPASTA_MERGE {
-        ext.args =  { "-p ${meta.tool} -o ${meta.tool}_${meta.id}.${params.standardisation_taxpasta_format}" }
+        ext.args =  {
+            [
+                "-p ${meta.tool} -o ${meta.tool}_${meta.id}.${params.standardisation_taxpasta_format}",
+                params.taxpasta_add_taxonomy ? "--taxonomy" : "",
+            ].join(' ').trim()
+            }
         publishDir = [
             path: { "${params.outdir}/taxpasta/" },
             mode: params.publish_dir_mode,
diff --git a/modules.json b/modules.json
index 5b07b07..d1899a4 100644
--- a/modules.json
+++ b/modules.json
@@ -209,7 +209,7 @@
                     },
                     "taxpasta/merge": {
                         "branch": "master",
-                        "git_sha": "74ab450ed05e034d049c00f6e2853de2c31594b4",
+                        "git_sha": "fe58454add6225d2b7468e6d72a3a1f6a3149638",
                         "installed_by": ["modules"]
                     },
                     "untar": {
diff --git a/modules/nf-core/taxpasta/merge/main.nf b/modules/nf-core/taxpasta/merge/main.nf
index 67a6f25..46aea29 100644
--- a/modules/nf-core/taxpasta/merge/main.nf
+++ b/modules/nf-core/taxpasta/merge/main.nf
@@ -2,10 +2,10 @@ process TAXPASTA_MERGE {
     tag "$meta.id"
     label 'process_single'
 
-    conda "bioconda::taxpasta=0.1.1"
+    conda "bioconda::taxpasta=0.2.0"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/taxpasta:0.1.1--pyhdfd78af_0':
-        'quay.io/biocontainers/taxpasta:0.1.1--pyhdfd78af_0' }"
+        'https://depot.galaxyproject.org/singularity/taxpasta:0.2.0--pyhdfd78af_0':
+        'quay.io/biocontainers/taxpasta:0.2.0--pyhdfd78af_0' }"
 
 
     input:
diff --git a/nextflow.config b/nextflow.config
index 9228d67..18e706a 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -157,6 +157,7 @@ params {
     // profile standardisation
     run_profile_standardisation             = false
     standardisation_taxpasta_format         = 'tsv'
+    taxpasta_add_taxonomy                   = false
     standardisation_motus_generatebiom      = false
 }
 
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 3de42d5..314b485 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -516,6 +516,11 @@
                     "fa_icon": "fas fa-file",
                     "description": "The desired output format.",
                     "enum": ["tsv", "csv", "arrow", "parquet", "biom"]
+                },
+                "taxpasta_add_taxonomy": {
+                    "type": "boolean",
+                    "description": "The path to a directory containing taxdump files.",
+                    "help_text": "At least nodes.dmp and names.dmp are required. A merged.dmp file is optional."
                 }
             },
             "fa_icon": "fas fa-chart-line"

From 5dc3cbc2789ac9bb036ce12a6c8dc2f7a8bb56d5 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Fri, 24 Feb 2023 13:04:38 +0100
Subject: [PATCH 675/789] Rename taxonomy argument

---
 conf/modules.config  | 2 +-
 nextflow.config      | 2 +-
 nextflow_schema.json | 2 +-
 3 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 10ce34d..2b65798 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -546,7 +546,7 @@ process {
         ext.args =  {
             [
                 "-p ${meta.tool} -o ${meta.tool}_${meta.id}.${params.standardisation_taxpasta_format}",
-                params.taxpasta_add_taxonomy ? "--taxonomy" : "",
+                params.taxpasta_taxonomy_files ? "--taxonomy" : "",
             ].join(' ').trim()
             }
         publishDir = [
diff --git a/nextflow.config b/nextflow.config
index 18e706a..30f2498 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -157,7 +157,7 @@ params {
     // profile standardisation
     run_profile_standardisation             = false
     standardisation_taxpasta_format         = 'tsv'
-    taxpasta_add_taxonomy                   = false
+    taxpasta_taxonomy_files                 = false
     standardisation_motus_generatebiom      = false
 }
 
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 314b485..78260a5 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -517,7 +517,7 @@
                     "description": "The desired output format.",
                     "enum": ["tsv", "csv", "arrow", "parquet", "biom"]
                 },
-                "taxpasta_add_taxonomy": {
+                "taxpasta_taxonomy_files": {
                     "type": "boolean",
                     "description": "The path to a directory containing taxdump files.",
                     "help_text": "At least nodes.dmp and names.dmp are required. A merged.dmp file is optional."

From e18e68faa50031aedb931fd5f2034b2d6bb72a39 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Fri, 24 Feb 2023 15:50:24 +0100
Subject: [PATCH 676/789] Apply review suggestion

---
 conf/modules.config  | 2 +-
 nextflow.config      | 2 +-
 nextflow_schema.json | 2 +-
 3 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 2b65798..e49d792 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -546,7 +546,7 @@ process {
         ext.args =  {
             [
                 "-p ${meta.tool} -o ${meta.tool}_${meta.id}.${params.standardisation_taxpasta_format}",
-                params.taxpasta_taxonomy_files ? "--taxonomy" : "",
+                params.taxpasta_taxonomy_dir ? "--taxonomy" ${params.taxpasta_taxonomy_dir}" : "",
             ].join(' ').trim()
             }
         publishDir = [
diff --git a/nextflow.config b/nextflow.config
index 30f2498..79f1d71 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -157,7 +157,7 @@ params {
     // profile standardisation
     run_profile_standardisation             = false
     standardisation_taxpasta_format         = 'tsv'
-    taxpasta_taxonomy_files                 = false
+    taxpasta_taxonomy_dir                   = false
     standardisation_motus_generatebiom      = false
 }
 
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 78260a5..303ab5c 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -517,7 +517,7 @@
                     "description": "The desired output format.",
                     "enum": ["tsv", "csv", "arrow", "parquet", "biom"]
                 },
-                "taxpasta_taxonomy_files": {
+                "taxpasta_taxonomy_dir": {
                     "type": "boolean",
                     "description": "The path to a directory containing taxdump files.",
                     "help_text": "At least nodes.dmp and names.dmp are required. A merged.dmp file is optional."

From a7ae57c94ec7ada5d3e65ec346d92eaead6b03eb Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Fri, 24 Feb 2023 15:53:54 +0100
Subject: [PATCH 677/789] Fix linting

---
 conf/modules.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/conf/modules.config b/conf/modules.config
index e49d792..263bca3 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -546,7 +546,7 @@ process {
         ext.args =  {
             [
                 "-p ${meta.tool} -o ${meta.tool}_${meta.id}.${params.standardisation_taxpasta_format}",
-                params.taxpasta_taxonomy_dir ? "--taxonomy" ${params.taxpasta_taxonomy_dir}" : "",
+                params.taxpasta_taxonomy_dir ? "--taxonomy ${params.taxpasta_taxonomy_dir}" : "",
             ].join(' ').trim()
             }
         publishDir = [

From 78d7001bea972bfdd62ddc5fd6c849893030e3ba Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Fri, 24 Feb 2023 16:53:49 +0100
Subject: [PATCH 678/789] Document the taxonomy parameters

---
 docs/output.md | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/docs/output.md b/docs/output.md
index 85b163c..d34d597 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -449,6 +449,8 @@ The resulting HTML files can be loaded into your web browser for exploration. Ea
 
   </details>
 
+By enabling the parameter `--taxonomy` and giving the path to a directory containing taxdump files, the taxon name, the taxon rank and the taxon's entire lineage can be added in the output. Those should be configured through `ext.args` by respectively using the parameters `--add-name`, `--add-rank` and `--add-lineage`.
+
 These files will likely be the most useful files for the comparison of differences in classification between different tools or building consensuses, with the caveat they have slightly less information than the actual output from each tool (which may have non-standard information e.g. taxonomic rank, percentage of hits, abundance estimations).
 
 The following report files are used for the taxpasta step:

From 2f0c68a833540a292367b49d16c642d4c8f43e31 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Mon, 27 Feb 2023 10:15:42 +0100
Subject: [PATCH 679/789] Last review suggestions

---
 conf/modules.config  |  4 ++++
 docs/output.md       |  2 +-
 nextflow.config      |  4 ++++
 nextflow_schema.json | 22 ++++++++++++++++++++++
 4 files changed, 31 insertions(+), 1 deletion(-)

diff --git a/conf/modules.config b/conf/modules.config
index 263bca3..a3cb66a 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -547,6 +547,10 @@ process {
             [
                 "-p ${meta.tool} -o ${meta.tool}_${meta.id}.${params.standardisation_taxpasta_format}",
                 params.taxpasta_taxonomy_dir ? "--taxonomy ${params.taxpasta_taxonomy_dir}" : "",
+                params.taxpasta_add_name ?  "--add-name" : "",
+                params.taxpasta_add_rank ? "--add-rank" : "",
+                params.taxpasta_add_lineage ? "--add-lineage" : "",
+                params.taxpasta_add_idlineage ? "--add-id-lineage" : "",
             ].join(' ').trim()
             }
         publishDir = [
diff --git a/docs/output.md b/docs/output.md
index d34d597..b944299 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -449,7 +449,7 @@ The resulting HTML files can be loaded into your web browser for exploration. Ea
 
   </details>
 
-By enabling the parameter `--taxonomy` and giving the path to a directory containing taxdump files, the taxon name, the taxon rank and the taxon's entire lineage can be added in the output. Those should be configured through `ext.args` by respectively using the parameters `--add-name`, `--add-rank` and `--add-lineage`.
+By enabling the parameter `--taxonomy` and giving the path to a directory containing taxdump files, the taxon name, the taxon rank, the taxon's entire lineage including taxon names and the taxon's entire lineage including taxon identifiers can be added in the output. Those should be configured through `ext.args` by respectively using the parameters `--add-name`, `--add-rank`, `--add-lineage` and `--add-id-lineage`.
 
 These files will likely be the most useful files for the comparison of differences in classification between different tools or building consensuses, with the caveat they have slightly less information than the actual output from each tool (which may have non-standard information e.g. taxonomic rank, percentage of hits, abundance estimations).
 
diff --git a/nextflow.config b/nextflow.config
index 79f1d71..fc78904 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -158,6 +158,10 @@ params {
     run_profile_standardisation             = false
     standardisation_taxpasta_format         = 'tsv'
     taxpasta_taxonomy_dir                   = false
+    taxpasta_add_name                       = false
+    taxpasta_add_rank                       = false
+    taxpasta_add_lineage                    = false
+    taxpasta_add_idlineage                  = false
     standardisation_motus_generatebiom      = false
 }
 
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 303ab5c..4614dd9 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -521,6 +521,28 @@
                     "type": "boolean",
                     "description": "The path to a directory containing taxdump files.",
                     "help_text": "At least nodes.dmp and names.dmp are required. A merged.dmp file is optional."
+                },
+                "taxpasta_add_name": {
+                    "type": "string",
+                    "default": "false",
+                    "description": "Add the taxon name to the output."
+                },
+                "taxpasta_add_rank": {
+                    "type": "string",
+                    "default": "false",
+                    "description": "Add the taxon rank to the output."
+                },
+                "taxpasta_add_lineage": {
+                    "type": "string",
+                    "default": "false",
+                    "description": "Add the taxon's entire lineage to the output.",
+                    "help_text": "These are taxon names separated by semi-colons.   "
+                },
+                "taxpasta_add_idlineage": {
+                    "type": "string",
+                    "default": "false",
+                    "description": "Add the taxon's entire lineage to the output.",
+                    "help_text": "These are taxon identifiers separated by semi-colons. "
                 }
             },
             "fa_icon": "fas fa-chart-line"

From 489650feb8dbff56d83078f7b772b1e80916269c Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Mon, 27 Feb 2023 10:24:14 +0100
Subject: [PATCH 680/789] Linting

---
 nextflow_schema.json | 12 ++++--------
 1 file changed, 4 insertions(+), 8 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 4614dd9..cacff75 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -523,24 +523,20 @@
                     "help_text": "At least nodes.dmp and names.dmp are required. A merged.dmp file is optional."
                 },
                 "taxpasta_add_name": {
-                    "type": "string",
-                    "default": "false",
+                    "type": "boolean",
                     "description": "Add the taxon name to the output."
                 },
                 "taxpasta_add_rank": {
-                    "type": "string",
-                    "default": "false",
+                    "type": "boolean",
                     "description": "Add the taxon rank to the output."
                 },
                 "taxpasta_add_lineage": {
-                    "type": "string",
-                    "default": "false",
+                    "type": "boolean",
                     "description": "Add the taxon's entire lineage to the output.",
                     "help_text": "These are taxon names separated by semi-colons.   "
                 },
                 "taxpasta_add_idlineage": {
-                    "type": "string",
-                    "default": "false",
+                    "type": "boolean",
                     "description": "Add the taxon's entire lineage to the output.",
                     "help_text": "These are taxon identifiers separated by semi-colons. "
                 }

From d96e0a17a5c002d707c2223e65437420ee06b1a1 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Mon, 27 Feb 2023 10:39:10 +0100
Subject: [PATCH 681/789] Update conf/modules.config

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 conf/modules.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/conf/modules.config b/conf/modules.config
index a3cb66a..defef95 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -550,7 +550,7 @@ process {
                 params.taxpasta_add_name ?  "--add-name" : "",
                 params.taxpasta_add_rank ? "--add-rank" : "",
                 params.taxpasta_add_lineage ? "--add-lineage" : "",
-                params.taxpasta_add_idlineage ? "--add-id-lineage" : "",
+                params.taxpasta_add_idlineage ? "--add-id-lineage" : ""
             ].join(' ').trim()
             }
         publishDir = [

From 1aef73cda869e2c6bfe94bda04b6bd6a13d9b6d4 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Mon, 27 Feb 2023 10:39:44 +0100
Subject: [PATCH 682/789] Update docs/output.md

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 docs/output.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/output.md b/docs/output.md
index b944299..54bdeb1 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -449,7 +449,7 @@ The resulting HTML files can be loaded into your web browser for exploration. Ea
 
   </details>
 
-By enabling the parameter `--taxonomy` and giving the path to a directory containing taxdump files, the taxon name, the taxon rank, the taxon's entire lineage including taxon names and the taxon's entire lineage including taxon identifiers can be added in the output. Those should be configured through `ext.args` by respectively using the parameters `--add-name`, `--add-rank`, `--add-lineage` and `--add-id-lineage`.
+By providing the path to a directory containing taxdump files to `--taxpasta_taxonomy_dir`, the taxon name, the taxon rank, the taxon's entire lineage including taxon names and/or the taxon's entire lineage including taxon identifiers can also be added in the output in addition to just the taxon ID. Addition of this extra information can be turned by using the parameters `--add-name`, `--add-rank`, `--add-lineage` and `--add-id-lineage` respectively.
 
 These files will likely be the most useful files for the comparison of differences in classification between different tools or building consensuses, with the caveat they have slightly less information than the actual output from each tool (which may have non-standard information e.g. taxonomic rank, percentage of hits, abundance estimations).
 

From d454ceed862e96730f87d51d0e14814f9554c9e2 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Mon, 27 Feb 2023 11:00:42 +0100
Subject: [PATCH 683/789] Update docs/output.md

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 docs/output.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/output.md b/docs/output.md
index 54bdeb1..0d35bdd 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -449,7 +449,7 @@ The resulting HTML files can be loaded into your web browser for exploration. Ea
 
   </details>
 
-By providing the path to a directory containing taxdump files to `--taxpasta_taxonomy_dir`, the taxon name, the taxon rank, the taxon's entire lineage including taxon names and/or the taxon's entire lineage including taxon identifiers can also be added in the output in addition to just the taxon ID. Addition of this extra information can be turned by using the parameters `--add-name`, `--add-rank`, `--add-lineage` and `--add-id-lineage` respectively.
+By providing the path to a directory containing taxdump files to `--taxpasta_taxonomy_dir`, the taxon name, the taxon rank, the taxon's entire lineage including taxon names and/or the taxon's entire lineage including taxon identifiers can also be added in the output in addition to just the taxon ID. Addition of this extra information can be turned by using the parameters `--taxpasta_add_name`, `--taxpasta_add_rank`, `--taxpasta_add_lineage` and `--taxpasta_add_idlineage` respectively.
 
 These files will likely be the most useful files for the comparison of differences in classification between different tools or building consensuses, with the caveat they have slightly less information than the actual output from each tool (which may have non-standard information e.g. taxonomic rank, percentage of hits, abundance estimations).
 

From e3e465df1f1a4b0d64754de93a7952592b1efd73 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Mon, 27 Feb 2023 11:00:59 +0100
Subject: [PATCH 684/789] Update nextflow_schema.json

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 nextflow_schema.json | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index cacff75..65d17b1 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -518,7 +518,7 @@
                     "enum": ["tsv", "csv", "arrow", "parquet", "biom"]
                 },
                 "taxpasta_taxonomy_dir": {
-                    "type": "boolean",
+                    "type": "string",
                     "description": "The path to a directory containing taxdump files.",
                     "help_text": "At least nodes.dmp and names.dmp are required. A merged.dmp file is optional."
                 },

From 69430ef8519be38b9e72ba3b0a3adb629626976f Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Mon, 27 Feb 2023 11:02:55 +0100
Subject: [PATCH 685/789] Update nextflow.config

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 nextflow.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/nextflow.config b/nextflow.config
index fc78904..19ca198 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -157,7 +157,7 @@ params {
     // profile standardisation
     run_profile_standardisation             = false
     standardisation_taxpasta_format         = 'tsv'
-    taxpasta_taxonomy_dir                   = false
+    taxpasta_taxonomy_dir                   = null
     taxpasta_add_name                       = false
     taxpasta_add_rank                       = false
     taxpasta_add_lineage                    = false

From 4dea308c22a09eaf84e740f1af706faac4463b56 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Mon, 27 Feb 2023 11:34:19 +0100
Subject: [PATCH 686/789] Linting

---
 modules.json | 170 ++++++++++++++++++++++++++++++++++++++-------------
 1 file changed, 127 insertions(+), 43 deletions(-)

diff --git a/modules.json b/modules.json
index d1899a4..f4a5e86 100644
--- a/modules.json
+++ b/modules.json
@@ -8,217 +8,301 @@
                     "adapterremoval": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "bbmap/bbduk": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "bowtie2/align": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "bowtie2/build": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "bracken/bracken": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "bracken/combinebrackenoutputs": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "cat/fastq": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "centrifuge/centrifuge": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "centrifuge/kreport": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "custom/dumpsoftwareversions": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "diamond/blastx": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "falco": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"],
+                        "installed_by": [
+                            "modules"
+                        ],
                         "patch": "modules/nf-core/falco/falco.diff"
                     },
                     "fastp": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "fastqc": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "filtlong": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "gunzip": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "kaiju/kaiju": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "kaiju/kaiju2krona": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "kaiju/kaiju2table": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "kraken2/kraken2": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "krakentools/combinekreports": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "krakentools/kreport2krona": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "krakenuniq/preloadedkrakenuniq": {
                         "branch": "master",
                         "git_sha": "a6eb17f65b3ee5761c25c075a6166c9f76733cee",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "krona/ktimporttaxonomy": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "krona/ktimporttext": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "malt/run": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "megan/rma2info": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "metaphlan3/mergemetaphlantables": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "metaphlan3/metaphlan3": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "minimap2/align": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "minimap2/index": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "motus/merge": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "motus/profile": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "multiqc": {
                         "branch": "master",
                         "git_sha": "ee80d14721e76e2e079103b8dcd5d57129e584ba",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "porechop/porechop": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"],
+                        "installed_by": [
+                            "modules"
+                        ],
                         "patch": "modules/nf-core/porechop/porechop/porechop-porechop.diff"
                     },
                     "prinseqplusplus": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "samtools/bam2fq": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "samtools/index": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "samtools/stats": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "samtools/view": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "taxpasta/merge": {
                         "branch": "master",
                         "git_sha": "fe58454add6225d2b7468e6d72a3a1f6a3149638",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "untar": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     }
                 }
             }
         }
     }
-}
+}
\ No newline at end of file

From c94bfb0cf14faae54ed6678adbff46f8b56cdbff Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Mon, 27 Feb 2023 13:09:07 +0100
Subject: [PATCH 687/789] Fix prettier

---
 modules.json | 170 +++++++++++++--------------------------------------
 1 file changed, 43 insertions(+), 127 deletions(-)

diff --git a/modules.json b/modules.json
index f4a5e86..d1899a4 100644
--- a/modules.json
+++ b/modules.json
@@ -8,301 +8,217 @@
                     "adapterremoval": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "bbmap/bbduk": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "bowtie2/align": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "bowtie2/build": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "bracken/bracken": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "bracken/combinebrackenoutputs": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "cat/fastq": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "centrifuge/centrifuge": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "centrifuge/kreport": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "custom/dumpsoftwareversions": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "diamond/blastx": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "falco": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ],
+                        "installed_by": ["modules"],
                         "patch": "modules/nf-core/falco/falco.diff"
                     },
                     "fastp": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "fastqc": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "filtlong": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "gunzip": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "kaiju/kaiju": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "kaiju/kaiju2krona": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "kaiju/kaiju2table": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "kraken2/kraken2": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "krakentools/combinekreports": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "krakentools/kreport2krona": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "krakenuniq/preloadedkrakenuniq": {
                         "branch": "master",
                         "git_sha": "a6eb17f65b3ee5761c25c075a6166c9f76733cee",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "krona/ktimporttaxonomy": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "krona/ktimporttext": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "malt/run": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "megan/rma2info": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "metaphlan3/mergemetaphlantables": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "metaphlan3/metaphlan3": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "minimap2/align": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "minimap2/index": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "motus/merge": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "motus/profile": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "multiqc": {
                         "branch": "master",
                         "git_sha": "ee80d14721e76e2e079103b8dcd5d57129e584ba",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "porechop/porechop": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ],
+                        "installed_by": ["modules"],
                         "patch": "modules/nf-core/porechop/porechop/porechop-porechop.diff"
                     },
                     "prinseqplusplus": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "samtools/bam2fq": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "samtools/index": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "samtools/stats": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "samtools/view": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "taxpasta/merge": {
                         "branch": "master",
                         "git_sha": "fe58454add6225d2b7468e6d72a3a1f6a3149638",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "untar": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     }
                 }
             }
         }
     }
-}
\ No newline at end of file
+}

From 99fe8adb1bb023f3bcc032f554c2212d94adbe81 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Mon, 27 Feb 2023 13:49:02 +0100
Subject: [PATCH 688/789] Add helptext

---
 nextflow_schema.json | 12 +++++++-----
 1 file changed, 7 insertions(+), 5 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 65d17b1..02c5688 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -520,25 +520,27 @@
                 "taxpasta_taxonomy_dir": {
                     "type": "string",
                     "description": "The path to a directory containing taxdump files.",
-                    "help_text": "At least nodes.dmp and names.dmp are required. A merged.dmp file is optional."
+                    "help_text": "This arguments provides the path to the directory containing taxdump files. At least nodes.dmp and names.dmp are required. A merged.dmp file is optional. \n\nModifies tool parameter(s):\n-taxpasta: `--taxpasta_taxonomy_dir`"
                 },
                 "taxpasta_add_name": {
                     "type": "boolean",
-                    "description": "Add the taxon name to the output."
+                    "description": "Add the taxon name to the output.",
+                    "help_text": "The standard output format of taxpasta is a two-column table including the read counts and the integer taxonomic ID. The taxon name can be added as additional information to the output table.\n\nModifies tool parameter(s):\n- taxpasta: `taxpasta_add_name`"
                 },
                 "taxpasta_add_rank": {
                     "type": "boolean",
-                    "description": "Add the taxon rank to the output."
+                    "description": "Add the taxon rank to the output.",
+                    "help_text": "The standard output format of taxpasta is a two-column table including the read counts and the integer taxonomic ID. The taxon rank can be added as additional information to the output table.\n\nModifies tool parameter(s):\n- taxpasta: `taxpasta_add_rank`"
                 },
                 "taxpasta_add_lineage": {
                     "type": "boolean",
                     "description": "Add the taxon's entire lineage to the output.",
-                    "help_text": "These are taxon names separated by semi-colons.   "
+                    "help_text": "\nThe standard output format of taxpasta is a two-column table including the read counts and the integer taxonomic ID. The taxon's entire lineage with the taxon names separated by semi-colons can be added as additional information to the output table.\n\nModifies tool parameter(s):\n- taxpasta: `taxpasta_add_lineage`\n"
                 },
                 "taxpasta_add_idlineage": {
                     "type": "boolean",
                     "description": "Add the taxon's entire lineage to the output.",
-                    "help_text": "These are taxon identifiers separated by semi-colons. "
+                    "help_text": "\nThe standard output format of taxpasta is a two-column table including the read counts and the integer taxonomic ID. The taxon's entire lineage with the taxon identifiers separated by semi-colons can be added as additional information to the output table.\n\nModifies tool parameter(s):\n- taxpasta: `taxpasta_add_idlineage`\n"
                 }
             },
             "fa_icon": "fas fa-chart-line"

From 54af021965837019a0fc423c34008704c2fe9a98 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Mon, 27 Feb 2023 14:18:01 +0100
Subject: [PATCH 689/789] Update nextflow_schema.json

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 nextflow_schema.json | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 02c5688..cc6b26f 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -525,7 +525,7 @@
                 "taxpasta_add_name": {
                     "type": "boolean",
                     "description": "Add the taxon name to the output.",
-                    "help_text": "The standard output format of taxpasta is a two-column table including the read counts and the integer taxonomic ID. The taxon name can be added as additional information to the output table.\n\nModifies tool parameter(s):\n- taxpasta: `taxpasta_add_name`"
+                    "help_text": "The standard output format of taxpasta is a two-column table including the read counts and the integer taxonomic ID. The taxon name can be added as additional information to the output table.\n\nModifies tool parameter(s):\n- taxpasta: `--taxpasta_add_name`"
                 },
                 "taxpasta_add_rank": {
                     "type": "boolean",

From 9621d34c4a3c25d949ef7f62e077cf69ed1e1289 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Mon, 27 Feb 2023 14:18:11 +0100
Subject: [PATCH 690/789] Update nextflow_schema.json

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 nextflow_schema.json | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index cc6b26f..cd3ff46 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -530,7 +530,7 @@
                 "taxpasta_add_rank": {
                     "type": "boolean",
                     "description": "Add the taxon rank to the output.",
-                    "help_text": "The standard output format of taxpasta is a two-column table including the read counts and the integer taxonomic ID. The taxon rank can be added as additional information to the output table.\n\nModifies tool parameter(s):\n- taxpasta: `taxpasta_add_rank`"
+                    "help_text": "The standard output format of taxpasta is a two-column table including the read counts and the integer taxonomic ID. The taxon rank can be added as additional information to the output table.\n\nModifies tool parameter(s):\n- taxpasta: `--taxpasta_add_rank`"
                 },
                 "taxpasta_add_lineage": {
                     "type": "boolean",

From fff7453d0cf61401939230c145cecc4d590cbbf1 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Mon, 27 Feb 2023 14:18:22 +0100
Subject: [PATCH 691/789] Update nextflow_schema.json

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 nextflow_schema.json | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index cd3ff46..8aee354 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -535,7 +535,7 @@
                 "taxpasta_add_lineage": {
                     "type": "boolean",
                     "description": "Add the taxon's entire lineage to the output.",
-                    "help_text": "\nThe standard output format of taxpasta is a two-column table including the read counts and the integer taxonomic ID. The taxon's entire lineage with the taxon names separated by semi-colons can be added as additional information to the output table.\n\nModifies tool parameter(s):\n- taxpasta: `taxpasta_add_lineage`\n"
+                    "help_text": "\nThe standard output format of taxpasta is a two-column table including the read counts and the integer taxonomic ID. The taxon's entire lineage with the taxon names separated by semi-colons can be added as additional information to the output table.\n\nModifies tool parameter(s):\n- taxpasta: `--taxpasta_add_lineage`\n"
                 },
                 "taxpasta_add_idlineage": {
                     "type": "boolean",

From df5303270da03f11d186c8e4a8fb1e7b69385f71 Mon Sep 17 00:00:00 2001
From: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
Date: Mon, 27 Feb 2023 14:18:30 +0100
Subject: [PATCH 692/789] Update nextflow_schema.json

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 nextflow_schema.json | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 8aee354..2a72303 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -540,7 +540,7 @@
                 "taxpasta_add_idlineage": {
                     "type": "boolean",
                     "description": "Add the taxon's entire lineage to the output.",
-                    "help_text": "\nThe standard output format of taxpasta is a two-column table including the read counts and the integer taxonomic ID. The taxon's entire lineage with the taxon identifiers separated by semi-colons can be added as additional information to the output table.\n\nModifies tool parameter(s):\n- taxpasta: `taxpasta_add_idlineage`\n"
+                    "help_text": "\nThe standard output format of taxpasta is a two-column table including the read counts and the integer taxonomic ID. The taxon's entire lineage with the taxon identifiers separated by semi-colons can be added as additional information to the output table.\n\nModifies tool parameter(s):\n- taxpasta: `--taxpasta_add_idlineage`\n"
                 }
             },
             "fa_icon": "fas fa-chart-line"

From 58f09ed659eba75d5818326ab9e5ef65677a9e6c Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Wed, 1 Mar 2023 22:12:09 +0100
Subject: [PATCH 693/789] Update taxpasta/merge module

---
 modules.json                           | 172 ++++++++++++++++++-------
 modules/nf-core/taxpasta/merge/main.nf |   6 +-
 2 files changed, 131 insertions(+), 47 deletions(-)

diff --git a/modules.json b/modules.json
index d1899a4..4b05d01 100644
--- a/modules.json
+++ b/modules.json
@@ -8,217 +8,301 @@
                     "adapterremoval": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "bbmap/bbduk": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "bowtie2/align": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "bowtie2/build": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "bracken/bracken": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "bracken/combinebrackenoutputs": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "cat/fastq": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "centrifuge/centrifuge": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "centrifuge/kreport": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "custom/dumpsoftwareversions": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "diamond/blastx": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "falco": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"],
+                        "installed_by": [
+                            "modules"
+                        ],
                         "patch": "modules/nf-core/falco/falco.diff"
                     },
                     "fastp": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "fastqc": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "filtlong": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "gunzip": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "kaiju/kaiju": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "kaiju/kaiju2krona": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "kaiju/kaiju2table": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "kraken2/kraken2": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "krakentools/combinekreports": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "krakentools/kreport2krona": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "krakenuniq/preloadedkrakenuniq": {
                         "branch": "master",
                         "git_sha": "a6eb17f65b3ee5761c25c075a6166c9f76733cee",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "krona/ktimporttaxonomy": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "krona/ktimporttext": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "malt/run": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "megan/rma2info": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "metaphlan3/mergemetaphlantables": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "metaphlan3/metaphlan3": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "minimap2/align": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "minimap2/index": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "motus/merge": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "motus/profile": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "multiqc": {
                         "branch": "master",
                         "git_sha": "ee80d14721e76e2e079103b8dcd5d57129e584ba",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "porechop/porechop": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"],
+                        "installed_by": [
+                            "modules"
+                        ],
                         "patch": "modules/nf-core/porechop/porechop/porechop-porechop.diff"
                     },
                     "prinseqplusplus": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "samtools/bam2fq": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "samtools/index": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "samtools/stats": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "samtools/view": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "taxpasta/merge": {
                         "branch": "master",
-                        "git_sha": "fe58454add6225d2b7468e6d72a3a1f6a3149638",
-                        "installed_by": ["modules"]
+                        "git_sha": "23ff77e576b3930923229e7430dcdd0b51012c1d",
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "untar": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     }
                 }
             }
         }
     }
-}
+}
\ No newline at end of file
diff --git a/modules/nf-core/taxpasta/merge/main.nf b/modules/nf-core/taxpasta/merge/main.nf
index 46aea29..00c63ba 100644
--- a/modules/nf-core/taxpasta/merge/main.nf
+++ b/modules/nf-core/taxpasta/merge/main.nf
@@ -2,10 +2,10 @@ process TAXPASTA_MERGE {
     tag "$meta.id"
     label 'process_single'
 
-    conda "bioconda::taxpasta=0.2.0"
+    conda "bioconda::taxpasta=0.2.1"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/taxpasta:0.2.0--pyhdfd78af_0':
-        'quay.io/biocontainers/taxpasta:0.2.0--pyhdfd78af_0' }"
+        'https://depot.galaxyproject.org/singularity/taxpasta:0.2.1--pyhdfd78af_0':
+        'quay.io/biocontainers/taxpasta:0.2.1--pyhdfd78af_0' }"
 
 
     input:

From 7ae7fb528b23255ee491c459f1c6fb5d12c7eb9c Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Wed, 1 Mar 2023 22:17:07 +0100
Subject: [PATCH 694/789] Prettier

---
 modules.json | 170 +++++++++++++--------------------------------------
 1 file changed, 43 insertions(+), 127 deletions(-)

diff --git a/modules.json b/modules.json
index 4b05d01..6e41dad 100644
--- a/modules.json
+++ b/modules.json
@@ -8,301 +8,217 @@
                     "adapterremoval": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "bbmap/bbduk": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "bowtie2/align": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "bowtie2/build": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "bracken/bracken": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "bracken/combinebrackenoutputs": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "cat/fastq": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "centrifuge/centrifuge": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "centrifuge/kreport": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "custom/dumpsoftwareversions": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "diamond/blastx": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "falco": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ],
+                        "installed_by": ["modules"],
                         "patch": "modules/nf-core/falco/falco.diff"
                     },
                     "fastp": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "fastqc": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "filtlong": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "gunzip": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "kaiju/kaiju": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "kaiju/kaiju2krona": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "kaiju/kaiju2table": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "kraken2/kraken2": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "krakentools/combinekreports": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "krakentools/kreport2krona": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "krakenuniq/preloadedkrakenuniq": {
                         "branch": "master",
                         "git_sha": "a6eb17f65b3ee5761c25c075a6166c9f76733cee",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "krona/ktimporttaxonomy": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "krona/ktimporttext": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "malt/run": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "megan/rma2info": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "metaphlan3/mergemetaphlantables": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "metaphlan3/metaphlan3": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "minimap2/align": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "minimap2/index": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "motus/merge": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "motus/profile": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "multiqc": {
                         "branch": "master",
                         "git_sha": "ee80d14721e76e2e079103b8dcd5d57129e584ba",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "porechop/porechop": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ],
+                        "installed_by": ["modules"],
                         "patch": "modules/nf-core/porechop/porechop/porechop-porechop.diff"
                     },
                     "prinseqplusplus": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "samtools/bam2fq": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "samtools/index": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "samtools/stats": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "samtools/view": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "taxpasta/merge": {
                         "branch": "master",
                         "git_sha": "23ff77e576b3930923229e7430dcdd0b51012c1d",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "untar": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     }
                 }
             }
         }
     }
-}
\ No newline at end of file
+}

From a14937f668b59a5c4a7615af8fcf7438103d5e43 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 2 Mar 2023 13:34:10 +0100
Subject: [PATCH 695/789] Remove unused module and fix module structure for
 samplesheet_check

---
 modules/local/ensure_fastq_extension.nf | 31 -------------------------
 modules/local/samplesheet_check.nf      |  4 ++++
 2 files changed, 4 insertions(+), 31 deletions(-)
 delete mode 100644 modules/local/ensure_fastq_extension.nf

diff --git a/modules/local/ensure_fastq_extension.nf b/modules/local/ensure_fastq_extension.nf
deleted file mode 100644
index 034c9bb..0000000
--- a/modules/local/ensure_fastq_extension.nf
+++ /dev/null
@@ -1,31 +0,0 @@
-process ENSURE_FASTQ_EXTENSION {
-    tag "$meta.id"
-    label 'process_low'
-
-    conda "conda-forge::bash=5.0
-    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://containers.biocontainers.pro/s3/SingImgsRepo/biocontainers/v1.2.0_cv2/biocontainers_v1.2.0_cv2.img' :
-        'biocontainers/biocontainers:v1.2.0_cv2' }"
-
-
-    input:
-    tuple val(meta), path(reads)
-
-    output:
-    tuple val(meta), path('*.fastq.gz'), emit: reads
-
-    script:
-    if (meta.single_end) {
-        fastq = "${reads.baseName}.fastq.gz"
-        """
-        ln -s '${reads}' '${fastq}'
-        """
-    } else {
-        first = "${reads[0].baseName}.fastq.gz"
-        second = "${reads[1].baseName}.fastq.gz"
-        """
-        ln -s '${reads[0]}' '${first}'
-        ln -s '${reads[1]}' '${second}'
-        """
-    }
-}
diff --git a/modules/local/samplesheet_check.nf b/modules/local/samplesheet_check.nf
index 2879e46..ed686c8 100644
--- a/modules/local/samplesheet_check.nf
+++ b/modules/local/samplesheet_check.nf
@@ -1,5 +1,6 @@
 process SAMPLESHEET_CHECK {
     tag "$samplesheet"
+    label 'process_single'
 
     conda "conda-forge::python=3.8.3"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
@@ -13,6 +14,9 @@ process SAMPLESHEET_CHECK {
     path '*.csv'       , emit: csv
     path "versions.yml", emit: versions
 
+    when:
+    task.ext.when == null || task.ext.when
+
     script: // This script is bundled with the pipeline, in nf-core/taxprofiler/bin/
     """
     check_samplesheet.py \\

From 5c549e5ce3e080b88383377a1d13d2083311accc Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 2 Mar 2023 13:49:03 +0100
Subject: [PATCH 696/789] Remove TODOs and references to under development

---
 .github/workflows/awsfulltest.yml |  1 -
 CITATIONS.md                      | 46 ++++++++++++++++++++++---------
 README.md                         |  8 +-----
 conf/base.config                  |  2 --
 docs/output.md                    |  2 --
 nextflow.config                   |  1 -
 workflows/taxprofiler.nf          |  3 +-
 7 files changed, 35 insertions(+), 28 deletions(-)

diff --git a/.github/workflows/awsfulltest.yml b/.github/workflows/awsfulltest.yml
index fe81d27..a8974a0 100644
--- a/.github/workflows/awsfulltest.yml
+++ b/.github/workflows/awsfulltest.yml
@@ -15,7 +15,6 @@ jobs:
     steps:
       - name: Launch workflow via tower
         uses: nf-core/tower-action@v3
-        # TODO nf-core: You can customise AWS full pipeline tests as required
         # Add full size test data (but still relatively small datasets for few samples)
         # on the `test_full.config` test runs with only one set of parameters
         with:
diff --git a/CITATIONS.md b/CITATIONS.md
index 2f75fdb..2ed0a2b 100644
--- a/CITATIONS.md
+++ b/CITATIONS.md
@@ -16,6 +16,10 @@
 
   > Ewels P, Magnusson M, Lundin S, Käller M. MultiQC: summarize analysis results for multiple tools and samples in a single report. Bioinformatics. 2016 Oct 1;32(19):3047-8. doi: 10.1093/bioinformatics/btw354. Epub 2016 Jun 16. PubMed PMID: 27312411; PubMed Central PMCID: PMC5039924.
 
+- [falco](https://doi.org/10.12688/f1000research.21142.2)
+
+  > de Sena Brandine G and Smith AD. Falco: high-speed FastQC emulation for quality control of sequencing data. F1000Research 2021, 8:1874
+
 - [fastp](https://doi.org/10.1093/bioinformatics/bty560)
 
   > Chen, Shifu, Yanqing Zhou, Yaru Chen, and Jia Gu. 2018. Fastp: An Ultra-Fast All-in-One FASTQ Preprocessor. Bioinformatics 34 (17): i884-90. 10.1093/bioinformatics/bty560.
@@ -26,27 +30,41 @@
 
 - [Porechop](https://github.com/rrwick/Porechop)
 
+- [FILTLONG](https://github.com/rrwick/Filtlong)
+
 - [BBTools](http://sourceforge.net/projects/bbmap/)
 
 - [PRINSEQ++](https://doi.org/10.7287/peerj.preprints.27553v1)
 
   > Cantu, Vito Adrian, Jeffrey Sadural, and Robert Edwards. 2019. PRINSEQ++, a Multi-Threaded Tool for Fast and Efficient Quality Control and Preprocessing of Sequencing Datasets. e27553v1. PeerJ Preprints. doi: 10.7287/peerj.preprints.27553v1.
 
-- [Kraken2](https://doi.org/10.1186/s13059-019-1891-0)
+- [Bowtie2](https://doi.org/10.1038/nmeth.1923)
 
-  > Wood, Derrick E., Jennifer Lu, and Ben Langmead. 2019. Improved Metagenomic Analysis with Kraken 2. Genome Biology 20 (1): 257. doi: 10.1186/s13059-019-1891-0.
+  > Langmead, B., & Salzberg, S. L. (2012). Fast gapped-read alignment with Bowtie 2. Nature Methods, 9(4), 357–359. doi: 10.1038/nmeth.1923
 
-- [KrakenUniq](https://doi.org/10.1186/s13059-018-1568-0)
+- [minimap2](https://doi.org/10.1093/bioinformatics/bty191)
 
-  > Breitwieser, Florian P., Daniel N. Baker, and Steven L. Salzberg. 2018. KrakenUniq: confident and fast metagenomics classification using unique k-mer counts. Genome Biology 19 (1): 198. doi: 10.1186/s13059-018-1568-0
+  > Li, H. (2018). Minimap2: pairwise alignment for nucleotide sequences. Bioinformatics , 34(18), 3094–3100. doi: 10.1093/bioinformatics/bty191
+
+- [SAMTools](https://doi.org/10.1093/gigascience/giab008)
+
+  > Danecek, P., Bonfield, J. K., Liddle, J., Marshall, J., Ohan, V., Pollard, M. O., Whitwham, A., Keane, T., McCarthy, S. A., Davies, R. M., & Li, H. (2021). Twelve years of SAMtools and BCFtools. GigaScience, 10(2). doi: 10.1093/gigascience/giab008
 
 - [Bracken](https://doi.org/10.7717/peerj-cs.104)
 
   > Lu, J., Breitwieser, F. P., Thielen, P., & Salzberg, S. L. (2017). Bracken: Estimating species abundance in metagenomics data. PeerJ Computer Science, 3, e104. doi: 10.7717/peerj-cs.104
 
-- [Krona](https://doi.org/10.1186/1471-2105-12-385)
+- [Kraken2](https://doi.org/10.1186/s13059-019-1891-0)
 
-  > Ondov, Brian D., Nicholas H. Bergman, and Adam M. Phillippy. 2011. Interactive metagenomic visualization in a Web browser. BMC Bioinformatics 12 (1): 385. doi: 10.1186/1471-2105-12-385.
+  > Wood, Derrick E., Jennifer Lu, and Ben Langmead. 2019. Improved Metagenomic Analysis with Kraken 2. Genome Biology 20 (1): 257. doi: 10.1186/s13059-019-1891-0.
+
+- [KrakenUniq](https://doi.org/10.1186/s13059-018-1568-0)
+
+  > Breitwieser, Florian P., Daniel N. Baker, and Steven L. Salzberg. 2018. KrakenUniq: confident and fast metagenomics classification using unique k-mer counts. Genome Biology 19 (1): 198. doi: 10.1186/s13059-018-1568-0
+
+  - [MetaPhlAn3](https://doi.org/10.7554/eLife.65088)
+
+  > Beghini, Francesco, Lauren J McIver, Aitor Blanco-Míguez, Leonard Dubois, Francesco Asnicar, Sagun Maharjan, Ana Mailyan, et al. 2021. “Integrating Taxonomic, Functional, and Strain-Level Profiling of Diverse Microbial Communities with BioBakery 3.” Edited by Peter Turnbaugh, Eduardo Franco, and C Titus Brown. ELife 10 (May): e65088. doi: 10.7554/eLife.65088
 
 - [MALT](https://doi.org/10.1038/s41559-017-0446-6)
 
@@ -56,23 +74,25 @@
 
   > Huson, Daniel H., Sina Beier, Isabell Flade, Anna Górska, Mohamed El-Hadidi, Suparna Mitra, Hans-Joachim Ruscheweyh, and Rewati Tappu. 2016. “MEGAN Community Edition - Interactive Exploration and Analysis of Large-Scale Microbiome Sequencing Data.” PLoS Computational Biology 12 (6): e1004957. doi: 10.1371/journal.pcbi.1004957.
 
-- [MetaPhlAn3](https://doi.org/10.7554/eLife.65088)
+- [DIAMOND](https://doi.org/10.1038/nmeth.3176)
 
-  > Beghini, Francesco, Lauren J McIver, Aitor Blanco-Míguez, Leonard Dubois, Francesco Asnicar, Sagun Maharjan, Ana Mailyan, et al. 2021. “Integrating Taxonomic, Functional, and Strain-Level Profiling of Diverse Microbial Communities with BioBakery 3.” Edited by Peter Turnbaugh, Eduardo Franco, and C Titus Brown. ELife 10 (May): e65088. doi: 10.7554/eLife.65088
+> Buchfink, Benjamin, Chao Xie, and Daniel H. Huson. 2015. “Fast and Sensitive Protein Alignment Using DIAMOND.” Nature Methods 12 (1): 59-60. doi: 10.1038/nmeth.3176.
 
 - [Centrifuge](https://doi.org/10.1101/gr.210641.116)
 
   > Kim, Daehwan, Li Song, Florian P. Breitwieser, and Steven L. Salzberg. 2016. “Centrifuge: Rapid and Sensitive Classification of Metagenomic Sequences.” Genome Research 26 (12): 1721-29. doi: 10.1101/gr.210641.116.
 
-- [DIAMOND](https://doi.org/10.1038/nmeth.3176)
+- [Kaiju](https://doi.org/10.1038/ncomms11257)
 
-> Buchfink, Benjamin, Chao Xie, and Daniel H. Huson. 2015. “Fast and Sensitive Protein Alignment Using DIAMOND.” Nature Methods 12 (1): 59-60. doi: 10.1038/nmeth.3176.
+  > Menzel, P., Ng, K. L., & Krogh, A. (2016). Fast and sensitive taxonomic classification for metagenomics with Kaiju. Nature Communications, 7, 11257. doi: 10.1038/ncomms11257
 
-- [FILTLONG](https://github.com/rrwick/Filtlong)
+- [mOTUs](https://doi.org/10.1186/s40168-022-01410-z)
 
-- [falco](https://doi.org/10.12688/f1000research.21142.2)
+  > Ruscheweyh, H.-J., Milanese, A., Paoli, L., Karcher, N., Clayssen, Q., Keller, M. I., Wirbel, J., Bork, P., Mende, D. R., Zeller, G., & Sunagawa, S. (2022). Cultivation-independent genomes greatly expand taxonomic-profiling capabilities of mOTUs across various environments. Microbiome, 10(1), 212. doi: 10.1186/s40168-022-01410-z
+
+- [Krona](https://doi.org/10.1186/1471-2105-12-385)
 
-> de Sena Brandine G and Smith AD. Falco: high-speed FastQC emulation for quality control of sequencing data. F1000Research 2021, 8:1874
+  > Ondov, Brian D., Nicholas H. Bergman, and Adam M. Phillippy. 2011. Interactive metagenomic visualization in a Web browser. BMC Bioinformatics 12 (1): 385. doi: 10.1186/1471-2105-12-385.
 
 ## Software packaging/containerisation tools
 
diff --git a/README.md b/README.md
index 9c38e9b..1e43ab8 100644
--- a/README.md
+++ b/README.md
@@ -12,8 +12,6 @@
 
 ## Introduction
 
-> ⚠️ This pipeline is still under development! While the pipeline is usable, not all functionality will be available!
-
 **nf-core/taxprofiler** is a bioinformatics best-practice analysis pipeline for taxonomic classification and profiling of shotgun metagenomic data. It allows for in-parallel taxonomic identification of reads or taxonomic abundance estimation with multiple classification and profiling tools against multiple databases, produces standardised output tables.
 
 The pipeline is built using [Nextflow](https://www.nextflow.io), a workflow tool to run tasks across multiple compute infrastructures in a very portable manner. It uses Docker/Singularity containers making installation trivial and results highly reproducible. The [Nextflow DSL2](https://www.nextflow.io/docs/latest/dsl2.html) implementation of this pipeline uses one container per process which makes it much easier to maintain and update software dependencies. Where possible, these processes have been submitted to and installed from [nf-core/modules](https://github.com/nf-core/modules) in order to make them available to all nf-core pipelines, and to everyone within the Nextflow community!
@@ -24,8 +22,6 @@ The nf-core/taxprofiler CI test dataset uses sequencing data from [Maixer et al.
 
 ## Pipeline summary
 
-<!-- TODO nf-core: Fill in short bullet-pointed list of the default steps in the pipeline -->
-
 ![](docs/images/taxprofiler_tube.png)
 
 1. Read QC ([`FastQC`](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/) or [`falco`](https://github.com/smithlabcode/falco) as an alternative option)
@@ -46,7 +42,7 @@ The nf-core/taxprofiler CI test dataset uses sequencing data from [Maixer et al.
    - [KrakenUniq](https://github.com/fbreitwieser/krakenuniq)
 5. Perform optional post-processing with:
    - [bracken](https://ccb.jhu.edu/software/bracken/)
-6. Standardises output tables
+6. Standardises output tables ([`Taxpasta`](https://taxpasta.readthedocs.io))
 7. Present QC for raw reads ([`MultiQC`](http://multiqc.info/))
 8. Plotting Kraken2, Centrifuge, Kaiju and MALT results ([`Krona`](https://hpc.nih.gov/apps/kronatools.html))
 
@@ -98,8 +94,6 @@ For further information or help, don't hesitate to get in touch on the [Slack `#
 <!-- TODO nf-core: Add citation for pipeline after first release. Uncomment lines below and update Zenodo doi and badge at the top of this file. -->
 <!-- If you use  nf-core/taxprofiler for your analysis, please cite it using the following doi: [10.5281/zenodo.XXXXXX](https://doi.org/10.5281/zenodo.XXXXXX) -->
 
-<!-- TODO nf-core: Add bibliography of tools and data used in your pipeline -->
-
 An extensive list of references for the tools used by the pipeline can be found in the [`CITATIONS.md`](CITATIONS.md) file.
 
 You can cite the `nf-core` publication as follows:
diff --git a/conf/base.config b/conf/base.config
index 7470db1..2f63669 100644
--- a/conf/base.config
+++ b/conf/base.config
@@ -10,7 +10,6 @@
 
 process {
 
-    // TODO nf-core: Check the defaults for all processes
     cpus   = { check_max( 1    * task.attempt, 'cpus'   ) }
     memory = { check_max( 6.GB * task.attempt, 'memory' ) }
     time   = { check_max( 4.h  * task.attempt, 'time'   ) }
@@ -24,7 +23,6 @@ process {
     //        These labels are used and recognised by default in DSL2 files hosted on nf-core/modules.
     //        If possible, it would be nice to keep the same label naming convention when
     //        adding in your local modules too.
-    // TODO nf-core: Customise requirements for specific processes.
     // See https://www.nextflow.io/docs/latest/config.html#config-process-selectors
     withLabel:process_single {
         cpus   = { check_max( 1                  , 'cpus'    ) }
diff --git a/docs/output.md b/docs/output.md
index 0d35bdd..cbb04f8 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -6,8 +6,6 @@ This document describes the output produced by the pipeline. Most of the plots a
 
 The directories listed below will be created in the results directory after the pipeline has finished. All paths are relative to the top-level results directory.
 
-<!-- TODO nf-core: Write this documentation describing your workflow's output -->
-
 ## Pipeline overview
 
 The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes data using the following steps:
diff --git a/nextflow.config b/nextflow.config
index 19ca198..885c439 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -9,7 +9,6 @@
 // Global default params, used in configs
 params {
 
-    // TODO nf-core: Specify your pipeline's command line flags
     // Input options
     input                      = null
 
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 12a41f3..e44015f 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -9,13 +9,13 @@ def summary_params = NfcoreSchema.paramsSummaryMap(workflow, params)
 // Validate input parameters
 WorkflowTaxprofiler.initialise(params, log)
 
-// TODO nf-core: Add all file path parameters for the pipeline to the list below
 // Check input path parameters to see if they exist
 def checkPathParamList = [ params.input, params.genome, params.databases,
                             params.outdir, params.longread_hostremoval_index,
                             params.hostremoval_reference, params.shortread_hostremoval_index,
                             params.multiqc_config, params.shortread_qc_adapterlist,
                             params.krona_taxonomy_directory,
+                            params.taxpasta_taxonomy_dir,
                             params.multiqc_logo, params.multiqc_methods_description
                         ]
 for (param in checkPathParamList) { if (param) { file(param, checkIfExists: true) } }
@@ -301,7 +301,6 @@ workflow TAXPROFILER {
         ch_multiqc_files = ch_multiqc_files.mix( STANDARDISATION_PROFILES.out.mqc.collect{it[1]}.ifEmpty([]) )
     }
 
-    // TODO create multiQC module for metaphlan
     MULTIQC (
         ch_multiqc_files.collect(),
         ch_multiqc_config.toList(),

From aedf0b34de16368ad6aa4285fa7a42c051b8f0ac Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 2 Mar 2023 13:51:28 +0100
Subject: [PATCH 697/789] Bump version for release

---
 nextflow.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/nextflow.config b/nextflow.config
index 885c439..f6f3340 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -305,7 +305,7 @@ manifest {
     description     = """Taxonomic profiling of shotgun metagenomic data"""
     mainScript      = 'main.nf'
     nextflowVersion = '!>=22.10.1'
-    version         = '1.0dev'
+    version = '1.0.0'
     doi             = ''
 }
 

From ec89187504eb624948211b1084ca54be6d3b7c94 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 2 Mar 2023 13:53:32 +0100
Subject: [PATCH 698/789] Update CHANGELOG for first release

---
 CHANGELOG.md | 10 +++++++++-
 1 file changed, 9 insertions(+), 1 deletion(-)

diff --git a/CHANGELOG.md b/CHANGELOG.md
index ca0928b..92b9541 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -3,10 +3,18 @@
 The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/)
 and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html).
 
-## v1.0dev - [date]
+## v1.0.0 - Dodgy Dachshund [date]
 
 Initial release of nf-core/taxprofiler, created with the [nf-core](https://nf-co.re/) template.
 
+- Add read quality control (sequencing QC, adapter removal and merging)
+- Add read complexity filtering
+- Add host-reads removal step
+- Add run merging
+- Add taxonomic classification
+- Add taxon table standardisation
+- Add post-classification visualisation
+
 ### `Added`
 
 ### `Fixed`

From 6c2ce4a1c940a6b51b235f8a69c9f8ef15b30b55 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Fri, 3 Mar 2023 08:37:31 +0100
Subject: [PATCH 699/789] Apply suggestions from code review

Co-authored-by: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
---
 .github/PULL_REQUEST_TEMPLATE.md | 3 ++-
 CITATIONS.md                     | 4 ++--
 conf/test_krakenuniq.config      | 9 +++++----
 docs/output.md                   | 6 +++---
 docs/usage.md                    | 2 +-
 nextflow.config                  | 4 ++--
 subworkflows/local/profiling.nf  | 2 +-
 7 files changed, 16 insertions(+), 14 deletions(-)

diff --git a/.github/PULL_REQUEST_TEMPLATE.md b/.github/PULL_REQUEST_TEMPLATE.md
index 333c4f1..ae4285a 100644
--- a/.github/PULL_REQUEST_TEMPLATE.md
+++ b/.github/PULL_REQUEST_TEMPLATE.md
@@ -15,7 +15,8 @@ Learn more about contributing: [CONTRIBUTING.md](https://github.com/nf-core/taxp
 
 - [ ] This comment contains a description of changes (with reason).
 - [ ] If you've fixed a bug or added code that should be tested, add tests!
-- [ ] If you've added a new tool - have you followed the pipeline conventions in the [contribution docs](https://github.com/nf-core/taxprofiler/tree/master/.github/CONTRIBUTING.md)- [ ] If necessary, also make a PR on the nf-core/taxprofiler _branch_ on the [nf-core/test-datasets](https://github.com/nf-core/test-datasets) repository.
+- [ ] If you've added a new tool - have you followed the pipeline conventions in the [contribution docs](https://github.com/nf-core/taxprofiler/tree/master/.github/CONTRIBUTING.md)
+- [ ] If necessary, also make a PR on the nf-core/taxprofiler _branch_ on the [nf-core/test-datasets](https://github.com/nf-core/test-datasets) repository.
 - [ ] Make sure your code lints (`nf-core lint`).
 - [ ] Ensure the test suite passes (`nextflow run . -profile test,docker --outdir <OUTDIR>`).
 - [ ] Usage Documentation in `docs/usage.md` is updated.
diff --git a/CITATIONS.md b/CITATIONS.md
index 2ed0a2b..c9c16ae 100644
--- a/CITATIONS.md
+++ b/CITATIONS.md
@@ -62,7 +62,7 @@
 
   > Breitwieser, Florian P., Daniel N. Baker, and Steven L. Salzberg. 2018. KrakenUniq: confident and fast metagenomics classification using unique k-mer counts. Genome Biology 19 (1): 198. doi: 10.1186/s13059-018-1568-0
 
-  - [MetaPhlAn3](https://doi.org/10.7554/eLife.65088)
+- [MetaPhlAn3](https://doi.org/10.7554/eLife.65088)
 
   > Beghini, Francesco, Lauren J McIver, Aitor Blanco-Míguez, Leonard Dubois, Francesco Asnicar, Sagun Maharjan, Ana Mailyan, et al. 2021. “Integrating Taxonomic, Functional, and Strain-Level Profiling of Diverse Microbial Communities with BioBakery 3.” Edited by Peter Turnbaugh, Eduardo Franco, and C Titus Brown. ELife 10 (May): e65088. doi: 10.7554/eLife.65088
 
@@ -76,7 +76,7 @@
 
 - [DIAMOND](https://doi.org/10.1038/nmeth.3176)
 
-> Buchfink, Benjamin, Chao Xie, and Daniel H. Huson. 2015. “Fast and Sensitive Protein Alignment Using DIAMOND.” Nature Methods 12 (1): 59-60. doi: 10.1038/nmeth.3176.
+  > Buchfink, Benjamin, Chao Xie, and Daniel H. Huson. 2015. “Fast and Sensitive Protein Alignment Using DIAMOND.” Nature Methods 12 (1): 59-60. doi: 10.1038/nmeth.3176.
 
 - [Centrifuge](https://doi.org/10.1101/gr.210641.116)
 
diff --git a/conf/test_krakenuniq.config b/conf/test_krakenuniq.config
index c811cd9..586a4d6 100644
--- a/conf/test_krakenuniq.config
+++ b/conf/test_krakenuniq.config
@@ -45,10 +45,11 @@ params {
     run_motus                             = false
     run_krona                             = true
     krona_taxonomy_directory              = 'https://raw.githubusercontent.com/nf-core/test-datasets/modules/data/genomics/sarscov2/metagenome/krona_taxonomy.tab'
-    malt_save_reads                       = true
-    kraken2_save_reads                    = true
-    centrifuge_save_reads                 = true
-    diamond_save_reads                    = true
+    malt_save_reads                       = false
+    kraken2_save_reads                    = false
+    centrifuge_save_reads                 = false
+    diamond_save_reads                    = false
+    run_profile_standardisation           = true
 }
 
 process {
diff --git a/docs/output.md b/docs/output.md
index cbb04f8..2c02879 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -16,12 +16,12 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d
 - [AdapterRemoval](#adapterremoval) - Adapter trimming for Illumina data
 - [Porechop](#porechop) - Adapter removal for Oxford Nanopore data
 - [BBDuk](#bbduk) - Quality trimming and filtering for Illumina data
-- [PRINSEQ++](#prinseq++) - Quality trimming and filtering for Illunina data
+- [PRINSEQ++](#prinseq) - Quality trimming and filtering for Illunina data
 - [Filtlong](#filtlong) - Quality trimming and filtering for Nanopore data
 - [Bowtie2](#bowtie2) - Host removal for Illumina reads
 - [minimap2](#minimap2) - Host removal for Nanopore reads
-- [SAMtools stats](#samtoolsstats) - Statistics from host removal
-- [SAMtools bam2fq](#samtoolsfastq) - Converts unmapped BAM file to fastq format (minimap2 only)
+- [SAMtools stats](#samtools-stats) - Statistics from host removal
+- [SAMtools bam2fq](#samtools-fastq) - Converts unmapped BAM file to fastq format (minimap2 only)
 - [Bracken](#bracken) - Taxonomic classifier using k-mers and abundance estimations
 - [Kraken2](#kraken2) - Taxonomic classifier using exact k-mer matches
 - [KrakenUniq](#krakenuniq) - Taxonomic classifier that combines the k-mer-based classification and the number of unique k-mers found in each species
diff --git a/docs/usage.md b/docs/usage.md
index 523d92a..3a45752 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -199,7 +199,7 @@ You can optionally save the FASTQ output of the run merging with the `--save_com
 
 > ⚠️ For nanopore data: we do not recommend performing any read preprocessing or complexity filtering if you are using ONTs Guppy toolkit for basecalling and post-processing.
 
-#### Host Removal
+#### Host-Read Removal
 
 Removal of possible-host reads from FASTQ files prior classification/profiling can be activated with `--perform_shortread_hostremoval` or `--perform_longread_hostremoval`.
 
diff --git a/nextflow.config b/nextflow.config
index f6f3340..827b70f 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -102,7 +102,7 @@ params {
     shortread_hostremoval_index            = null
     longread_hostremoval_index             = null
     save_hostremoval_index                 = false
-    save_hostremoval_bam                = false
+    save_hostremoval_bam                  = false
     save_hostremoval_unmapped              = false
 
 
@@ -302,7 +302,7 @@ manifest {
     name            = 'nf-core/taxprofiler'
     author          = """nf-core community"""
     homePage        = 'https://github.com/nf-core/taxprofiler'
-    description     = """Taxonomic profiling of shotgun metagenomic data"""
+    description     = """Taxonomic classification and profiling of shotgun metagenomic data"""
     mainScript      = 'main.nf'
     nextflowVersion = '!>=22.10.1'
     version = '1.0.0'
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index a55dcaf..28ca7e8 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -329,7 +329,7 @@ workflow PROFILING {
                                             reads: [ single_meta + db_meta, reads.flatten() ]
                                             db: db
                                 }
-        // Hardcode to _always_ produce the report file (which is our basic otput, and goes into)
+        // Hardcode to _always_ produce the report file (which is our basic output, and goes into)
         KRAKENUNIQ_PRELOADEDKRAKENUNIQ ( ch_input_for_krakenuniq.reads, ch_input_for_krakenuniq.db, params.krakenuniq_ram_chunk_size, params.krakenuniq_save_reads, true, params.krakenuniq_save_readclassifications )
         ch_multiqc_files       = ch_multiqc_files.mix( KRAKENUNIQ_PRELOADEDKRAKENUNIQ.out.report )
         ch_versions            = ch_versions.mix( KRAKENUNIQ_PRELOADEDKRAKENUNIQ.out.versions.first() )

From 74a534352454e3c2a05292cd0554d9f1e16417cb Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 3 Mar 2023 09:11:10 +0100
Subject: [PATCH 700/789] Add taxpasta to tubemap

---
 docs/images/taxprofiler_tube.pdf |  Bin 61548 -> 62441 bytes
 docs/images/taxprofiler_tube.png |  Bin 706137 -> 731263 bytes
 docs/images/taxprofiler_tube.svg | 1157 +++++++++++++++++++-----------
 3 files changed, 742 insertions(+), 415 deletions(-)

diff --git a/docs/images/taxprofiler_tube.pdf b/docs/images/taxprofiler_tube.pdf
index b0b10bbb2a1e45b1581dc74cd81bd864bb76b9dc..bf696cf199a2e55577dff7c1438ce0d47f0505b0 100644
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From 5feebf8d697265d4d9503c8852348509ec8c48e1 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 3 Mar 2023 09:12:11 +0100
Subject: [PATCH 701/789] Fix linting issues

---
 assets/email_template.html | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/assets/email_template.html b/assets/email_template.html
index f40addd..af9bb07 100644
--- a/assets/email_template.html
+++ b/assets/email_template.html
@@ -4,7 +4,7 @@
   <meta http-equiv="X-UA-Compatible" content="IE=edge">
   <meta name="viewport" content="width=device-width, initial-scale=1">
 
-  <meta name="description" content="nf-core/taxprofiler: Taxonomic profiling of shotgun metagenomic data">
+  <meta name="description" content="nf-core/taxprofiler: Taxonomic classification and profiling of shotgun metagenomic data">
   <title>nf-core/taxprofiler Pipeline Report</title>
 </head>
 <body>

From 6d9cdd3c780bf5a7ae92a3a1483d5c4cf5ecaceb Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 3 Mar 2023 09:15:21 +0100
Subject: [PATCH 702/789] And the other file

---
 .github/PULL_REQUEST_TEMPLATE.md | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/.github/PULL_REQUEST_TEMPLATE.md b/.github/PULL_REQUEST_TEMPLATE.md
index ae4285a..333c4f1 100644
--- a/.github/PULL_REQUEST_TEMPLATE.md
+++ b/.github/PULL_REQUEST_TEMPLATE.md
@@ -15,8 +15,7 @@ Learn more about contributing: [CONTRIBUTING.md](https://github.com/nf-core/taxp
 
 - [ ] This comment contains a description of changes (with reason).
 - [ ] If you've fixed a bug or added code that should be tested, add tests!
-- [ ] If you've added a new tool - have you followed the pipeline conventions in the [contribution docs](https://github.com/nf-core/taxprofiler/tree/master/.github/CONTRIBUTING.md)
-- [ ] If necessary, also make a PR on the nf-core/taxprofiler _branch_ on the [nf-core/test-datasets](https://github.com/nf-core/test-datasets) repository.
+- [ ] If you've added a new tool - have you followed the pipeline conventions in the [contribution docs](https://github.com/nf-core/taxprofiler/tree/master/.github/CONTRIBUTING.md)- [ ] If necessary, also make a PR on the nf-core/taxprofiler _branch_ on the [nf-core/test-datasets](https://github.com/nf-core/test-datasets) repository.
 - [ ] Make sure your code lints (`nf-core lint`).
 - [ ] Ensure the test suite passes (`nextflow run . -profile test,docker --outdir <OUTDIR>`).
 - [ ] Usage Documentation in `docs/usage.md` is updated.

From c66c67524cfb5b11723ad8926edfa07a39bbcbac Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Fri, 3 Mar 2023 13:33:41 +0100
Subject: [PATCH 703/789] Update nextflow.config

Co-authored-by: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
---
 nextflow.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/nextflow.config b/nextflow.config
index 827b70f..c4567a9 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -102,7 +102,7 @@ params {
     shortread_hostremoval_index            = null
     longread_hostremoval_index             = null
     save_hostremoval_index                 = false
-    save_hostremoval_bam                  = false
+    save_hostremoval_bam                    = false
     save_hostremoval_unmapped              = false
 
 

From f0f89eb08252a4b06979ac91162e15ea4abaf676 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Fri, 3 Mar 2023 14:58:21 +0100
Subject: [PATCH 704/789] Apply suggestions from code review

Co-authored-by: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
---
 docs/output.md  | 2 +-
 nextflow.config | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/docs/output.md b/docs/output.md
index 2c02879..0a2e2d0 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -21,7 +21,7 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d
 - [Bowtie2](#bowtie2) - Host removal for Illumina reads
 - [minimap2](#minimap2) - Host removal for Nanopore reads
 - [SAMtools stats](#samtools-stats) - Statistics from host removal
-- [SAMtools bam2fq](#samtools-fastq) - Converts unmapped BAM file to fastq format (minimap2 only)
+- [SAMtools bam2fq](#samtools-bam2fq) - Converts unmapped BAM file to fastq format (minimap2 only)
 - [Bracken](#bracken) - Taxonomic classifier using k-mers and abundance estimations
 - [Kraken2](#kraken2) - Taxonomic classifier using exact k-mer matches
 - [KrakenUniq](#krakenuniq) - Taxonomic classifier that combines the k-mer-based classification and the number of unique k-mers found in each species
diff --git a/nextflow.config b/nextflow.config
index c4567a9..e08a1dc 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -305,7 +305,7 @@ manifest {
     description     = """Taxonomic classification and profiling of shotgun metagenomic data"""
     mainScript      = 'main.nf'
     nextflowVersion = '!>=22.10.1'
-    version = '1.0.0'
+    version            = '1.0.0'
     doi             = ''
 }
 

From a5138ed6e0250eeb91ece5b2fb03c4037240fb83 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 6 Mar 2023 08:17:50 +0100
Subject: [PATCH 705/789] Fix ugly warn when KAIJU2TABLE not run

---
 conf/modules.config                           |  4 +--
 subworkflows/local/profiling.nf               | 26 +++++++++----------
 .../local/standardisation_profiles.nf         | 10 +++----
 3 files changed, 20 insertions(+), 20 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index defef95..41b3717 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -486,7 +486,7 @@ process {
         ext.args = { "${meta.db_params}" }
     }
 
-    withName: '.*PROFILING:KAIJU_KAIJU2TABLE' {
+    withName: 'KAIJU_KAIJU2TABLE_SINGLE' {
         ext.prefix = params.perform_runmerging ? { "${meta.id}_${meta.db_name}.kaijutable" } : { "${meta.id}_${meta.run_accession}_${meta.db_name}.kaijutable" }
         publishDir = [
             path: { "${params.outdir}/kaiju/${meta.db_name}/" },
@@ -495,7 +495,7 @@ process {
         ]
     }
 
-    withName: '.*STANDARDISATION_PROFILES:KAIJU_KAIJU2TABLE' {
+    withName: 'KAIJU_KAIJU2TABLE_COMBINED' {
         ext.prefix = { "kaiju_${meta.id}_combined_reports" }
         publishDir = [
             path: { "${params.outdir}/kaiju/" },
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 28ca7e8..85885fc 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -2,19 +2,19 @@
 // Run profiling
 //
 
-include { MALT_RUN                              } from '../../modules/nf-core/malt/run/main'
-include { MEGAN_RMA2INFO as MEGAN_RMA2INFO_TSV  } from '../../modules/nf-core/megan/rma2info/main'
-include { KRAKEN2_KRAKEN2                       } from '../../modules/nf-core/kraken2/kraken2/main'
-include { KRAKEN2_STANDARD_REPORT               } from '../../modules/local/kraken2_standard_report'
-include { BRACKEN_BRACKEN                       } from '../../modules/nf-core/bracken/bracken/main'
-include { CENTRIFUGE_CENTRIFUGE                 } from '../../modules/nf-core/centrifuge/centrifuge/main'
-include { CENTRIFUGE_KREPORT                    } from '../../modules/nf-core/centrifuge/kreport/main'
-include { METAPHLAN3_METAPHLAN3                 } from '../../modules/nf-core/metaphlan3/metaphlan3/main'
-include { KAIJU_KAIJU                           } from '../../modules/nf-core/kaiju/kaiju/main'
-include { KAIJU_KAIJU2TABLE                     } from '../../modules/nf-core/kaiju/kaiju2table/main'
-include { DIAMOND_BLASTX                        } from '../../modules/nf-core/diamond/blastx/main'
-include { MOTUS_PROFILE                         } from '../../modules/nf-core/motus/profile/main'
-include { KRAKENUNIQ_PRELOADEDKRAKENUNIQ        } from '../../modules/nf-core/krakenuniq/preloadedkrakenuniq/main'
+include { MALT_RUN                                      } from '../../modules/nf-core/malt/run/main'
+include { MEGAN_RMA2INFO as MEGAN_RMA2INFO_TSV          } from '../../modules/nf-core/megan/rma2info/main'
+include { KRAKEN2_KRAKEN2                               } from '../../modules/nf-core/kraken2/kraken2/main'
+include { KRAKEN2_STANDARD_REPORT                       } from '../../modules/local/kraken2_standard_report'
+include { BRACKEN_BRACKEN                               } from '../../modules/nf-core/bracken/bracken/main'
+include { CENTRIFUGE_CENTRIFUGE                         } from '../../modules/nf-core/centrifuge/centrifuge/main'
+include { CENTRIFUGE_KREPORT                            } from '../../modules/nf-core/centrifuge/kreport/main'
+include { METAPHLAN3_METAPHLAN3                         } from '../../modules/nf-core/metaphlan3/metaphlan3/main'
+include { KAIJU_KAIJU                                   } from '../../modules/nf-core/kaiju/kaiju/main'
+include { KAIJU_KAIJU2TABLE as KAIJU_KAIJU2TABLE_SINGLE } from '../../modules/nf-core/kaiju/kaiju2table/main'
+include { DIAMOND_BLASTX                                } from '../../modules/nf-core/diamond/blastx/main'
+include { MOTUS_PROFILE                                 } from '../../modules/nf-core/motus/profile/main'
+include { KRAKENUNIQ_PRELOADEDKRAKENUNIQ                } from '../../modules/nf-core/krakenuniq/preloadedkrakenuniq/main'
 
 workflow PROFILING {
     take:
diff --git a/subworkflows/local/standardisation_profiles.nf b/subworkflows/local/standardisation_profiles.nf
index ce1ef23..26355b7 100644
--- a/subworkflows/local/standardisation_profiles.nf
+++ b/subworkflows/local/standardisation_profiles.nf
@@ -3,7 +3,7 @@
 //
 
 include { BRACKEN_COMBINEBRACKENOUTPUTS                                         } from '../../modules/nf-core/bracken/combinebrackenoutputs/main'
-include { KAIJU_KAIJU2TABLE                                                     } from '../../modules/nf-core/kaiju/kaiju2table/main'
+include { KAIJU_KAIJU2TABLE as KAIJU_KAIJU2TABLE_COMBINED                       } from '../../modules/nf-core/kaiju/kaiju2table/main'
 include { KRAKENTOOLS_COMBINEKREPORTS as KRAKENTOOLS_COMBINEKREPORTS_KRAKEN     } from '../../modules/nf-core/krakentools/combinekreports/main'
 include { KRAKENTOOLS_COMBINEKREPORTS as KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE } from '../../modules/nf-core/krakentools/combinekreports/main'
 include { METAPHLAN3_MERGEMETAPHLANTABLES                                       } from '../../modules/nf-core/metaphlan3/mergemetaphlantables/main'
@@ -103,9 +103,9 @@ workflow STANDARDISATION_PROFILES {
                                     [[id:it[0]], it[1]]
                                 }
 
-    KAIJU_KAIJU2TABLE ( ch_profiles_for_kaiju, ch_input_databases.kaiju.map{it[1]}, params.kaiju_taxon_rank)
-    ch_multiqc_files = ch_multiqc_files.mix( KAIJU_KAIJU2TABLE.out.summary )
-    ch_versions = ch_versions.mix( KAIJU_KAIJU2TABLE.out.versions )
+    KAIJU_KAIJU2TABLE_COMBINED ( ch_profiles_for_kaiju, ch_input_databases.kaiju.map{it[1]}, params.kaiju_taxon_rank)
+    ch_multiqc_files = ch_multiqc_files.mix( KAIJU_KAIJU2TABLE_COMBINED.out.summary )
+    ch_versions = ch_versions.mix( KAIJU_KAIJU2TABLE_COMBINED.out.versions )
 
     // Kraken2
 
@@ -151,7 +151,7 @@ workflow STANDARDISATION_PROFILES {
 
     MOTUS_MERGE ( ch_profiles_for_motus, ch_input_databases.motus.map{it[1]}, motu_version )
     ch_versions = ch_versions.mix( MOTUS_MERGE.out.versions )
-    
+
     emit:
     taxpasta = TAXPASTA_MERGE.out.merged_profiles
     versions = ch_versions

From 1f1c63bb510e9e21a5c862481f8bc2d763cb2ce1 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 6 Mar 2023 09:47:26 +0100
Subject: [PATCH 706/789] Start fixing FastQC/Falco display in MultiQC

---
 assets/multiqc_config.yml | 24 ++++++++++++++++++++----
 1 file changed, 20 insertions(+), 4 deletions(-)

diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml
index 71b56fd..e6f1a85 100644
--- a/assets/multiqc_config.yml
+++ b/assets/multiqc_config.yml
@@ -39,6 +39,10 @@ sp:
   diamond:
     contents: "diamond v"
     num_lines: 10
+  fastqc/data:
+    fn_re: ".*[fastqc|falco]_data.txt"
+  fastqc/zip:
+    fn: "*_fastqc.zip"
 
 #extra_fn_clean_exts:
 #    - '_fastp'
@@ -49,11 +53,17 @@ top_modules:
   - "fastqc":
       name: "FastQC (pre-Trimming)"
       path_filters:
-        - "*raw_*fastqc.zip"
+        - "*raw*"
+      path_filters_exclude:
+        - "*falco*"
+        - "*processed*"
   - "fastqc":
       name: "Falco (pre-Trimming)"
       path_filters:
-        - "*_raw_falco_*_report.html"
+        - "*raw*"
+        - "*[falco]*"
+      path_filters_exclude:
+        - "*processed*"
   - "fastp"
   - "adapterRemoval"
   - "porechop":
@@ -61,11 +71,17 @@ top_modules:
   - "fastqc":
       name: "FastQC (post-Trimming)"
       path_filters:
-        - "*_processed_*fastqc.zip"
+        - "*processed*"
+      path_filters_exclude:
+        - "*falco*"
+        - "*raw*"
   - "fastqc":
       name: "Falco (post-Trimming)"
       path_filters:
-        - "*_processed_falco_*_report.html"
+        - "*processed*"
+        - "*falco*"
+      path_filters_exclude:
+        - "*raw*"
   - "bbduk"
   - "prinseqplusplus"
   - "filtlong"

From 9ed384e0f2805ab9f1f4312be7d63ac25a2b9732 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 6 Mar 2023 10:37:09 +0100
Subject: [PATCH 707/789] Collapse FALCO and FASTQC sections, move FALCO/FASTQC
 sections together

---
 assets/multiqc_config.yml | 103 ++++++++++----------------------------
 1 file changed, 27 insertions(+), 76 deletions(-)

diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml
index e6f1a85..50c18a1 100644
--- a/assets/multiqc_config.yml
+++ b/assets/multiqc_config.yml
@@ -51,37 +51,23 @@ sp:
 
 top_modules:
   - "fastqc":
-      name: "FastQC (pre-Trimming)"
+      name: "FastQC / Falco (pre-Trimming)"
       path_filters:
         - "*raw*"
       path_filters_exclude:
-        - "*falco*"
         - "*processed*"
+      extra: "If used in this run, Falco is a drop-in replacement for FastQC producing the same output, written by Guilherme de Sena Brandine and Andrew D. Smith."
   - "fastqc":
-      name: "Falco (pre-Trimming)"
+      name: "FastQC / Falco (post-Trimming)"
       path_filters:
-        - "*raw*"
-        - "*[falco]*"
-      path_filters_exclude:
         - "*processed*"
+      path_filters_exclude:
+        - "*raw*"
+      extra: "If used in this run, Falco is a drop-in replacement for FastQC producing the same output, written by Guilherme de Sena Brandine and Andrew D. Smith."
   - "fastp"
   - "adapterRemoval"
   - "porechop":
       extra: "ℹ️: if you get the error message 'Error - was not able to plot data.' this means that porechop did not detect any adapters and therefore no statistics generated."
-  - "fastqc":
-      name: "FastQC (post-Trimming)"
-      path_filters:
-        - "*processed*"
-      path_filters_exclude:
-        - "*falco*"
-        - "*raw*"
-  - "fastqc":
-      name: "Falco (post-Trimming)"
-      path_filters:
-        - "*processed*"
-        - "*falco*"
-      path_filters_exclude:
-        - "*raw*"
   - "bbduk"
   - "prinseqplusplus"
   - "filtlong"
@@ -121,19 +107,20 @@ top_modules:
 #It is not possible to set placement for custom kraken and centrifuge columns.
 
 table_columns_placement:
-  FastQC (pre-Trimming):
+  FastQC / Falco (pre-Trimming):
     total_sequences: 100
     avg_sequence_length: 110
     median_sequence_length: 120
     percent_duplicates: 130
     percent_gc: 140
     percent_fails: 150
-  Falco (pre-Trimming):
+  FastQC / Falco (post-Trimming):
     total_sequences: 200
     avg_sequence_length: 210
-    percent_duplicates: 220
-    percent_gc: 230
-    percent_fails: 240
+    median_sequence_length: 220
+    percent_duplicates: 230
+    percent_gc: 240
+    percent_fails: 250
   fastp:
     pct_adapter: 300
     pct_surviving: 310
@@ -157,19 +144,6 @@ table_columns_placement:
     Middle Split Percent: 460
   Filtlong:
     Target bases: 500
-  FastQC (post-Trimming):
-    total_sequences: 600
-    avg_sequence_length: 610
-    median_sequence_length: 620
-    percent_duplicates: 630
-    percent_gc: 640
-    percent_fails: 650
-  Falco (post-Trimming):
-    total_sequences: 700
-    avg_sequence_length: 710
-    percent_duplicates: 720
-    percent_gc: 730
-    percent_fails: 740
   BBDuk:
     Input reads: 800
     Total Removed bases percent: 810
@@ -221,25 +195,18 @@ table_columns_placement:
     "Number of ext-mOTUs": 1880
 
 table_columns_visible:
-  FastQC (pre-Trimming):
+  FastQC / Falco (pre-Trimming):
     total_sequences: True
     avg_sequence_length: True
     percent_duplicates: True
     percent_gc: True
     percent_fails: False
-  Falco (pre-Trimming):
+  FastQC / Falco (post-Trimming):
     total_sequences: True
     avg_sequence_length: True
-    percent_duplicates: True
-    percent_gc: True
+    percent_duplicates: False
+    percent_gc: False
     percent_fails: False
-  fastp:
-    pct_adapter: True
-    pct_surviving: True
-    pct_duplication: False
-    after_filtering_gc_content: False
-    after_filtering_q30_rate: False
-    after_filtering_q30_bases: False
   porechop:
     Input reads: False
     Start Trimmed:
@@ -248,6 +215,13 @@ table_columns_visible:
     End Trimmed Percent: True
     Middle Split: False
     Middle Split Percent: True
+  fastp:
+    pct_adapter: True
+    pct_surviving: True
+    pct_duplication: False
+    after_filtering_gc_content: False
+    after_filtering_q30_rate: False
+    after_filtering_q30_bases: False
   Filtlong:
     Target bases: True
   Adapter Removal:
@@ -255,18 +229,6 @@ table_columns_visible:
     percent_aligned: True
     percent_collapsed: True
     percent_discarded: False
-  FastQC (post-Trimming):
-    total_sequences: True
-    avg_sequence_length: True
-    percent_duplicates: False
-    percent_gc: False
-    percent_fails: False
-  Falco (post-Trimming):
-    total_sequences: True
-    avg_sequence_length: True
-    percent_duplicates: False
-    percent_gc: False
-    percent_fails: False
   BBDuk:
     Input reads: False
     Total Removed bases Percent: False
@@ -294,25 +256,13 @@ table_columns_visible:
   motus: False
 
 table_columns_name:
-  FastQC (pre-Trimming):
+  FastQC / Falco (pre-Trimming):
     total_sequences: "Nr. Input Reads"
     avg_sequence_length: "Length Input Reads"
     percent_gc: "% GC Input Reads"
     percent_duplicates: "% Dups Input Reads"
     percent_fails: "% Failed Input Reads"
-  Falco (pre-Trimming):
-    total_sequences: "Nr. Input Reads"
-    avg_sequence_length: "Length Input Reads"
-    percent_gc: "% GC Input Reads"
-    percent_duplicates: "% Dups Input Reads"
-    percent_fails: "% Failed Input Reads"
-  FastQC (post-Trimming):
-    total_sequences: "Nr. Processed Reads"
-    avg_sequence_length: "Length Processed Reads"
-    percent_gc: "% GC Processed Reads"
-    percent_duplicates: "% Dups Processed Reads"
-    percent_fails: "% Failed Processed Reads"
-  Falco (post-Trimming):
+  FastQC / Falco (post-Trimming):
     total_sequences: "Nr. Processed Reads"
     avg_sequence_length: "Length Processed Reads"
     percent_gc: "% GC Processed Reads"
@@ -330,7 +280,8 @@ extra_fn_clean_exts:
   - ".bbduk"
   - ".unmapped"
   - "_filtered"
-  - "_processed"
+  - type: remove
+    pattern: "_falco"
 
 section_comments:
   general_stats: "By default, all read count columns are displayed as millions (M) of reads."

From 4938549d65d53c79d53cd1d3908294102e4968d9 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 6 Mar 2023 10:41:32 +0100
Subject: [PATCH 708/789] Clarify some documentation

---
 docs/output.md | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/docs/output.md b/docs/output.md
index 0a2e2d0..0620292 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -35,19 +35,21 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d
 - [MultiQC](#multiqc) - Aggregate report describing results and QC from the whole pipeline
 - [Pipeline information](#pipeline-information) - Report metrics generated during the workflow execution
 
-### FastQC or falco
+### FastQC or Falco
 
 <details markdown="1">
 <summary>Output files</summary>
 
 - `fastqc/`
-  - `*_fastqc.html`: FastQC report containing quality metrics.
-  - `*_fastqc.zip`: Zip archive containing the FastQC report, tab-delimited data file and plot images.
+  - `*_fastqc.html`: FastQC or Falco report containing quality metrics.
+  - `*_fastqc.zip`: Zip archive containing the FastQC report, tab-delimited data file and plot images (FastQC only).
 
 </details>
 
 [FastQC](http://www.bioinformatics.babraham.ac.uk/projects/fastqc/) gives general quality metrics about your sequenced reads. It provides information about the quality score distribution across your reads, per base sequence content (%A/T/G/C), adapter contamination and overrepresented sequences. For further reading and documentation see the [FastQC help pages](http://www.bioinformatics.babraham.ac.uk/projects/fastqc/Help/).
 
+If preprocessing is turned on, nf-core/taxprofiler runs FastQC/Falco twice -once before and once after adapter removal/read merging, to allow evaluation of the performance of these preprocessing steps. Note in the General Stats table, the columns of these two instances of FastQC/Falco are placed next to each other to make it easier to evaluate. However, the columns of the actual preprocessing steps (e.g., fastp or AdapterRemoval) will be displayed _after_ the two FastQC/Falco columns, even if they were run 'between' the two FastQC/Falco jobs in the pipeline itself.
+
 > ℹ️ Falco produces identical output to FastQC but in the `falco/` directory.
 
 ![MultiQC - FastQC sequence counts plot](images/mqc_fastqc_counts.png)
@@ -56,8 +58,6 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d
 
 ![MultiQC - FastQC adapter content plot](images/mqc_fastqc_adapter.png)
 
-> **NB:** The FastQC plots displayed in the MultiQC report shows _untrimmed_ reads. They may contain adapter sequence and potentially regions with low quality.
-
 ### fastp
 
 [fastp](https://github.com/OpenGene/fastp) is a FASTQ pre-processing tool for quality control, trimmming of adapters, quality filtering and other features.

From a2a1b9cbf01a695d912583ea4dbcb71c7a7fc33f Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 6 Mar 2023 10:42:30 +0100
Subject: [PATCH 709/789] Phrasing tweak

---
 docs/output.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/output.md b/docs/output.md
index 0620292..357194c 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -48,7 +48,7 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d
 
 [FastQC](http://www.bioinformatics.babraham.ac.uk/projects/fastqc/) gives general quality metrics about your sequenced reads. It provides information about the quality score distribution across your reads, per base sequence content (%A/T/G/C), adapter contamination and overrepresented sequences. For further reading and documentation see the [FastQC help pages](http://www.bioinformatics.babraham.ac.uk/projects/fastqc/Help/).
 
-If preprocessing is turned on, nf-core/taxprofiler runs FastQC/Falco twice -once before and once after adapter removal/read merging, to allow evaluation of the performance of these preprocessing steps. Note in the General Stats table, the columns of these two instances of FastQC/Falco are placed next to each other to make it easier to evaluate. However, the columns of the actual preprocessing steps (e.g., fastp or AdapterRemoval) will be displayed _after_ the two FastQC/Falco columns, even if they were run 'between' the two FastQC/Falco jobs in the pipeline itself.
+If preprocessing is turned on, nf-core/taxprofiler runs FastQC/Falco twice -once before and once after adapter removal/read merging, to allow evaluation of the performance of these preprocessing steps. Note in the General Stats table, the columns of these two instances of FastQC/Falco are placed next to each other to make it easier to evaluate. However, the columns of the actual preprocessing steps (i.e, fastp, AdapterRemoval, and Porechop) will be displayed _after_ the two FastQC/Falco columns, even if they were run 'between' the two FastQC/Falco jobs in the pipeline itself.
 
 > ℹ️ Falco produces identical output to FastQC but in the `falco/` directory.
 

From 735212c9eeea3fb94b2d526e6335bf7b081ffdb9 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 6 Mar 2023 10:47:36 +0100
Subject: [PATCH 710/789] Fix the non-updated KAIJU2TABLE name

---
 subworkflows/local/profiling.nf | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 85885fc..858d3aa 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -272,10 +272,10 @@ workflow PROFILING {
         ch_versions = ch_versions.mix( KAIJU_KAIJU.out.versions.first() )
         ch_raw_classifications = ch_raw_classifications.mix( KAIJU_KAIJU.out.results )
 
-        KAIJU_KAIJU2TABLE ( KAIJU_KAIJU.out.results, ch_input_for_kaiju.db, params.kaiju_taxon_rank)
-        ch_versions = ch_versions.mix( KAIJU_KAIJU2TABLE.out.versions )
-        ch_multiqc_files = ch_multiqc_files.mix( KAIJU_KAIJU2TABLE.out.summary )
-        ch_raw_profiles    = ch_raw_profiles.mix( KAIJU_KAIJU2TABLE.out.summary )
+        KAIJU_KAIJU2TABLE_SINGLE ( KAIJU_KAIJU_SINGLE.out.results, ch_input_for_kaiju.db, params.kaiju_taxon_rank)
+        ch_versions = ch_versions.mix( KAIJU_KAIJU2TABLE_SINGLE.out.versions )
+        ch_multiqc_files = ch_multiqc_files.mix( KAIJU_KAIJU2TABLE_SINGLE.out.summary )
+        ch_raw_profiles    = ch_raw_profiles.mix( KAIJU_KAIJU2TABLE_SINGLE.out.summary )
     }
 
     if ( params.run_diamond ) {

From 6e64c2b5a9cdabf47c52f275443791cb47dc6b6f Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 6 Mar 2023 10:50:36 +0100
Subject: [PATCH 711/789] Fix copy paste error

---
 subworkflows/local/profiling.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 858d3aa..0f9951e 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -272,7 +272,7 @@ workflow PROFILING {
         ch_versions = ch_versions.mix( KAIJU_KAIJU.out.versions.first() )
         ch_raw_classifications = ch_raw_classifications.mix( KAIJU_KAIJU.out.results )
 
-        KAIJU_KAIJU2TABLE_SINGLE ( KAIJU_KAIJU_SINGLE.out.results, ch_input_for_kaiju.db, params.kaiju_taxon_rank)
+        KAIJU_KAIJU2TABLE_SINGLE ( KAIJU_KAIJU.out.results, ch_input_for_kaiju.db, params.kaiju_taxon_rank)
         ch_versions = ch_versions.mix( KAIJU_KAIJU2TABLE_SINGLE.out.versions )
         ch_multiqc_files = ch_multiqc_files.mix( KAIJU_KAIJU2TABLE_SINGLE.out.summary )
         ch_raw_profiles    = ch_raw_profiles.mix( KAIJU_KAIJU2TABLE_SINGLE.out.summary )

From 2d9dede6d41cc8d96f5f610ec8528c2249f30e56 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Mon, 6 Mar 2023 12:59:08 +0100
Subject: [PATCH 712/789] Improve python regex

---
 assets/multiqc_config.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml
index 50c18a1..2e88ebd 100644
--- a/assets/multiqc_config.yml
+++ b/assets/multiqc_config.yml
@@ -40,7 +40,7 @@ sp:
     contents: "diamond v"
     num_lines: 10
   fastqc/data:
-    fn_re: ".*[fastqc|falco]_data.txt"
+    fn_re: ".*(fastqc|falco)_data.txt$"
   fastqc/zip:
     fn: "*_fastqc.zip"
 

From b5a2983c5f6fa148f4ceb9824b77f05d5bfea9a4 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 7 Mar 2023 11:06:35 +0100
Subject: [PATCH 713/789] Make modules entries consistent

---
 conf/modules.config | 30 +++++++++++++++---------------
 1 file changed, 15 insertions(+), 15 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 41b3717..e74e1a9 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -196,8 +196,8 @@ process {
         publishDir = [
             path: { "${params.outdir}/bowtie2/build" },
             mode: params.publish_dir_mode,
-            enabled: params.save_hostremoval_index,
-            pattern: 'bowtie2'
+            pattern: 'bowtie2',
+            enabled: params.save_hostremoval_index
         ]
     }
 
@@ -213,14 +213,14 @@ process {
             [
                 path: { "${params.outdir}/bowtie2/align" },
                 mode: params.publish_dir_mode,
-                enabled: params.save_hostremoval_bam,
-                pattern: '*.bam'
+                pattern: '*.bam',
+                enabled: params.save_hostremoval_bam
             ],
             [
                 path: { "${params.outdir}/bowtie2/align" },
                 mode: params.publish_dir_mode,
-                enabled: params.save_hostremoval_unmapped,
-                pattern: '*.fastq.gz'
+                pattern: '*.fastq.gz',
+                enabled: params.save_hostremoval_unmapped
             ]
         ]
     }
@@ -230,8 +230,8 @@ process {
         publishDir = [
             path: { "${params.outdir}/minimap2/index" },
             mode: params.publish_dir_mode,
-            enabled: params.save_hostremoval_index,
-            pattern: '*.mmi'
+            pattern: '*.mmi',
+            enabled: params.save_hostremoval_index
         ]
     }
 
@@ -240,8 +240,8 @@ process {
         publishDir = [
             path: { "${params.outdir}/minimap2/align" },
             mode: params.publish_dir_mode,
-            enabled: params.save_hostremoval_bam,
-            pattern: '*.bam'
+            pattern: '*.bam',
+            enabled: params.save_hostremoval_bam
         ]
     }
 
@@ -255,8 +255,8 @@ process {
         publishDir = [
             path: { "${params.outdir}/samtools/bam2fq" },
             mode: params.publish_dir_mode,
-            enabled: params.save_hostremoval_unmapped,
-            pattern: '*.fq.gz'
+            pattern: '*.fq.gz',
+            enabled: params.save_hostremoval_unmapped
         ]
     }
 
@@ -446,13 +446,13 @@ process {
     }
 
     withName: CENTRIFUGE_CENTRIFUGE {
+        ext.args = { "${meta.db_params}" }
+        ext.prefix = params.perform_runmerging ? { "${meta.id}_${meta.db_name}.centrifuge" } : { "${meta.id}_${meta.run_accession}_${meta.db_name}.centrifuge" }
         publishDir = [
             path: { "${params.outdir}/centrifuge/${meta.db_name}/" },
             mode: params.publish_dir_mode,
             pattern: '*.{txt,sam,gz}'
         ]
-        ext.args = { "${meta.db_params}" }
-        ext.prefix = params.perform_runmerging ? { "${meta.id}_${meta.db_name}.centrifuge" } : { "${meta.id}_${meta.run_accession}_${meta.db_name}.centrifuge" }
     }
 
     withName: CENTRIFUGE_KREPORT {
@@ -477,13 +477,13 @@ process {
     }
 
     withName: KAIJU_KAIJU {
+        ext.args = { "${meta.db_params}" }
         ext.prefix = params.perform_runmerging ? { "${meta.id}_${meta.db_name}.kaiju" } : { "${meta.id}_${meta.run_accession}_${meta.db_name}.kaiju" }
         publishDir = [
             path: { "${params.outdir}/kaiju/${meta.db_name}/" },
             mode: params.publish_dir_mode,
             pattern: '*.tsv'
         ]
-        ext.args = { "${meta.db_params}" }
     }
 
     withName: 'KAIJU_KAIJU2TABLE_SINGLE' {

From 8ca9fad3b1a6387e921852a5358fdef9133aeba6 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 7 Mar 2023 11:09:25 +0100
Subject: [PATCH 714/789] move errorStrategy to config

---
 conf/base.config    | 13 +++++++++++++
 conf/modules.config |  3 ---
 2 files changed, 13 insertions(+), 3 deletions(-)

diff --git a/conf/base.config b/conf/base.config
index 2f63669..7c454dc 100644
--- a/conf/base.config
+++ b/conf/base.config
@@ -60,6 +60,19 @@ process {
     withName:CUSTOM_DUMPSOFTWAREVERSIONS {
         cache = false
     }
+
+    withName: BRACKEN_BRACKEN {
+        errorStrategy = 'ignore'
+    }
+
+    withName: CENTRIFUGE_KREPORT {
+        errorStrategy = {task.exitStatus == 255 ? 'ignore' : 'retry'}
+    }
+
+    withName: KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE {
+        errorStrategy = { task.exitStatus in [255,1] ? 'ignore' : 'retry' }
+    }
+
     withName: MEGAN_RMA2INFO_TSV {
         cpus   = { check_max( 1                  , 'cpus'    ) }
         memory = { check_max( 6.GB * task.attempt, 'memory'  ) }
diff --git a/conf/modules.config b/conf/modules.config
index e74e1a9..ee1a3d2 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -354,7 +354,6 @@ process {
     }
 
     withName: BRACKEN_BRACKEN {
-        errorStrategy = 'ignore'
         ext.args = { "${meta.db_params}" }
         ext.prefix = params.perform_runmerging ? { "${meta.id}_${meta.db_name}.bracken" } : { "${meta.id}_${meta.run_accession}_${meta.db_name}.bracken" }
         publishDir = [
@@ -456,7 +455,6 @@ process {
     }
 
     withName: CENTRIFUGE_KREPORT {
-        errorStrategy = {task.exitStatus == 255 ? 'ignore' : 'retry'}
         ext.args = { "${meta.db_params}" }
         ext.prefix = params.perform_runmerging ? { "${meta.id}_${meta.db_name}.centrifuge" } : { "${meta.id}_${meta.run_accession}_${meta.db_name}.centrifuge" }
         publishDir = [
@@ -467,7 +465,6 @@ process {
     }
 
     withName: KRAKENTOOLS_COMBINEKREPORTS_CENTRIFUGE {
-        errorStrategy = { task.exitStatus in [255,1] ? 'ignore' : 'retry' }
         ext.prefix = { "centrifuge_${meta.id}_combined_reports" }
         publishDir = [
             path: { "${params.outdir}/centrifuge/" },

From e92196cd12fc693dd9c205b8a417cd63582f61f7 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 7 Mar 2023 11:10:10 +0100
Subject: [PATCH 715/789] Remove left over comment

---
 assets/multiqc_config.yml | 5 -----
 1 file changed, 5 deletions(-)

diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml
index 2e88ebd..f13d775 100644
--- a/assets/multiqc_config.yml
+++ b/assets/multiqc_config.yml
@@ -44,11 +44,6 @@ sp:
   fastqc/zip:
     fn: "*_fastqc.zip"
 
-#extra_fn_clean_exts:
-#    - '_fastp'
-#    - '.pe.settings'
-#    - '.se.settings'
-
 top_modules:
   - "fastqc":
       name: "FastQC / Falco (pre-Trimming)"

From 91a7a03f4836fab8ef303a19784442997cae34ff Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Tue, 7 Mar 2023 11:27:19 +0100
Subject: [PATCH 716/789] Apply suggestions from code review

Co-authored-by: FriederikeHanssen <Friederike.hanssen@qbic.uni-tuebingen.de>
---
 docs/usage.md                  | 2 +-
 lib/WorkflowTaxprofiler.groovy | 5 -----
 2 files changed, 1 insertion(+), 6 deletions(-)

diff --git a/docs/usage.md b/docs/usage.md
index 3a45752..10c5ce6 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -17,7 +17,7 @@ Both contain metadata and paths to the data of your input samples and databases.
 
 When running nf-core/taxprofiler, every step and tool is 'opt in'. To run a given classifier or profiler you must make sure to supply both a database in your `<database>.csv` and supply `--run_<profiler>` flag to your command. Omitting either will result in the profiling tool not executing.
 
-nf-core/profiler also includes optional pre-processing (adapter clipping, merge running etc.) or post-processing (visualisation) steps. These are also opt in with a `--perform_<step>` flag. In some cases, the pre- and post-processing steps may also require additional files. Please check the parameters tab of this documentation for more information.
+nf-core/taxprofiler also includes optional pre-processing (adapter clipping, merge running etc.) or post-processing (visualisation) steps. These are also opt in with a `--perform_<step>` flag. In some cases, the pre- and post-processing steps may also require additional files. Please check the parameters tab of this documentation for more information.
 
 Please see the rest of this page for information about how to prepare input samplesheets and databases and how to run Nextflow pipelines. See the [parameters](https://nf-co.re/taxprofiler/parameters) documentation for more information about specific options the pipeline also offers.
 
diff --git a/lib/WorkflowTaxprofiler.groovy b/lib/WorkflowTaxprofiler.groovy
index 7bf44c9..10504bf 100755
--- a/lib/WorkflowTaxprofiler.groovy
+++ b/lib/WorkflowTaxprofiler.groovy
@@ -12,11 +12,6 @@ class WorkflowTaxprofiler {
     public static void initialise(params, log) {
         genomeExistsError(params, log)
 
-        // TODO update as necessary
-        //if (!params.fasta) {
-        //    log.error "Genome fasta file not specified with e.g. '--fasta genome.fa' or via a detectable config file."
-        //    System.exit(1)
-        //}
     }
 
     //

From 5c8e2b492cb606d009c79a564b41bfb385f3cd5b Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 7 Mar 2023 11:41:57 +0100
Subject: [PATCH 717/789] Syncronise local modules with other generic container
 modules

---
 modules/local/kraken2_standard_report.nf | 6 +++---
 modules/local/krona_cleanup.nf           | 4 ++--
 2 files changed, 5 insertions(+), 5 deletions(-)

diff --git a/modules/local/kraken2_standard_report.nf b/modules/local/kraken2_standard_report.nf
index 4169c3a..fcd2c32 100644
--- a/modules/local/kraken2_standard_report.nf
+++ b/modules/local/kraken2_standard_report.nf
@@ -2,10 +2,10 @@ process KRAKEN2_STANDARD_REPORT {
     tag "$meta.id"
     label 'process_single'
 
-    conda "conda-forge::sed=4.8"
+    conda "conda-forge::sed=4.7"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://containers.biocontainers.pro/s3/SingImgsRepo/biocontainers/v1.2.0_cv2/biocontainers_v1.2.0_cv2.img' :
-        'biocontainers/biocontainers:v1.2.0_cv2' }"
+        'https://depot.galaxyproject.org/singularity/ubuntu:20.04' :
+        'ubuntu:20.04' }"
 
     input:
     tuple val(meta), path(report)
diff --git a/modules/local/krona_cleanup.nf b/modules/local/krona_cleanup.nf
index f13dcc8..082c22b 100644
--- a/modules/local/krona_cleanup.nf
+++ b/modules/local/krona_cleanup.nf
@@ -4,8 +4,8 @@ process KRONA_CLEANUP {
 
     conda "conda-forge::sed=4.7"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://containers.biocontainers.pro/s3/SingImgsRepo/biocontainers/v1.2.0_cv1/biocontainers_v1.2.0_cv1.img' :
-        'biocontainers/biocontainers:v1.2.0_cv1' }"
+        'https://depot.galaxyproject.org/singularity/ubuntu:20.04' :
+        'ubuntu:20.04' }"
 
     input:
     tuple val(meta), path(krona, stageAs: 'uncleaned.krona.txt')

From 98bc6910d51b161696de404e1b3667dec6e8c3d8 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 7 Mar 2023 11:47:54 +0100
Subject: [PATCH 718/789] Update authors and remove left over comment

---
 nextflow.config                | 2 +-
 subworkflows/local/db_check.nf | 4 ++--
 2 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/nextflow.config b/nextflow.config
index e08a1dc..80038ea 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -300,7 +300,7 @@ dag {
 
 manifest {
     name            = 'nf-core/taxprofiler'
-    author          = """nf-core community"""
+    author          = """James A. Fellows Yates, Sofia Stamouli, Moritz E. Beber, Lauri Mesilaakso, Thomas A. Christensen II, Jianhong Ou, Mahwash Jamy, Maxime Borry, Rafal Stepien, Tanja Normark"""
     homePage        = 'https://github.com/nf-core/taxprofiler'
     description     = """Taxonomic classification and profiling of shotgun metagenomic data"""
     mainScript      = 'main.nf'
diff --git a/subworkflows/local/db_check.nf b/subworkflows/local/db_check.nf
index 35240ed..21ed21d 100644
--- a/subworkflows/local/db_check.nf
+++ b/subworkflows/local/db_check.nf
@@ -63,8 +63,8 @@ def validate_db_rows(LinkedHashMap row){
         def expected_headers = ['tool', 'db_name', 'db_params', 'db_path']
         if ( !row.keySet().containsAll(expected_headers) ) exit 1, "[nf-core/taxprofiler] ERROR: Invalid database input sheet - malformed column names. Please check input TSV. Column names should be: ${expected_keys.join(", ")}"
 
-        // valid tools specified// TIFNISIH LIST
-        def expected_tools = [ "bracken", "centrifuge", "diamond", "kaiju",  "kraken2", "krakenuniq", "malt", "metaphlan3", "motus" ]
+        // valid tools specified
+        def expected_tools = [ "bracken", "centrifuge", "diamond", "kaiju", "kraken2", "krakenuniq", "malt", "metaphlan3", "motus" ]
         if ( !expected_tools.contains(row.tool) ) exit 1, "[nf-core/taxprofiler] ERROR: Invalid tool name. Please see documentation for all supported profilers. Error in: ${row}"
 
         // detect quotes in params

From 54e885723340b67bd9f366c047599c5f88034eb3 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Tue, 7 Mar 2023 13:06:32 +0100
Subject: [PATCH 719/789] Reduce number of tests to check just each tool option
 is tested

---
 .github/workflows/ci.yml | 7 -------
 1 file changed, 7 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index ea98e78..0af37b5 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -32,16 +32,9 @@ jobs:
           - "--perform_longread_qc false"
           - "--perform_shortread_qc false"
           - "--shortread_qc_tool fastp"
-          - "--shortread_qc_tool fastp --shortread_qc_mergepairs --shortread_qc_includeunmerged"
-          - "--shortread_qc_tool fastp --shortread_qc_mergepairs"
           - "--shortread_qc_tool adapterremoval"
-          - "--shortread_qc_tool adapterremoval --shortread_qc_mergepairs --shortread_qc_includeunmerged"
-          - "--shortread_qc_tool adapterremoval --shortread_qc_mergepairs"
           - "--shortread_complexityfilter_tool bbduk"
           - "--shortread_complexityfilter_tool prinseqplusplus"
-          - "--perform_runmerging"
-          - "--perform_runmerging --shortread_qc_mergepairs"
-          - "--shortread_complexityfilter false --perform_shortread_hostremoval"
 
     steps:
       - name: Check out pipeline code

From 6dbeb5913a7947b870a953728152f2c16f313715 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Tue, 7 Mar 2023 13:18:58 +0100
Subject: [PATCH 720/789] Remove left over skips

---
 .github/workflows/ci.yml | 2 --
 1 file changed, 2 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 0af37b5..8959844 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -29,8 +29,6 @@ jobs:
           - "latest-everything"
         parameters:
           - "--preprocessing_qc_tool falco"
-          - "--perform_longread_qc false"
-          - "--perform_shortread_qc false"
           - "--shortread_qc_tool fastp"
           - "--shortread_qc_tool adapterremoval"
           - "--shortread_complexityfilter_tool bbduk"

From f3ac1d2a217f1278eb3df60b6ff3a2e95a67520a Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 7 Mar 2023 14:01:09 +0100
Subject: [PATCH 721/789] Update License to match nextflow.conifg [skip ci]

---
 LICENSE | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/LICENSE b/LICENSE
index 67b5fb5..7d74b6c 100644
--- a/LICENSE
+++ b/LICENSE
@@ -1,6 +1,6 @@
 MIT License
 
-Copyright (c) nf-core community
+Copyright (c) James A. Fellows Yates, Sofia Stamouli, Moritz E. Beber, Lauri Mesilaakso, Thomas A. Christensen II, Jianhong Ou, Mahwash Jamy, Maxime Borry, Rafal Stepien, Tanja Normark
 
 Permission is hereby granted, free of charge, to any person obtaining a copy
 of this software and associated documentation files (the "Software"), to deal

From f92a405554d94d71e5e8550d87bab9a1aa657537 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Alex=20H=C3=BCbner?= <alexhbnr@gmail.com>
Date: Fri, 10 Mar 2023 12:36:52 +0100
Subject: [PATCH 722/789] Update README.md

---
 README.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/README.md b/README.md
index 1e43ab8..3d18227 100644
--- a/README.md
+++ b/README.md
@@ -18,7 +18,7 @@ The pipeline is built using [Nextflow](https://www.nextflow.io), a workflow tool
 
 On release, automated continuous integration tests run the pipeline on a full-sized dataset on the AWS cloud infrastructure. This ensures that the pipeline runs on AWS, has sensible resource allocation defaults set to run on real-world datasets, and permits the persistent storage of results to benchmark between pipeline releases and other analysis sources.The results obtained from the full-sized test can be viewed on the [nf-core website](https://nf-co.re/taxprofiler/results).
 
-The nf-core/taxprofiler CI test dataset uses sequencing data from [Maixer et al. (2021) Curr. Bio.](https://doi.org/10.1016/j.cub.2021.09.031). The AWS full test dataset uses sequencing data and reference genomes from [Meslier (2022) _Sci. Data_](https://doi.org/10.1038/s41597-022-01762-z)
+The nf-core/taxprofiler CI test dataset uses sequencing data from [Maixner et al. (2021) Curr. Bio.](https://doi.org/10.1016/j.cub.2021.09.031). The AWS full test dataset uses sequencing data and reference genomes from [Meslier (2022) _Sci. Data_](https://doi.org/10.1038/s41597-022-01762-z)
 
 ## Pipeline summary
 

From c2ad4210515762d846059d1e21f6e0efa534a040 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Tue, 7 Mar 2023 12:30:02 +0100
Subject: [PATCH 723/789] refactor: simplify DB validation

---
 subworkflows/local/db_check.nf | 52 +++++++++++++---------------------
 1 file changed, 19 insertions(+), 33 deletions(-)

diff --git a/subworkflows/local/db_check.nf b/subworkflows/local/db_check.nf
index 21ed21d..ff9c3b2 100644
--- a/subworkflows/local/db_check.nf
+++ b/subworkflows/local/db_check.nf
@@ -28,9 +28,9 @@ workflow DB_CHECK {
     // Normal checks for within-row validity, so can be moved to separate functions
     parsed_samplesheet = Channel.fromPath(dbsheet)
         .splitCsv ( header:true, sep:',' )
-        .map {
-            validate_db_rows(it)
-            create_db_channels(it)
+        .map { row ->
+            validate_db_rows(row)
+            return [ row.subMap(['tool', 'db_name', 'db_params']), file(row.db_path) ]
         }
 
     ch_dbs_for_untar = parsed_samplesheet
@@ -54,41 +54,27 @@ workflow DB_CHECK {
     versions = ch_versions                   // channel: [ versions.yml ]
 }
 
-def validate_db_rows(LinkedHashMap row){
+def validate_db_rows(LinkedHashMap row) {
 
-        // check minimum number of columns
-        if (row.size() < 4) exit 1, "[nf-core/taxprofiler] ERROR: Invalid database input sheet - malformed row (e.g. missing column). See documentation for more information. Error in: ${row}"
+    // check minimum number of columns
+    if (row.size() < 4) exit 1, "[nf-core/taxprofiler] ERROR: Invalid database input sheet - malformed row (e.g. missing column). See documentation for more information. Error in: ${row}"
 
-        // all columns there
-        def expected_headers = ['tool', 'db_name', 'db_params', 'db_path']
-        if ( !row.keySet().containsAll(expected_headers) ) exit 1, "[nf-core/taxprofiler] ERROR: Invalid database input sheet - malformed column names. Please check input TSV. Column names should be: ${expected_keys.join(", ")}"
+    // all columns there
+    def expected_headers = ['tool', 'db_name', 'db_params', 'db_path']
+    if ( !row.keySet().containsAll(expected_headers) ) exit 1, "[nf-core/taxprofiler] ERROR: Invalid database input sheet - malformed column names. Please check input TSV. Column names should be: ${expected_keys.join(", ")}"
 
-        // valid tools specified
-        def expected_tools = [ "bracken", "centrifuge", "diamond", "kaiju", "kraken2", "krakenuniq", "malt", "metaphlan3", "motus" ]
-        if ( !expected_tools.contains(row.tool) ) exit 1, "[nf-core/taxprofiler] ERROR: Invalid tool name. Please see documentation for all supported profilers. Error in: ${row}"
+    // valid tools specified
+    def expected_tools = [ "bracken", "centrifuge", "diamond", "kaiju",  "kraken2", "krakenuniq", "malt", "metaphlan3", "motus" ]
+    if ( !expected_tools.contains(row.tool) ) exit 1, "[nf-core/taxprofiler] ERROR: Invalid tool name. Please see documentation for all supported profilers. Error in: ${row}"
 
-        // detect quotes in params
-        if ( row.db_params.contains('"') ) exit 1, "[nf-core/taxprofiler] ERROR: Invalid database db_params entry. No quotes allowed. Error in: ${row}"
-        if ( row.db_params.contains("'") ) exit 1, "[nf-core/taxprofiler] ERROR: Invalid database db_params entry. No quotes allowed. Error in: ${row}"
+    // detect quotes in params
+    if ( row.db_params.contains('"') ) exit 1, "[nf-core/taxprofiler] ERROR: Invalid database db_params entry. No quotes allowed. Error in: ${row}"
+    if ( row.db_params.contains("'") ) exit 1, "[nf-core/taxprofiler] ERROR: Invalid database db_params entry. No quotes allowed. Error in: ${row}"
 
-        // check if any form of bracken params, that it must have `;`
-        if ( row.tool == 'bracken' && row.db_params && !row.db_params.contains(";") )  exit 1, "[nf-core/taxprofiler] ERROR: Invalid database db_params entry. Bracken requires a semi-colon if passing parameter. Error in: ${row}"
+    // check if any form of bracken params, that it must have `;`
+    if ( row.tool == 'bracken' && row.db_params && !row.db_params.contains(";") )  exit 1, "[nf-core/taxprofiler] ERROR: Invalid database db_params entry. Bracken requires a semi-colon if passing parameter. Error in: ${row}"
 
-}
-
-def create_db_channels(LinkedHashMap row) {
-    def meta = [:]
-    meta.tool             = row.tool
-    meta.db_name          = row.db_name
-    meta.db_params        = row.db_params
-
-    def array = []
-    if (!file(row.db_path, type: 'dir').exists()) {
-        exit 1, "ERROR: Please check input samplesheet -> database path could not be found!\n${row.db_path}"
-    }
-    array = [ meta, file(row.db_path) ]
+    // ensure that the database directory exists
+    if (!file(row.db_path, type: 'dir').exists()) exit 1, "ERROR: Please check input samplesheet -> database path could not be found!\n${row.db_path}"
 
-    return array
 }
-
-

From aa2410a871f04e59ed14bc410f6b83cb2738c411 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Tue, 7 Mar 2023 12:35:47 +0100
Subject: [PATCH 724/789] style: use named parameters for closure

---
 subworkflows/local/db_check.nf | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/subworkflows/local/db_check.nf b/subworkflows/local/db_check.nf
index ff9c3b2..76a9e1e 100644
--- a/subworkflows/local/db_check.nf
+++ b/subworkflows/local/db_check.nf
@@ -34,8 +34,8 @@ workflow DB_CHECK {
         }
 
     ch_dbs_for_untar = parsed_samplesheet
-        .branch {
-            untar: it[1].toString().endsWith(".tar.gz")
+        .branch { db_meta, db ->
+            untar: db.name.endsWith(".tar.gz")
             skip: true
         }
 

From b90433f3c24bb6e59e5d98e8e4681869fd203a31 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Tue, 7 Mar 2023 12:38:50 +0100
Subject: [PATCH 725/789] style: use parameters for filter closure

---
 subworkflows/local/db_check.nf | 4 +---
 1 file changed, 1 insertion(+), 3 deletions(-)

diff --git a/subworkflows/local/db_check.nf b/subworkflows/local/db_check.nf
index 76a9e1e..70e1e02 100644
--- a/subworkflows/local/db_check.nf
+++ b/subworkflows/local/db_check.nf
@@ -41,9 +41,7 @@ workflow DB_CHECK {
 
     // Filter the channel to untar only those databases for tools that are selected to be run by the user.
     ch_input_untar = ch_dbs_for_untar.untar
-                        .filter {
-                          params["run_${it[0]['tool']}"]
-                        }
+        .filter { db_meta, db -> params["run_${db_meta.tool}"] }
 
     UNTAR (ch_input_untar)
     ch_versions = ch_versions.mix(UNTAR.out.versions.first())

From 0bcea6c993233ffbf31738ce27589110f0ac2617 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Tue, 7 Mar 2023 12:40:05 +0100
Subject: [PATCH 726/789] style: use parameter for branch closure

---
 subworkflows/local/input_check.nf | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index 57061f1..e3cd0b4 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -12,9 +12,9 @@ workflow INPUT_CHECK {
     parsed_samplesheet = SAMPLESHEET_CHECK ( samplesheet )
         .csv
         .splitCsv ( header:true, sep:',' )
-        .branch {
-            fasta: it['fasta'] != ''
-            nanopore: it['instrument_platform'] == 'OXFORD_NANOPORE'
+        .branch { row ->
+            fasta: row.fasta != ''
+            nanopore: row.instrument_platform == 'OXFORD_NANOPORE'
             fastq: true
         }
 

From d17dce5590d5b5c7366ebc5aa6f67331268e9a3d Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Tue, 7 Mar 2023 13:25:24 +0100
Subject: [PATCH 727/789] style: use subMap and early returns

---
 subworkflows/local/input_check.nf | 33 +++++++++++--------------------
 1 file changed, 12 insertions(+), 21 deletions(-)

diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index e3cd0b4..37e3575 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -37,49 +37,40 @@ workflow INPUT_CHECK {
 // Function to get list of [ meta, [ fastq_1, fastq_2 ] ]
 def create_fastq_channel(LinkedHashMap row) {
     // create meta map
-    def meta = [:]
-    meta.id                     = row.sample
-    meta.run_accession          = row.run_accession
-    meta.instrument_platform    = row.instrument_platform
-    meta.single_end             = row.single_end.toBoolean()
-    meta.is_fasta               = false
+    def meta = row.subMap(['sample', 'run_accession', 'instrument_platform'])
+    meta.single_end = row.single_end.toBoolean()
+    meta.is_fasta   = false
 
     // add path(s) of the fastq file(s) to the meta map
-    def fastq_meta = []
     if (!file(row.fastq_1).exists()) {
         exit 1, "ERROR: Please check input samplesheet -> Read 1 FastQ file does not exist!\n${row.fastq_1}"
     }
+
     if (meta.single_end) {
-        fastq_meta = [ meta, [ file(row.fastq_1) ] ]
+        return [ meta, [ file(row.fastq_1) ] ]
     } else {
         if (meta.instrument_platform == 'OXFORD_NANOPORE') {
             if (row.fastq_2 != '') {
                 exit 1, "ERROR: Please check input samplesheet -> For Oxford Nanopore reads Read 2 FastQ should be empty!\n${row.fastq_2}"
             }
-            fastq_meta = [ meta, [ file(row.fastq_1) ] ]
+            return [ meta, [ file(row.fastq_1) ] ]
         } else {
             if (!file(row.fastq_2).exists()) {
                 exit 1, "ERROR: Please check input samplesheet -> Read 2 FastQ file does not exist!\n${row.fastq_2}"
             }
-         fastq_meta = [ meta, [ file(row.fastq_1), file(row.fastq_2) ] ]
+            return [ meta, [ file(row.fastq_1), file(row.fastq_2) ] ]
         }
-
     }
-    return fastq_meta
-}// Function to get list of [ meta, fasta ]
+}
+
+// Function to get list of [ meta, fasta ]
 def create_fasta_channel(LinkedHashMap row) {
-    def meta = [:]
-    meta.id                     = row.sample
-    meta.run_accession          = row.run_accession
-    meta.instrument_platform    = row.instrument_platform
+    def meta = row.subMap(['sample', 'run_accession', 'instrument_platform'])
     meta.single_end             = true
     meta.is_fasta               = true
 
-    def array = []
     if (!file(row.fasta).exists()) {
         exit 1, "ERROR: Please check input samplesheet -> FastA file does not exist!\n${row.fasta}"
     }
-    array = [ meta, [ file(row.fasta) ] ]
-
-    return array
+    return [ meta, [ file(row.fasta) ] ]
 }

From 07db3c93e28ab504ecd131a0fa1675bb5d73b729 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Tue, 7 Mar 2023 13:40:21 +0100
Subject: [PATCH 728/789] style: use map addition instead of cloning

---
 subworkflows/local/longread_preprocessing.nf | 20 +++++---------------
 1 file changed, 5 insertions(+), 15 deletions(-)

diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf
index 961417d..f37449b 100644
--- a/subworkflows/local/longread_preprocessing.nf
+++ b/subworkflows/local/longread_preprocessing.nf
@@ -20,33 +20,23 @@ workflow LONGREAD_PREPROCESSING {
         PORECHOP_PORECHOP ( reads )
 
         ch_processed_reads = PORECHOP_PORECHOP.out.reads
-                                        .map {
-                                                meta, reads ->
-                                                def meta_new = meta.clone()
-                                                meta_new['single_end'] = 1
-                                                [ meta_new, reads ]
-                                        }
+            .map { meta, reads -> [ meta + [single_end: 1], reads ] }
 
         ch_versions = ch_versions.mix(PORECHOP_PORECHOP.out.versions.first())
         ch_multiqc_files = ch_multiqc_files.mix( PORECHOP_PORECHOP.out.log )
 
     } else if ( params.longread_qc_skipadaptertrim && !params.longread_qc_skipqualityfilter) {
 
-        ch_processed_reads = FILTLONG ( reads.map{ meta, reads -> [meta, [], reads ]} )
+        ch_processed_reads = FILTLONG ( reads.map { meta, reads -> [meta, [], reads ] } )
         ch_versions = ch_versions.mix(FILTLONG.out.versions.first())
         ch_multiqc_files = ch_multiqc_files.mix( FILTLONG.out.log )
 
     } else {
         PORECHOP_PORECHOP ( reads )
         ch_clipped_reads = PORECHOP_PORECHOP.out.reads
-                                        .map {
-                                                meta, reads ->
-                                                def meta_new = meta.clone()
-                                                meta_new['single_end'] = 1
-                                                [ meta_new, reads ]
-                                        }
-
-        ch_processed_reads = FILTLONG ( ch_clipped_reads.map{ meta, reads -> [meta, [], reads ]} ).reads
+            .map { meta, reads -> [ meta + [single_end: 1], reads ] }
+
+        ch_processed_reads = FILTLONG ( ch_clipped_reads.map { meta, reads -> [meta, [], reads ] } ).reads
 
         ch_versions = ch_versions.mix(PORECHOP_PORECHOP.out.versions.first())
         ch_versions = ch_versions.mix(FILTLONG.out.versions.first())

From 5380bc18ec2d0cec0ff5e1cc7f4d369190903071 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Tue, 7 Mar 2023 13:48:38 +0100
Subject: [PATCH 729/789] fix: channels should match 1:1 without remaining
 elements

---
 subworkflows/local/longread_hostremoval.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/longread_hostremoval.nf b/subworkflows/local/longread_hostremoval.nf
index 63fce58..83660fe 100644
--- a/subworkflows/local/longread_hostremoval.nf
+++ b/subworkflows/local/longread_hostremoval.nf
@@ -46,7 +46,7 @@ workflow LONGREAD_HOSTREMOVAL {
     ch_versions      = ch_versions.mix( SAMTOOLS_INDEX.out.versions.first() )
 
     bam_bai = MINIMAP2_ALIGN.out.bam
-        .join(SAMTOOLS_INDEX.out.bai, remainder: true)
+        .join(SAMTOOLS_INDEX.out.bai)
 
     SAMTOOLS_STATS ( bam_bai, reference )
     ch_versions = ch_versions.mix(SAMTOOLS_STATS.out.versions.first())

From 7c1133efb8bd921b0fed8445985dad0235506076 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Tue, 7 Mar 2023 14:57:53 +0100
Subject: [PATCH 730/789] add more comments and slight style changes

---
 subworkflows/local/longread_hostremoval.nf    |  2 +
 subworkflows/local/profiling.nf               | 53 +++++++++----------
 .../local/standardisation_profiles.nf         |  1 +
 workflows/taxprofiler.nf                      |  1 +
 4 files changed, 30 insertions(+), 27 deletions(-)

diff --git a/subworkflows/local/longread_hostremoval.nf b/subworkflows/local/longread_hostremoval.nf
index 83660fe..f9ad593 100644
--- a/subworkflows/local/longread_hostremoval.nf
+++ b/subworkflows/local/longread_hostremoval.nf
@@ -45,6 +45,8 @@ workflow LONGREAD_HOSTREMOVAL {
     SAMTOOLS_INDEX ( MINIMAP2_ALIGN.out.bam )
     ch_versions      = ch_versions.mix( SAMTOOLS_INDEX.out.versions.first() )
 
+    // FIXME: This join is performed using entire maps as keys.
+    //  Please replace with joining on specific keys instead.
     bam_bai = MINIMAP2_ALIGN.out.bam
         .join(SAMTOOLS_INDEX.out.bai)
 
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 0f9951e..4d89464 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -35,10 +35,7 @@ workflow PROFILING {
     ch_input_for_profiling = reads
             .map {
                 meta, reads ->
-                    def meta_new = meta.clone()
-                        pairtype = meta_new['single_end'] ? '_se' : '_pe'
-                        meta_new['id'] =  meta_new['id'] + pairtype
-                    [meta_new, reads]
+                    [meta + [id: "${meta.id}${meta.single_end ? '_se' : '_pe'}"], reads]
             }
             .combine(databases)
             .branch {
@@ -68,34 +65,35 @@ workflow PROFILING {
         // MALT: We groupTuple to have all samples in one channel for MALT as database
         // loading takes a long time, so we only want to run it once per database
         ch_input_for_malt =  ch_input_for_profiling.malt
-                                .map {
-                                    meta, reads, db_meta, db ->
+            .map {
+                meta, reads, db_meta, db ->
 
-                                        // Reset entire input meta for MALT to just database name,
-                                        // as we don't run run on a per-sample basis due to huge datbaases
-                                        // so all samples are in one run and so sample-specific metadata
-                                        // unnecessary. Set as database name to prevent `null` job ID and prefix.
-                                        def temp_meta = [ id: meta['db_name'] ]
+                    // Reset entire input meta for MALT to just database name,
+                    // as we don't run run on a per-sample basis due to huge datbaases
+                    // so all samples are in one run and so sample-specific metadata
+                    // unnecessary. Set as database name to prevent `null` job ID and prefix.
+                    def temp_meta = [ id: meta['db_name'] ]
 
-                                        // Extend database parameters to specify whether to save alignments or not
-                                        def new_db_meta = db_meta.clone()
-                                        def sam_format = params.malt_save_reads ? ' --alignments ./ -za false' : ""
-                                        new_db_meta['db_params'] = db_meta['db_params'] + sam_format
+                    // Extend database parameters to specify whether to save alignments or not
+                    def new_db_meta = db_meta.clone()
+                    def sam_format = params.malt_save_reads ? ' --alignments ./ -za false' : ""
+                    new_db_meta['db_params'] = db_meta['db_params'] + sam_format
 
-                                        // Combine reduced sample metadata with updated database parameters metadata,
-                                        // make sure id is db_name for publishing purposes.
-                                        def new_meta = temp_meta + new_db_meta
-                                        new_meta['id'] = new_meta['db_name']
+                    // Combine reduced sample metadata with updated database parameters metadata,
+                    // make sure id is db_name for publishing purposes.
+                    def new_meta = temp_meta + new_db_meta
+                    new_meta['id'] = new_meta['db_name']
 
-                                        [ new_meta, reads, db ]
+                    [ new_meta, reads, db ]
 
-                                }
-                                .groupTuple(by: [0,2])
-                                .multiMap {
-                                    it ->
-                                        reads: [ it[0], it[1].flatten() ]
-                                        db: it[2]
-                                }
+            }
+            // FIXME: Groups elements in the channel using the meta map as key. Replace with grouping on specific keys.
+            .groupTuple(by: [0,2])
+            .multiMap {
+                meta, reads, db ->
+                    reads: [ meta, reads.flatten() ]
+                    db: db
+            }
 
         MALT_RUN ( ch_input_for_malt.reads, ch_input_for_malt.db )
 
@@ -323,6 +321,7 @@ workflow PROFILING {
                                         meta, reads, db_meta, db ->
                                             [[id: db_meta.db_name, single_end: meta.single_end], reads, db_meta, db]
                                     }
+                                    // FIXME: Groups elements in the channel using the meta map as key. Replace with grouping on specific keys.
                                     .groupTuple(by: [0,2,3])
                                     .multiMap {
                                         single_meta, reads, db_meta, db ->
diff --git a/subworkflows/local/standardisation_profiles.nf b/subworkflows/local/standardisation_profiles.nf
index 26355b7..560d660 100644
--- a/subworkflows/local/standardisation_profiles.nf
+++ b/subworkflows/local/standardisation_profiles.nf
@@ -30,6 +30,7 @@ workflow STANDARDISATION_PROFILES {
                                         meta_new.tool = meta.tool == 'metaphlan3' ? 'metaphlan' : meta.tool == 'malt' ? 'megan6' : meta.tool
                                         [meta_new, profile]
                             }
+                            // FIXME: Groups elements in the channel using the meta map as key. Replace with grouping on specific keys.
                             .groupTuple ()
                             .map { [ it[0], it[1].flatten() ] }
 
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index e44015f..fff52e4 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -197,6 +197,7 @@ workflow TAXPROFILER {
                     meta_new.remove('run_accession')
                     [ meta_new, reads ]
             }
+            // FIXME: Groups elements in the channel using the meta map as key. Replace with grouping on specific keys.
             .groupTuple()
             .map {
                 meta, reads ->

From 246da8a7b0a23aa2f9ab0ab50fff308ae5ea63cc Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Thu, 9 Mar 2023 15:12:13 +0100
Subject: [PATCH 731/789] chore: remove fixme comments

---
 subworkflows/local/longread_hostremoval.nf     | 2 --
 subworkflows/local/profiling.nf                | 2 --
 subworkflows/local/standardisation_profiles.nf | 1 -
 workflows/taxprofiler.nf                       | 1 -
 4 files changed, 6 deletions(-)

diff --git a/subworkflows/local/longread_hostremoval.nf b/subworkflows/local/longread_hostremoval.nf
index f9ad593..83660fe 100644
--- a/subworkflows/local/longread_hostremoval.nf
+++ b/subworkflows/local/longread_hostremoval.nf
@@ -45,8 +45,6 @@ workflow LONGREAD_HOSTREMOVAL {
     SAMTOOLS_INDEX ( MINIMAP2_ALIGN.out.bam )
     ch_versions      = ch_versions.mix( SAMTOOLS_INDEX.out.versions.first() )
 
-    // FIXME: This join is performed using entire maps as keys.
-    //  Please replace with joining on specific keys instead.
     bam_bai = MINIMAP2_ALIGN.out.bam
         .join(SAMTOOLS_INDEX.out.bai)
 
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 4d89464..e9440b3 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -87,7 +87,6 @@ workflow PROFILING {
                     [ new_meta, reads, db ]
 
             }
-            // FIXME: Groups elements in the channel using the meta map as key. Replace with grouping on specific keys.
             .groupTuple(by: [0,2])
             .multiMap {
                 meta, reads, db ->
@@ -321,7 +320,6 @@ workflow PROFILING {
                                         meta, reads, db_meta, db ->
                                             [[id: db_meta.db_name, single_end: meta.single_end], reads, db_meta, db]
                                     }
-                                    // FIXME: Groups elements in the channel using the meta map as key. Replace with grouping on specific keys.
                                     .groupTuple(by: [0,2,3])
                                     .multiMap {
                                         single_meta, reads, db_meta, db ->
diff --git a/subworkflows/local/standardisation_profiles.nf b/subworkflows/local/standardisation_profiles.nf
index 560d660..26355b7 100644
--- a/subworkflows/local/standardisation_profiles.nf
+++ b/subworkflows/local/standardisation_profiles.nf
@@ -30,7 +30,6 @@ workflow STANDARDISATION_PROFILES {
                                         meta_new.tool = meta.tool == 'metaphlan3' ? 'metaphlan' : meta.tool == 'malt' ? 'megan6' : meta.tool
                                         [meta_new, profile]
                             }
-                            // FIXME: Groups elements in the channel using the meta map as key. Replace with grouping on specific keys.
                             .groupTuple ()
                             .map { [ it[0], it[1].flatten() ] }
 
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index fff52e4..e44015f 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -197,7 +197,6 @@ workflow TAXPROFILER {
                     meta_new.remove('run_accession')
                     [ meta_new, reads ]
             }
-            // FIXME: Groups elements in the channel using the meta map as key. Replace with grouping on specific keys.
             .groupTuple()
             .map {
                 meta, reads ->

From fa1c779536d9dce8f49d3bbeafaaf3c0d5259e66 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Thu, 9 Mar 2023 15:43:58 +0100
Subject: [PATCH 732/789] fix: insert `id` key again

---
 subworkflows/local/input_check.nf | 7 ++++---
 1 file changed, 4 insertions(+), 3 deletions(-)

diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index 37e3575..0db3592 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -65,9 +65,10 @@ def create_fastq_channel(LinkedHashMap row) {
 
 // Function to get list of [ meta, fasta ]
 def create_fasta_channel(LinkedHashMap row) {
-    def meta = row.subMap(['sample', 'run_accession', 'instrument_platform'])
-    meta.single_end             = true
-    meta.is_fasta               = true
+    def meta        = row.subMap(['sample', 'run_accession', 'instrument_platform'])
+    meta.id         = meta.sample
+    meta.single_end = true
+    meta.is_fasta   = true
 
     if (!file(row.fasta).exists()) {
         exit 1, "ERROR: Please check input samplesheet -> FastA file does not exist!\n${row.fasta}"

From 7104b12e3be77b92abc08c6dd1c064d707de1663 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Thu, 9 Mar 2023 15:46:04 +0100
Subject: [PATCH 733/789] Update subworkflows/local/longread_preprocessing.nf

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 subworkflows/local/longread_preprocessing.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/longread_preprocessing.nf b/subworkflows/local/longread_preprocessing.nf
index f37449b..30963ec 100644
--- a/subworkflows/local/longread_preprocessing.nf
+++ b/subworkflows/local/longread_preprocessing.nf
@@ -36,7 +36,7 @@ workflow LONGREAD_PREPROCESSING {
         ch_clipped_reads = PORECHOP_PORECHOP.out.reads
             .map { meta, reads -> [ meta + [single_end: 1], reads ] }
 
-        ch_processed_reads = FILTLONG ( ch_clipped_reads.map { meta, reads -> [meta, [], reads ] } ).reads
+        ch_processed_reads = FILTLONG ( ch_clipped_reads.map { meta, reads -> [ meta, [], reads ] } ).reads
 
         ch_versions = ch_versions.mix(PORECHOP_PORECHOP.out.versions.first())
         ch_versions = ch_versions.mix(FILTLONG.out.versions.first())

From bb7323e25df05b251667f2ae0ecf61f1de0bc4c6 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Sat, 11 Mar 2023 11:34:47 +0100
Subject: [PATCH 734/789] fix: restore setting id on FASTQ meta

---
 subworkflows/local/input_check.nf | 1 +
 1 file changed, 1 insertion(+)

diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index 0db3592..5764b72 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -38,6 +38,7 @@ workflow INPUT_CHECK {
 def create_fastq_channel(LinkedHashMap row) {
     // create meta map
     def meta = row.subMap(['sample', 'run_accession', 'instrument_platform'])
+    meta.id         = meta.sample
     meta.single_end = row.single_end.toBoolean()
     meta.is_fasta   = false
 

From 5e400c8c8962079ac94e8570e5db70d31d752985 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Sat, 11 Mar 2023 20:06:59 +0100
Subject: [PATCH 735/789] Apply suggestions from code review

---
 subworkflows/local/db_check.nf | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/subworkflows/local/db_check.nf b/subworkflows/local/db_check.nf
index 70e1e02..5cafae0 100644
--- a/subworkflows/local/db_check.nf
+++ b/subworkflows/local/db_check.nf
@@ -59,10 +59,10 @@ def validate_db_rows(LinkedHashMap row) {
 
     // all columns there
     def expected_headers = ['tool', 'db_name', 'db_params', 'db_path']
-    if ( !row.keySet().containsAll(expected_headers) ) exit 1, "[nf-core/taxprofiler] ERROR: Invalid database input sheet - malformed column names. Please check input TSV. Column names should be: ${expected_keys.join(", ")}"
+    if ( !row.keySet().containsAll(expected_headers) ) exit 1, "[nf-core/taxprofiler] ERROR: Invalid database input sheet - malformed column names. Please check input TSV. Column names should be: ${expected_headers.join(", ")}"
 
     // valid tools specified
-    def expected_tools = [ "bracken", "centrifuge", "diamond", "kaiju",  "kraken2", "krakenuniq", "malt", "metaphlan3", "motus" ]
+    def expected_tools = [ "bracken", "centrifuge", "diamond", "kaiju", "kraken2", "krakenuniq", "malt", "metaphlan3", "motus" ]
     if ( !expected_tools.contains(row.tool) ) exit 1, "[nf-core/taxprofiler] ERROR: Invalid tool name. Please see documentation for all supported profilers. Error in: ${row}"
 
     // detect quotes in params

From e49668005f997c279490c68cc1b0808d080e01f9 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sun, 12 Mar 2023 08:35:45 +0100
Subject: [PATCH 736/789] Update docs based on feedback and add missing results
 directories

---
 docs/output.md                  | 44 +++++++++++++++++++++++++++------
 docs/usage.md                   |  4 ++-
 nextflow_schema.json            | 36 ++++++++++++++++-----------
 subworkflows/local/profiling.nf |  3 +--
 4 files changed, 61 insertions(+), 26 deletions(-)

diff --git a/docs/output.md b/docs/output.md
index 357194c..bddd755 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -35,14 +35,18 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d
 - [MultiQC](#multiqc) - Aggregate report describing results and QC from the whole pipeline
 - [Pipeline information](#pipeline-information) - Report metrics generated during the workflow execution
 
+![](images/taxprofiler_tube.png)
+
 ### FastQC or Falco
 
 <details markdown="1">
 <summary>Output files</summary>
 
-- `fastqc/`
-  - `*_fastqc.html`: FastQC or Falco report containing quality metrics.
-  - `*_fastqc.zip`: Zip archive containing the FastQC report, tab-delimited data file and plot images (FastQC only).
+- `{fastqc,falco}/`
+  - {raw,preprocessed}
+    - `*html`: FastQC or Falco report containing quality metrics in HTML format.
+    - `*.txt`: FastQC or Falco report containing quality metrics in TXT format.
+    - `*.zip`: Zip archive containing the FastQC report, tab-delimited data file and plot images (FastQC only).
 
 </details>
 
@@ -186,9 +190,12 @@ It is used with nf-core/taxprofiler to allow removal of 'host' (e.g. human) and/
 <summary>Output files</summary>
 
 - `bowtie2/`
-  - `<sample_id>.bam`: BAM file containing reads that aligned against the user-supplied reference genome as well as unmapped reads
-  - `<sample_id>.bowtie2.log`: log file about the mapped reads
-  - `<sample_id>.unmapped.fastq.gz`: the off-target reads from the mapping that is used in downstream steps.
+  - `build/`
+    - `*.bt2`: Bowtie2 indicies of reference genome, only if `--save_hostremoval_index` supplied.
+  - `align/`
+    - `<sample_id>.bam`: BAM file containing reads that aligned against the user-supplied reference genome as well as unmapped reads
+    - `<sample_id>.bowtie2.log`: log file about the mapped reads
+    - `<sample_id>.unmapped.fastq.gz`: the off-target reads from the mapping that is used in downstream steps.
 
 </details>
 
@@ -210,7 +217,10 @@ It is used with nf-core/taxprofiler to allow removal of 'host' (e.g. human) or o
 <summary>Output files</summary>
 
 - `minimap2`
-  - `<sample_id>.bam`: Alignment file in BAM format containing both mapped and unmapped reads.
+  - `build/`
+    - `*.mmi2`: minimap2 indicies of reference genome, only if `--save_hostremoval_index` supplied.
+  - `align/`
+    - `<sample_id>.bam`: Alignment file in BAM format containing both mapped and unmapped reads.
 
 </details>
 
@@ -243,13 +253,31 @@ This directory will be present and contain the unmapped reads from the `.fastq`
 <details markdown="1">
 <summary>Output files</summary>
 
-- `samtoolsstats`
+- `samtools/stats`
   - `<sample_id>.stats`: File containing samtools stats output.
 
 </details>
 
 In most cases you do not need to check this file, as it is rendered in the MultiQC run report.
 
+### Run Merging
+
+nf-core/taxprofiler offers the option to merge FASTQ files of multiple sequencing runs or libraries that derive from the same sample, as specified in the input samplesheet.
+
+This is the last preprocessing step, so if you have multiple runs or libraries (and run merging turned on), this will represent the final reads that will go into classification/profiling steps.
+
+<details markdown="1">
+<summary>Output files</summary>
+
+- `run_merging/`
+  - `*.fastq.gz`: Concatenated FASTQ files on a per-sample basis
+
+</details>
+
+Note that you will only find samples that went through the run merging step in this directory. For samples that had a single run or library will not go through this step of the pipeline and thus will not be present in this directory.
+
+⚠️ You must make sure to turn on the saving of the reads from the previous preprocessing step you may have turned on, if you have single-run or library reads in your pipeline run, and wish to save the final reads that go into classification/profiling!
+
 ### Bracken
 
 [Bracken](https://ccb.jhu.edu/software/bracken/) (Bayesian Reestimation of Abundance with Kraken) is a highly accurate statistical method that computes the abundance of species in DNA sequences from a metagenomics sample. Braken uses the taxonomy labels assigned by Kraken, a highly accurate metagenomics classification algorithm, to estimate the number of reads originating from each species present in a sample.
diff --git a/docs/usage.md b/docs/usage.md
index 10c5ce6..a38931e 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -89,7 +89,9 @@ The pipeline takes the paths and specific classification/profiling parameters of
 
 > ⚠️ To allow user freedom, nf-core/taxprofiler does not check for mandatory or the validity of non-file database parameters for correct execution of the tool - excluding options offered via pipeline level parameters! Please validate your database parameters (cross-referencing [parameters](https://nf-co.re/taxprofiler/parameters, and the given tool documentation) before submitting the database sheet! For example, if you don't use the default read length - Bracken will require `-r <read_length>` in the `db_params` column.
 
-An example database sheet can look as follows, where 5 tools are being used, and `malt` and `kraken2` will be used against two databases each. This is because specifying `bracken` implies first running `kraken2` on the same database.
+An example database sheet can look as follows, where 7 tools are being used, and `malt` and `kraken2` will be used against two databases each.
+
+`kraken2` will be run twice even though only having a single 'dedicated' database because specifying `bracken` implies first running `kraken2` on the `bracken` database, as required by `bracken`.
 
 ```console
 tool,db_name,db_params,db_path
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 2a72303..417549e 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -67,7 +67,7 @@
                 "save_preprocessed_reads": {
                     "type": "boolean",
                     "fa_icon": "fas fa-save",
-                    "description": "Save reads from adapter clipping/pair-merging, length filtering for both short and long reads",
+                    "description": "Save reads from samples that went through the adapter clipping, pair-merging, and length filtering steps for both short and long reads",
                     "help_text": "This saves the FASTQ output from the following tools:\n\n- fastp\n- AdapterRemoval\n- Porechop\n- Filtlong\n\nThese reads will be a mixture of: adapter clipped, quality trimmed, pair-merged, and length filtered, depending on the parameters you set."
                 }
             },
@@ -116,7 +116,8 @@
                     "type": "string",
                     "default": "None",
                     "description": "Specify a list of all possible adapters to trim. Overrides --shortread_qc_adapter1/2. Formats: .txt (AdapterRemoval) or .fasta. (fastp).",
-                    "help_text": "Allows to supply a file with a list of adapter (combinations) to remove from all files. \n\nOverrides the --shortread_qc_adapter1/--shortread_qc_adapter2 parameters . \n\nFor AdapterRemoval this consists of a two column table with a `.txt` extension: first column represents forward strand, second column for reverse strand. You must supply all possible combinations, one per line, and this list is applied to all files. See AdapterRemoval documentation for more information.\n\nFor fastp this consists of a standard FASTA format with a `.fasta`/`.fa`/`.fna`/`.fas` extension. The adapter sequence in this file should be at least 6bp long, otherwise it will be skipped. fastp trims the adapters present in the FASTA file one by one.\n\n> Modifies AdapterRemoval parameter: --adapter-list\n> Modifies fastp parameter: --adapter_fasta"
+                    "help_text": "Allows to supply a file with a list of adapter (combinations) to remove from all files. \n\nOverrides the --shortread_qc_adapter1/--shortread_qc_adapter2 parameters . \n\nFor AdapterRemoval this consists of a two column table with a `.txt` extension: first column represents forward strand, second column for reverse strand. You must supply all possible combinations, one per line, and this list is applied to all files. See AdapterRemoval documentation for more information.\n\nFor fastp this consists of a standard FASTA format with a `.fasta`/`.fa`/`.fna`/`.fas` extension. The adapter sequence in this file should be at least 6bp long, otherwise it will be skipped. fastp trims the adapters present in the FASTA file one by one.\n\n> Modifies AdapterRemoval parameter: --adapter-list\n> Modifies fastp parameter: --adapter_fasta",
+                    "fa_icon": "fas fa-th-list"
                 },
                 "shortread_qc_mergepairs": {
                     "type": "boolean",
@@ -194,7 +195,7 @@
                 "save_complexityfiltered_reads": {
                     "type": "boolean",
                     "fa_icon": "fas fa-save",
-                    "description": "Save complexity filtered short-reads",
+                    "description": "Save reads from samples that went through the complexity filtering step",
                     "help_text": "Specify whether to save the final complexity filtered reads in your results directory (`--outdir`)."
                 }
             },
@@ -302,7 +303,7 @@
                 "save_hostremoval_unmapped": {
                     "type": "boolean",
                     "fa_icon": "fas fa-save",
-                    "description": "Save unmapped reads in FASTQ format from host removal",
+                    "description": "Save reads from samples that went through the host-removal step",
                     "help_text": "Save only the reads NOT mapped to the reference genome in FASTQ format (as exported from `samtools view` and `bam2fq`).\n\nThis can be useful if you wish to perform other analyses on the off-target reads from the host mapping, such as manual profiling or _de novo_ assembly."
                 }
             },
@@ -323,8 +324,8 @@
                 "save_runmerged_reads": {
                     "type": "boolean",
                     "fa_icon": "fas fa-save",
-                    "description": "Save run-concatenated input FASTQ files for each sample",
-                    "help_text": "Save the run- and library-concatenated reads of a given sample in FASTQ format."
+                    "description": "Save reads from samples that went through the run-merging step",
+                    "help_text": "Save the run- and library-concatenated reads of a given sample in FASTQ format.\n\n> \u26a0\ufe0f Only samples that went through the run-merging step of the pipeline will be stored in the resulting directory. \n\nIf you wish to save the files that go to the classification/profiling steps for samples that _did not_ go through run merging, you must supply the appropriate upstream `--save_<preprocessing_step>` flag.\n\n"
                 }
             },
             "fa_icon": "fas fa-clipboard-check"
@@ -427,7 +428,7 @@
                 },
                 "run_bracken": {
                     "type": "boolean",
-                    "description": "Post-process kraken2 reports with Bracken.",
+                    "description": "Turn on Bracken (and the required Kraken2 prerequisite step).",
                     "fa_icon": "fas fa-toggle-on"
                 },
                 "run_malt": {
@@ -513,34 +514,39 @@
                 "standardisation_taxpasta_format": {
                     "type": "string",
                     "default": "tsv",
-                    "fa_icon": "fas fa-file",
+                    "fa_icon": "fas fa-pastafarianism",
                     "description": "The desired output format.",
                     "enum": ["tsv", "csv", "arrow", "parquet", "biom"]
                 },
                 "taxpasta_taxonomy_dir": {
                     "type": "string",
                     "description": "The path to a directory containing taxdump files.",
-                    "help_text": "This arguments provides the path to the directory containing taxdump files. At least nodes.dmp and names.dmp are required. A merged.dmp file is optional. \n\nModifies tool parameter(s):\n-taxpasta: `--taxpasta_taxonomy_dir`"
+                    "help_text": "This arguments provides the path to the directory containing taxdump files. At least nodes.dmp and names.dmp are required. A merged.dmp file is optional. \n\nModifies tool parameter(s):\n-taxpasta: `--taxpasta_taxonomy_dir`",
+                    "fa_icon": "fas fa-tree"
                 },
                 "taxpasta_add_name": {
                     "type": "boolean",
                     "description": "Add the taxon name to the output.",
-                    "help_text": "The standard output format of taxpasta is a two-column table including the read counts and the integer taxonomic ID. The taxon name can be added as additional information to the output table.\n\nModifies tool parameter(s):\n- taxpasta: `--taxpasta_add_name`"
+                    "help_text": "The standard output format of taxpasta is a two-column table including the read counts and the integer taxonomic ID. The taxon name can be added as additional information to the output table.\n\nModifies tool parameter(s):\n- taxpasta: `--taxpasta_add_name`",
+                    "fa_icon": "fas fa-tag"
                 },
                 "taxpasta_add_rank": {
                     "type": "boolean",
                     "description": "Add the taxon rank to the output.",
-                    "help_text": "The standard output format of taxpasta is a two-column table including the read counts and the integer taxonomic ID. The taxon rank can be added as additional information to the output table.\n\nModifies tool parameter(s):\n- taxpasta: `--taxpasta_add_rank`"
+                    "help_text": "The standard output format of taxpasta is a two-column table including the read counts and the integer taxonomic ID. The taxon rank can be added as additional information to the output table.\n\nModifies tool parameter(s):\n- taxpasta: `--taxpasta_add_rank`",
+                    "fa_icon": "fas fa-sort-amount-down-alt"
                 },
                 "taxpasta_add_lineage": {
                     "type": "boolean",
-                    "description": "Add the taxon's entire lineage to the output.",
-                    "help_text": "\nThe standard output format of taxpasta is a two-column table including the read counts and the integer taxonomic ID. The taxon's entire lineage with the taxon names separated by semi-colons can be added as additional information to the output table.\n\nModifies tool parameter(s):\n- taxpasta: `--taxpasta_add_lineage`\n"
+                    "description": "Add the taxon's entire name lineage to the output.",
+                    "help_text": "\nThe standard output format of taxpasta is a two-column table including the read counts and the integer taxonomic ID. The taxon's entire lineage with the taxon names separated by semi-colons can be added as additional information to the output table.\n\nModifies tool parameter(s):\n- taxpasta: `--taxpasta_add_lineage`\n",
+                    "fa_icon": "fas fa-link"
                 },
                 "taxpasta_add_idlineage": {
                     "type": "boolean",
-                    "description": "Add the taxon's entire lineage to the output.",
-                    "help_text": "\nThe standard output format of taxpasta is a two-column table including the read counts and the integer taxonomic ID. The taxon's entire lineage with the taxon identifiers separated by semi-colons can be added as additional information to the output table.\n\nModifies tool parameter(s):\n- taxpasta: `--taxpasta_add_idlineage`\n"
+                    "description": "Add the taxon's entire ID lineage to the output.",
+                    "help_text": "\nThe standard output format of taxpasta is a two-column table including the read counts and the integer taxonomic ID. The taxon's entire lineage with the taxon identifiers separated by semi-colons can be added as additional information to the output table.\n\nModifies tool parameter(s):\n- taxpasta: `--taxpasta_add_idlineage`\n",
+                    "fa_icon": "fas fa-link"
                 }
             },
             "fa_icon": "fas fa-chart-line"
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index e9440b3..d328a9c 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -117,12 +117,11 @@ workflow PROFILING {
 
     }
 
-    if ( params.run_kraken2 ) {
+    if ( params.run_kraken2 || params.run_bracken ) {
         // Have to pick first element of db_params if using bracken,
         // as db sheet for bracken must have ; sep list to
         // distinguish between kraken and bracken parameters
         ch_input_for_kraken2 = ch_input_for_profiling.kraken2
-                                .dump(tag: "ch_input_for_kraken2_b4")
                                 .map {
                                     meta, reads, db_meta, db ->
                                         def db_meta_new = db_meta.clone()

From 95f9bf1fa9bb3ca021e4d9ef1dee6e8174f3451c Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sun, 12 Mar 2023 08:43:56 +0100
Subject: [PATCH 737/789] Update credits section

---
 README.md | 11 ++++++++---
 1 file changed, 8 insertions(+), 3 deletions(-)

diff --git a/README.md b/README.md
index 3d18227..676a3da 100644
--- a/README.md
+++ b/README.md
@@ -77,11 +77,16 @@ The nf-core/taxprofiler pipeline comes with documentation about the pipeline [us
 
 ## Credits
 
-nf-core/taxprofiler was originally written by nf-core community.
+nf-core/taxprofiler was originally written by [James A. Fellows Yates](https://github.com/jfy133), [Moritz Beber](https://github.com/Midnighter), and [Sofia Stamouli](https://github.com/sofsam).
 
-We thank the following people for their extensive assistance in the development of this pipeline:
+We thank the following people for their contributions to the development of this pipeline:
 
-[James A. Fellows Yates](https://github.com/jfy133), [Moritz Beber](https://github.com/Midnighter), [Lauri Mesilaakso](https://github.com/ljmesi), [Sofia Stamouli](https://github.com/sofsam), [Maxime Borry](https://github.com/maxibor),[Thomas A. Christensen II](https://github.com/MillironX), [Jianhong Ou](https://github.com/jianhong), [Rafal Stepien](https://github.com/rafalstepien), [Mahwash Jamy](https://github.com/mjamy).
+[Lauri Mesilaakso](https://github.com/ljmesi), [Tanja Normark](https://github.com/talnor), [Maxime Borry](https://github.com/maxibor),[Thomas A. Christensen II](https://github.com/MillironX), [Jianhong Ou](https://github.com/jianhong), [Rafal Stepien](https://github.com/rafalstepien), [Mahwash Jamy](https://github.com/mjamy), and the [nf-core/community](https://nf-co.re/community).
+
+We also are grateful for the feedback and comments from:
+
+- [Alex Hübner](https://github.com/alexhbnr)
+- Lili Andersson-Li
 
 ## Contributions and Support
 

From 6266ee782dc8240933554238aa2e38ab90e5d7e1 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Sun, 12 Mar 2023 11:08:31 +0100
Subject: [PATCH 738/789] Update README.md

Co-authored-by: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
---
 README.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/README.md b/README.md
index 676a3da..a6dc165 100644
--- a/README.md
+++ b/README.md
@@ -86,7 +86,7 @@ We thank the following people for their contributions to the development of this
 We also are grateful for the feedback and comments from:
 
 - [Alex Hübner](https://github.com/alexhbnr)
-- Lili Andersson-Li
+- [LilyAnderssonLee](https://github.com/LilyAnderssonLee)
 
 ## Contributions and Support
 

From 7f6e162e1cac133104203636f2005f99f8e18b87 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Sun, 12 Mar 2023 11:08:37 +0100
Subject: [PATCH 739/789] Update docs/output.md

Co-authored-by: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
---
 docs/output.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/output.md b/docs/output.md
index bddd755..4ef6770 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -218,7 +218,7 @@ It is used with nf-core/taxprofiler to allow removal of 'host' (e.g. human) or o
 
 - `minimap2`
   - `build/`
-    - `*.mmi2`: minimap2 indicies of reference genome, only if `--save_hostremoval_index` supplied.
+    - `*.mmi2`: minimap2 indices of reference genome, only if `--save_hostremoval_index` supplied.
   - `align/`
     - `<sample_id>.bam`: Alignment file in BAM format containing both mapped and unmapped reads.
 

From 9550c76c2554b6b2a24c681631ee769deb07fe21 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Sun, 12 Mar 2023 11:11:05 +0100
Subject: [PATCH 740/789] Update README.md

---
 README.md | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/README.md b/README.md
index a6dc165..ba08835 100644
--- a/README.md
+++ b/README.md
@@ -88,6 +88,8 @@ We also are grateful for the feedback and comments from:
 - [Alex Hübner](https://github.com/alexhbnr)
 - [LilyAnderssonLee](https://github.com/LilyAnderssonLee)
 
+Credit and thanks also goes to [Zandra Fagernäs](https://github.com/ZandraFagernas) for the logo.
+
 ## Contributions and Support
 
 If you would like to contribute to this pipeline, please see the [contributing guidelines](.github/CONTRIBUTING.md).

From 213f4e4f23747bf2a4efd15e50259147b1b9d335 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Mon, 13 Mar 2023 08:58:59 +0100
Subject: [PATCH 741/789] Updata taxpasta

---
 modules.json                            | 172 ++++++++++++++++++------
 modules/nf-core/taxpasta/merge/main.nf  |   6 +-
 modules/nf-core/taxpasta/merge/meta.yml |   2 +-
 3 files changed, 132 insertions(+), 48 deletions(-)

diff --git a/modules.json b/modules.json
index d1899a4..c42e1a9 100644
--- a/modules.json
+++ b/modules.json
@@ -8,217 +8,301 @@
                     "adapterremoval": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "bbmap/bbduk": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "bowtie2/align": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "bowtie2/build": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "bracken/bracken": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "bracken/combinebrackenoutputs": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "cat/fastq": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "centrifuge/centrifuge": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "centrifuge/kreport": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "custom/dumpsoftwareversions": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "diamond/blastx": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "falco": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"],
+                        "installed_by": [
+                            "modules"
+                        ],
                         "patch": "modules/nf-core/falco/falco.diff"
                     },
                     "fastp": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "fastqc": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "filtlong": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "gunzip": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "kaiju/kaiju": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "kaiju/kaiju2krona": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "kaiju/kaiju2table": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "kraken2/kraken2": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "krakentools/combinekreports": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "krakentools/kreport2krona": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "krakenuniq/preloadedkrakenuniq": {
                         "branch": "master",
                         "git_sha": "a6eb17f65b3ee5761c25c075a6166c9f76733cee",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "krona/ktimporttaxonomy": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "krona/ktimporttext": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "malt/run": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "megan/rma2info": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "metaphlan3/mergemetaphlantables": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "metaphlan3/metaphlan3": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "minimap2/align": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "minimap2/index": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "motus/merge": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "motus/profile": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "multiqc": {
                         "branch": "master",
                         "git_sha": "ee80d14721e76e2e079103b8dcd5d57129e584ba",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "porechop/porechop": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"],
+                        "installed_by": [
+                            "modules"
+                        ],
                         "patch": "modules/nf-core/porechop/porechop/porechop-porechop.diff"
                     },
                     "prinseqplusplus": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "samtools/bam2fq": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "samtools/index": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "samtools/stats": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "samtools/view": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "taxpasta/merge": {
                         "branch": "master",
-                        "git_sha": "fe58454add6225d2b7468e6d72a3a1f6a3149638",
-                        "installed_by": ["modules"]
+                        "git_sha": "ffa9641ee18f88aff974257cb50ba3cf8f7d143c",
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "untar": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     }
                 }
             }
         }
     }
-}
+}
\ No newline at end of file
diff --git a/modules/nf-core/taxpasta/merge/main.nf b/modules/nf-core/taxpasta/merge/main.nf
index 46aea29..5882425 100644
--- a/modules/nf-core/taxpasta/merge/main.nf
+++ b/modules/nf-core/taxpasta/merge/main.nf
@@ -2,10 +2,10 @@ process TAXPASTA_MERGE {
     tag "$meta.id"
     label 'process_single'
 
-    conda "bioconda::taxpasta=0.2.0"
+    conda "bioconda::taxpasta=0.2.3"
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/taxpasta:0.2.0--pyhdfd78af_0':
-        'quay.io/biocontainers/taxpasta:0.2.0--pyhdfd78af_0' }"
+        'https://depot.galaxyproject.org/singularity/taxpasta:0.2.3--pyhdfd78af_0':
+        'quay.io/biocontainers/taxpasta:0.2.3--pyhdfd78af_0' }"
 
 
     input:
diff --git a/modules/nf-core/taxpasta/merge/meta.yml b/modules/nf-core/taxpasta/merge/meta.yml
index 79d301f..ed89e62 100644
--- a/modules/nf-core/taxpasta/merge/meta.yml
+++ b/modules/nf-core/taxpasta/merge/meta.yml
@@ -14,7 +14,7 @@ tools:
       homepage: "https://taxpasta.readthedocs.io/"
       documentation: "https://taxpasta.readthedocs.io/"
       tool_dev_url: "https://github.com/taxprofiler/taxpasta"
-      doi: ""
+
       licence: "['Apache-2.0']"
 
 input:

From 8ecb655952882a0158801b4253df8fb51409f7c0 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Mon, 13 Mar 2023 09:11:53 +0100
Subject: [PATCH 742/789] Prettier

---
 modules.json | 170 +++++++++++++--------------------------------------
 1 file changed, 43 insertions(+), 127 deletions(-)

diff --git a/modules.json b/modules.json
index c42e1a9..1a5cd64 100644
--- a/modules.json
+++ b/modules.json
@@ -8,301 +8,217 @@
                     "adapterremoval": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "bbmap/bbduk": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "bowtie2/align": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "bowtie2/build": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "bracken/bracken": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "bracken/combinebrackenoutputs": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "cat/fastq": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "centrifuge/centrifuge": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "centrifuge/kreport": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "custom/dumpsoftwareversions": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "diamond/blastx": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "falco": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ],
+                        "installed_by": ["modules"],
                         "patch": "modules/nf-core/falco/falco.diff"
                     },
                     "fastp": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "fastqc": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "filtlong": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "gunzip": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "kaiju/kaiju": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "kaiju/kaiju2krona": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "kaiju/kaiju2table": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "kraken2/kraken2": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "krakentools/combinekreports": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "krakentools/kreport2krona": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "krakenuniq/preloadedkrakenuniq": {
                         "branch": "master",
                         "git_sha": "a6eb17f65b3ee5761c25c075a6166c9f76733cee",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "krona/ktimporttaxonomy": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "krona/ktimporttext": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "malt/run": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "megan/rma2info": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "metaphlan3/mergemetaphlantables": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "metaphlan3/metaphlan3": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "minimap2/align": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "minimap2/index": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "motus/merge": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "motus/profile": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "multiqc": {
                         "branch": "master",
                         "git_sha": "ee80d14721e76e2e079103b8dcd5d57129e584ba",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "porechop/porechop": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ],
+                        "installed_by": ["modules"],
                         "patch": "modules/nf-core/porechop/porechop/porechop-porechop.diff"
                     },
                     "prinseqplusplus": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "samtools/bam2fq": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "samtools/index": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "samtools/stats": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "samtools/view": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "taxpasta/merge": {
                         "branch": "master",
                         "git_sha": "ffa9641ee18f88aff974257cb50ba3cf8f7d143c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "untar": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     }
                 }
             }
         }
     }
-}
\ No newline at end of file
+}

From eaef6ac9bcfef0ae173919e45178415b9d3526fa Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Mon, 13 Mar 2023 10:57:36 +0100
Subject: [PATCH 743/789] Apply suggestions from code review

---
 CHANGELOG.md         | 2 +-
 nextflow_schema.json | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/CHANGELOG.md b/CHANGELOG.md
index 92b9541..c055527 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -3,7 +3,7 @@
 The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/)
 and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html).
 
-## v1.0.0 - Dodgy Dachshund [date]
+## v1.0.0 - Dodgy Dachshund [2023-03-13]
 
 Initial release of nf-core/taxprofiler, created with the [nf-core](https://nf-co.re/) template.
 
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 417549e..c13fdbc 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -16,7 +16,7 @@
                     "type": "string",
                     "format": "file-path",
                     "mimetype": "text/csv",
-                    "pattern": "^\\S+\\.(csv|yaml|yml)$",
+                    "pattern": "^\\S+\\.(csv)$",
                     "schema": "assets/schema_input.json",
                     "description": "Path to comma-separated file containing information about the samples and libraries/runs.",
                     "help_text": "You will need to create a design file with information about the samples and libraries/runs you want to running in your pipeline run. Use this parameter to specify its location. It has to be a comma-separated file with 6 columns, and a header row. See [usage docs](https://nf-co.re/taxprofiler/usage#samplesheet-input).",

From 1347f27c11d7c0815f82cbbba94961fcb0bdf9bb Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Mon, 13 Mar 2023 12:21:37 +0100
Subject: [PATCH 744/789] Update changelog after release

---
 CHANGELOG.md    | 10 ++++++++++
 nextflow.config |  2 +-
 2 files changed, 11 insertions(+), 1 deletion(-)

diff --git a/CHANGELOG.md b/CHANGELOG.md
index c055527..0bfa518 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -3,6 +3,16 @@
 The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/)
 and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html).
 
+## dev
+
+### `Added`
+
+### `Fixed`
+
+### `Dependencies`
+
+### `Deprecated`
+
 ## v1.0.0 - Dodgy Dachshund [2023-03-13]
 
 Initial release of nf-core/taxprofiler, created with the [nf-core](https://nf-co.re/) template.
diff --git a/nextflow.config b/nextflow.config
index 80038ea..05cd7ea 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -305,7 +305,7 @@ manifest {
     description     = """Taxonomic classification and profiling of shotgun metagenomic data"""
     mainScript      = 'main.nf'
     nextflowVersion = '!>=22.10.1'
-    version            = '1.0.0'
+    version = '1.1.0dev'
     doi             = ''
 }
 

From 577d27042353208dbe4c65293b9bfd4f29735f1c Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 17 Mar 2023 10:14:40 +0100
Subject: [PATCH 745/789] Deactivate saving of reads and other large files for
 full tests

---
 conf/test_full.config | 92 +++++++++++++++++++++----------------------
 1 file changed, 46 insertions(+), 46 deletions(-)

diff --git a/conf/test_full.config b/conf/test_full.config
index e8bcb31..e540df7 100644
--- a/conf/test_full.config
+++ b/conf/test_full.config
@@ -19,52 +19,52 @@ params {
     // Genome references
     hostremoval_reference = 'ftp://ftp.ncbi.nlm.nih.gov/genomes/all/GCA/000/819/615/GCA_000819615.1_ViralProj14015/GCA_000819615.1_ViralProj14015_genomic.fna.gz'
 
-    save_preprocessed_reads = true
-
-    perform_shortread_qc = true
-    shortread_qc_mergepairs = true
-    perform_shortread_complexityfilter = true
-    save_complexityfiltered_reads = true
-
-    perform_longread_qc = true
-    perform_shortread_hostremoval = true
-    perform_longread_hostremoval = true
-    save_hostremoval_index = true
-    save_hostremoval_bam = true
-    save_hostremoval_unmapped = true
-
-    perform_runmerging = true
-    save_runmerged_reads = true
-
-    run_centrifuge = true
-    centrifuge_save_reads = true
-
-    run_diamond = true
-
-    run_kaiju = true
-
-    run_kraken2 = true
-    kraken2_save_reads = true
-    kraken2_save_readclassification = true
-    kraken2_save_minimizers  = true
-
-    run_krakenuniq = true
-    krakenuniq_save_reads = true
-    krakenuniq_save_readclassifications = true
-
-    run_bracken = true
-
-    run_malt = true
-    malt_save_reads = true
-    malt_generate_megansummary = true
-
-    run_metaphlan3 = true
-
-    run_motus = true
-    motus_save_mgc_read_counts = true
-
-    run_profile_standardisation = true
-    run_krona = true
+    save_preprocessed_reads             = false
+
+    perform_shortread_qc                = true
+    shortread_qc_mergepairs             = true
+    perform_shortread_complexityfilter  = false
+    save_complexityfiltered_reads       = false
+
+    perform_longread_qc                 = true
+    perform_shortread_hostremoval       = true
+    perform_longread_hostremoval        = true
+    save_hostremoval_index              = false
+    save_hostremoval_bam                = false
+    save_hostremoval_unmapped           = false
+
+    perform_runmerging                  = true
+    save_runmerged_reads                = false
+
+    run_centrifuge                      = true
+    centrifuge_save_reads               = false
+
+    run_diamond                         = true
+
+    run_kaiju                           = true
+
+    run_kraken2                         = true
+    kraken2_save_reads                  = false
+    kraken2_save_readclassification     = false
+    kraken2_save_minimizers             = false
+
+    run_krakenuniq                      = true
+    krakenuniq_save_reads               = false
+    krakenuniq_save_readclassifications = false
+
+    run_bracken                         = true
+        
+    run_malt                            = true
+    malt_save_reads                     = false
+    malt_generate_megansummary          = true
+        
+    run_metaphlan3                      = true
+        
+    run_motus                           = true
+    motus_save_mgc_read_counts          = true
+        
+    run_profile_standardisation         = true
+    run_krona                           = true
 }
 
 cleanup = true

From 142ff2f09943c603fb39e87ce13700d72cbf07aa Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Fri, 17 Mar 2023 10:26:38 +0100
Subject: [PATCH 746/789] Apply suggestions from code review

---
 conf/test_full.config | 7 +++----
 1 file changed, 3 insertions(+), 4 deletions(-)

diff --git a/conf/test_full.config b/conf/test_full.config
index e540df7..e0673e0 100644
--- a/conf/test_full.config
+++ b/conf/test_full.config
@@ -53,16 +53,15 @@ params {
     krakenuniq_save_readclassifications = false
 
     run_bracken                         = true
-        
     run_malt                            = true
     malt_save_reads                     = false
     malt_generate_megansummary          = true
-        
+
     run_metaphlan3                      = true
-        
+
     run_motus                           = true
     motus_save_mgc_read_counts          = true
-        
+
     run_profile_standardisation         = true
     run_krona                           = true
 }

From fbecfb6f3384d0c1c42c1333e2682ac174b37adb Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 17 Mar 2023 20:47:09 +0100
Subject: [PATCH 747/789] Fix broken check for host read removal index

---
 CHANGELOG.md             | 3 +++
 workflows/taxprofiler.nf | 3 ++-
 2 files changed, 5 insertions(+), 1 deletion(-)

diff --git a/CHANGELOG.md b/CHANGELOG.md
index 0bfa518..bd053cc 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -9,6 +9,9 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 
 ### `Fixed`
 
+- [#269](https://github.com/nf-core/taxprofiler/pull/269/files) Reduced output files in AWS full test output due to very large files
+- [#270](https://github.com/nf-core/taxprofiler/pull/270/files) Fixed warning for host removal index parameter, and improved index checks (♥ to @prototaxites for reporting, fix by @jfy133)
+
 ### `Dependencies`
 
 ### `Deprecated`
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index e44015f..25c8d76 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -35,7 +35,8 @@ if (params.shortread_qc_includeunmerged && !params.shortread_qc_mergepairs) exit
 if (params.shortread_complexityfilter_tool == 'fastp' && ( params.perform_shortread_qc == false || params.shortread_qc_tool != 'fastp' ))  exit 1, "ERROR: [nf-core/taxprofiler] cannot use fastp complexity filtering if preprocessing not turned on and/or tool is not fastp. Please specify --perform_shortread_qc and/or --shortread_qc_tool 'fastp'"
 
 if (params.perform_shortread_hostremoval && !params.hostremoval_reference) { exit 1, "ERROR: [nf-core/taxprofiler] --shortread_hostremoval requested but no --hostremoval_reference FASTA supplied. Check input." }
-if (!params.hostremoval_reference && params.hostremoval_reference_index) { exit 1, "ERROR: [nf-core/taxprofiler] --shortread_hostremoval_index provided but no --hostremoval_reference FASTA supplied. Check input." }
+if (params.perform_shortread_hostremoval && !params.hostremoval_reference && params.shortread_hostremoval_index) { exit 1, "ERROR: [nf-core/taxprofiler] --shortread_hostremoval_index provided but no --hostremoval_reference FASTA supplied. Check input." }
+if (params.perform_longread_hostremoval && !params.hostremoval_reference && params.longread_hostremoval_index) { exit 1, "ERROR: [nf-core/taxprofiler] --longread_hostremoval_index provided but no --hostremoval_reference FASTA supplied. Check input." }
 
 if (params.hostremoval_reference           ) { ch_reference = file(params.hostremoval_reference) }
 if (params.shortread_hostremoval_index     ) { ch_shortread_reference_index = Channel.fromPath(params.shortread_hostremoval_index).map{[[], it]} } else { ch_shortread_reference_index = [] }

From b0939c3ae9ba08f462c52021def775fcd49aa22a Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 17 Mar 2023 21:03:54 +0100
Subject: [PATCH 748/789] Standardised taxon table and mOTU database docs
 improvement

---
 CHANGELOG.md         |  2 ++
 docs/usage.md        |  8 ++++++--
 nextflow_schema.json | 11 +++++++----
 3 files changed, 15 insertions(+), 6 deletions(-)

diff --git a/CHANGELOG.md b/CHANGELOG.md
index 0bfa518..4e9c808 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -9,6 +9,8 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 
 ### `Fixed`
 
+- [#271](https://github.com/nf-core/taxprofiler/pull/271/files) Improved standardised table generation documentation nd mOTUs manual database download tutorial (♥ to @prototaxites for reporting, fix by @jfy133)
+
 ### `Dependencies`
 
 ### `Deprecated`
diff --git a/docs/usage.md b/docs/usage.md
index a38931e..ee36dca 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -294,7 +294,9 @@ nf-core/taxprofiler supports generation of Krona interactive pie chart plots for
 
 ##### Multi-Table Generation
 
-In addition to per-sample profiles, the pipeline also supports generation of 'native' multi-sample taxonomic profiles (i.e., those generated by the taxonomic profiling tools themselves or additional utility scripts provided by the tool authors).
+The main multiple-sample table from nf-core/taxprofiler is from a dedicated standalone tool originally developed for the pipeline - [Taxpasta](https://taxpasta.readthedocs.io/en/latest/). When providing `--run_profile_standardisation`, every classifier/profiler and database combination will get a standardised and multi-sample taxon table in the [`taxpasta/`](https://nf-co.re/taxprofiler/output) directory. These tables are structured in the same way, to facilitate comparison between the the results of the classifier/profiler
+
+In addition to per-sample profiles and standardised Taxpasta output, the pipeline also supports generation of 'native' multi-sample taxonomic profiles (i.e., those generated by the taxonomic profiling tools themselves or additional utility scripts provided by the tool authors), when providing `--run_profile_standardisation` to your pipeline.
 
 These are executed on a per-database level. I.e., you will get a multi-sample taxon table for each database you provide for each tool and will be placed in the same directory as the directories containing the per-sample profiles.
 
@@ -307,7 +309,7 @@ The following tools will produce multi-sample taxon tables:
 - **MetaPhlAn3** (via MetaPhlAn's `merge_metaphlan_tables.py` script)
 - **mOTUs** (via the `motus merge` command)
 
-Note that the multi-sample tables from these folders are not inter-operable with each other as they can have different formats.
+Note that the multi-sample tables from the 'native' tools in each folders are [not inter-operable](https://taxpasta.readthedocs.io/en/latest/tutorials/getting-started/) with each other as they can have different formats and can contain additional and different data. In this case we refer you to use the standardised and merged output from Taxpasta, as described above.
 
 ### Updating the pipeline
 
@@ -792,6 +794,8 @@ More information on the MetaPhlAn3 database can be found [here](https://github.c
 
 mOTUs does not provide the ability to construct custom databases. Therefore we recommend to use the the prebuilt database of marker genes provided by the developers.
 
+> ⚠️ **Do not change the directory name of the resulting database if moving to a central location** The database name of `db_mOTU/` is hardcoded in the mOTUs tool
+
 To do this you need to have `mOTUs` installed on your machine.
 
 ```bash
diff --git a/nextflow_schema.json b/nextflow_schema.json
index c13fdbc..1941893 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -467,15 +467,18 @@
                 },
                 "motus_use_relative_abundance": {
                     "type": "boolean",
-                    "description": "Turn on printing relative abundance instead of counts."
+                    "description": "Turn on printing relative abundance instead of counts.",
+                    "fa_icon": "fas fa-percent"
                 },
                 "motus_save_mgc_read_counts": {
                     "type": "boolean",
-                    "description": "Turn on saving the mgc reads count."
+                    "description": "Turn on saving the mgc reads count.",
+                    "fa_icon": "fas fa-save"
                 },
                 "motus_remove_ncbi_ids": {
                     "type": "boolean",
-                    "description": "Turn on removing NCBI taxonomic IDs."
+                    "description": "Turn on removing NCBI taxonomic IDs.",
+                    "fa_icon": "fas fa-address-card"
                 }
             },
             "fa_icon": "fas fa-align-center"
@@ -490,7 +493,7 @@
                     "type": "boolean",
                     "fa_icon": "fas fa-toggle-on",
                     "description": "Turn on standardisation of taxon tables across profilers",
-                    "help_text": "Turns on standardisation of output OTU tables across all tools; each into a TSV format following the following scheme:\n\n|TAXON   | SAMPLE_A | SAMPLE_B |\n|-------------|----------------|-----------------|\n| taxon_a | 32               | 123             |\n| taxon_b | 1                 | 5                 |\n\nThis currently only is generated for mOTUs."
+                    "help_text": "Turns on standardisation of output OTU tables across all tools.\n\nThis happens in two forms, firstly - if available - by a given classifiers/profilers 'native' profile merger and standardisation (for Bracken, Kaiju, Kraken, Centrifuge, MetaPhlAn3, mOTUs), and secondly for _all_ classifier/profilers in the pipeline using [`taxpasta`](https://taxpasta.readthedocs.io).\n\nIn the latter case, taxpasta generates a standardised output as follows:\n\n|TAXON   | SAMPLE_A | SAMPLE_B |\n|-------------|----------------|-----------------|\n| taxon_a | 32               | 123             |\n| taxon_b | 1                 | 5                 |\n\nwhereas all other 'native' tools have varying format outputs. See pipeline [output](https://nf-co.re/taxprofiler) documentation for more information."
                 },
                 "standardisation_motus_generatebiom": {
                     "type": "boolean",

From f9af0040bfdb058d422f1a95df391160f0e1d675 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 17 Mar 2023 22:30:29 +0100
Subject: [PATCH 749/789] Add multi-run meta information

---
 subworkflows/local/input_check.nf | 45 ++++++++++++++++++++++++-------
 1 file changed, 35 insertions(+), 10 deletions(-)

diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index 5764b72..1c967e2 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -9,35 +9,58 @@ workflow INPUT_CHECK {
     samplesheet // file: /path/to/samplesheet.csv
 
     main:
-    parsed_samplesheet = SAMPLESHEET_CHECK ( samplesheet )
+
+    // Table to list, group per sample, detect if sample has multi-run, 
+    // then spread back to per-run rows but with multi-run info added to meta
+    ch_split_samplesheet = SAMPLESHEET_CHECK ( samplesheet )
         .csv
         .splitCsv ( header:true, sep:',' )
+        .map{
+            row ->
+                [ [ row.sample.toString() ], row ]
+            }
+        .groupTuple()
+        .map {
+            sample, rows ->
+                def is_multirun = rows.size() > 1
+            [ is_multirun, rows ]
+        }
+        .transpose(by: 1)
+        .map {
+            is_multirun, row ->
+                row['is_multirun'] = is_multirun
+            return row
+        }
+
+
+    ch_parsed_samplesheet = ch_split_samplesheet
         .branch { row ->
             fasta: row.fasta != ''
             nanopore: row.instrument_platform == 'OXFORD_NANOPORE'
             fastq: true
         }
 
-    fastq = parsed_samplesheet.fastq
+    ch_fastq = ch_parsed_samplesheet.fastq
         .map { create_fastq_channel(it) }
 
-    nanopore = parsed_samplesheet.nanopore
+    ch_nanopore = ch_parsed_samplesheet.nanopore
         .map { create_fastq_channel(it) }
 
-    fasta = parsed_samplesheet.fasta
+    ch_fasta = ch_parsed_samplesheet.fasta
         .map { create_fasta_channel(it) }
+        .dump(tag: "boop")
 
     emit:
-    fastq = fastq ?: []                       // channel: [ val(meta), [ reads ] ]
-    nanopore = nanopore ?: []                 // channel: [ val(meta), [ reads ] ]
-    fasta = fasta ?: []                       // channel: [ val(meta), fasta ]
-    versions = SAMPLESHEET_CHECK.out.versions // channel: [ versions.yml ]
+    fastq    = ch_fastq ?: []                    // channel: [ val(meta), [ reads ] ]
+    nanopore = ch_nanopore ?: []                 // channel: [ val(meta), [ reads ] ]
+    fasta    = ch_fasta ?: []                    // channel: [ val(meta), fasta ]
+    versions = SAMPLESHEET_CHECK.out.versions    // channel: [ versions.yml ]
 }
 
 // Function to get list of [ meta, [ fastq_1, fastq_2 ] ]
 def create_fastq_channel(LinkedHashMap row) {
     // create meta map
-    def meta = row.subMap(['sample', 'run_accession', 'instrument_platform'])
+    def meta = row.subMap(['sample', 'run_accession', 'instrument_platform', 'is_multirun'])
     meta.id         = meta.sample
     meta.single_end = row.single_end.toBoolean()
     meta.is_fasta   = false
@@ -66,7 +89,9 @@ def create_fastq_channel(LinkedHashMap row) {
 
 // Function to get list of [ meta, fasta ]
 def create_fasta_channel(LinkedHashMap row) {
-    def meta        = row.subMap(['sample', 'run_accession', 'instrument_platform'])
+
+    // don't include multi-run information as we don't do FASTA run merging
+    def meta        = row.subMap(['sample', 'run_accession', 'instrument_platform' ])
     meta.id         = meta.sample
     meta.single_end = true
     meta.is_fasta   = true

From 68d131af34e0e1646c525daa9ee81008abb69f25 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 17 Mar 2023 22:30:43 +0100
Subject: [PATCH 750/789] Remove leftover dump

---
 subworkflows/local/input_check.nf | 1 -
 1 file changed, 1 deletion(-)

diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index 1c967e2..c912d14 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -48,7 +48,6 @@ workflow INPUT_CHECK {
 
     ch_fasta = ch_parsed_samplesheet.fasta
         .map { create_fasta_channel(it) }
-        .dump(tag: "boop")
 
     emit:
     fastq    = ch_fastq ?: []                    // channel: [ val(meta), [ reads ] ]

From 74bc6b7dd3baf97837e1602c08d202ae123123b4 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 17 Mar 2023 22:38:05 +0100
Subject: [PATCH 751/789] Logical ordering and improved commenting

---
 subworkflows/local/input_check.nf | 10 ++++++----
 1 file changed, 6 insertions(+), 4 deletions(-)

diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index c912d14..a8862b6 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -23,16 +23,16 @@ workflow INPUT_CHECK {
         .map {
             sample, rows ->
                 def is_multirun = rows.size() > 1
-            [ is_multirun, rows ]
+            [ rows, is_multirun ]
         }
-        .transpose(by: 1)
+        .transpose(by: 0)
         .map {
-            is_multirun, row ->
+            row, is_multirun ->
                 row['is_multirun'] = is_multirun
             return row
         }
 
-
+    // Split for context-dependent channel generation
     ch_parsed_samplesheet = ch_split_samplesheet
         .branch { row ->
             fasta: row.fasta != ''
@@ -40,8 +40,10 @@ workflow INPUT_CHECK {
             fastq: true
         }
 
+    // Channel generation
     ch_fastq = ch_parsed_samplesheet.fastq
         .map { create_fastq_channel(it) }
+        .dump(tag: "boop") 
 
     ch_nanopore = ch_parsed_samplesheet.nanopore
         .map { create_fastq_channel(it) }

From 3b90064ba4d50c7010fdb4eb302686a2006f8bf1 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Wed, 22 Mar 2023 15:39:45 +0100
Subject: [PATCH 752/789] Start adding conditions in modules.conf - non-cat not
 working

---
 conf/modules.config               | 147 +++++++++++++++++++++---------
 nextflow.config                   |   2 +
 subworkflows/local/input_check.nf |   3 +-
 3 files changed, 107 insertions(+), 45 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index ee1a3d2..5662cb4 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -71,6 +71,12 @@ process {
                 path: { "${params.outdir}/fastp" },
                 mode: params.publish_dir_mode,
                 pattern: '*.{log,html,json}'
+            ],
+            [
+                path: { "${params.outdir}/analysis_ready_reads" },
+                mode: params.publish_dir_mode,
+                pattern: '*.fastq.gz',
+                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && !params.shortread_complexityfilter_tool && !params.perform_shortread_qc && params.save_analysis_ready_reads
             ]
         ]
     }
@@ -99,6 +105,12 @@ process {
                 path: { "${params.outdir}/fastp" },
                 mode: params.publish_dir_mode,
                 pattern: '*.{log,html,json}'
+            ],
+            [
+                path: { "${params.outdir}/analysis_ready_reads" },
+                mode: params.publish_dir_mode,
+                pattern: '*.fastq.gz',
+                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && !params.shortread_complexityfilter_tool && !params.perform_shortread_qc && params.save_analysis_ready_reads
             ]
         ]
     }
@@ -122,6 +134,12 @@ process {
                 path: { "${params.outdir}/adapterremoval" },
                 mode: params.publish_dir_mode,
                 pattern: '*.settings'
+            ],
+            [
+                path: { "${params.outdir}/analysis_ready_reads" },
+                mode: params.publish_dir_mode,
+                pattern: '*.fastq.gz',
+                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && !params.shortread_complexityfilter_tool && !params.perform_shortread_qc && params.save_analysis_ready_reads
             ]
         ]
     }
@@ -148,6 +166,12 @@ process {
                 path: { "${params.outdir}/adapterremoval" },
                 mode: params.publish_dir_mode,
                 pattern: '*.settings'
+            ],
+            [
+                path: { "${params.outdir}/analysis_ready_reads" },
+                mode: params.publish_dir_mode,
+                pattern: '*.fastq.gz',
+                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && !params.shortread_complexityfilter_tool && !params.perform_shortread_qc && params.save_analysis_ready_reads
             ]
         ]
     }
@@ -166,6 +190,7 @@ process {
                 mode: params.publish_dir_mode,
                 pattern: '*.log'
             ]
+            // TODO ANALYSIS READY
         ]
     }
 
@@ -190,14 +215,78 @@ process {
                 pattern: '*.log'
             ]
         ]
+        // TODO ANALYSIS READY
+    }
+
+    withName: BBMAP_BBDUK {
+        ext.args =  [
+                "entropy=${params.shortread_complexityfilter_entropy}",
+                "entropywindow=${params.shortread_complexityfilter_bbduk_windowsize}",
+                params.shortread_complexityfilter_bbduk_mask ?  "entropymask=t" : "entropymask=f"
+            ].join(' ').trim()
+        ext.prefix = { "${meta.id}_${meta.run_accession}" }
+        publishDir = [
+            [
+                path: { "${params.outdir}/bbduk/" },
+                mode: params.publish_dir_mode,
+                pattern: '*.{fastq.gz,log}',
+                enabled: params.save_complexityfiltered_reads
+            ],
+            [
+                path: { "${params.outdir}/bbduk/" },
+                mode: params.publish_dir_mode,
+                pattern: '*.log'
+            ],
+            [
+                path: { "${params.outdir}/analysis_ready_reads" },
+                mode: params.publish_dir_mode,
+                pattern: '*.fastq.gz',
+                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && params.shortread_complexityfilter_tool && params.save_analysis_ready_reads
+            ]
+        ]
+    }
+
+    withName: PRINSEQPLUSPLUS {
+        ext.args =  [
+                params.shortread_complexityfilter_prinseqplusplus_mode == 'dust' ? "-lc_dust=${params.shortread_complexityfilter_prinseqplusplus_dustscore}" : "-lc_entropy=${params.shortread_complexityfilter_entropy}",
+                "-trim_qual_left=0 -trim_qual_left=0 -trim_qual_window=0 -trim_qual_step=0",
+            ].join(' ').trim()
+        ext.prefix = { "${meta.id}_${meta.run_accession}" }
+        publishDir = [
+            [
+                path: { "${params.outdir}/prinseqplusplus/" },
+                mode: params.publish_dir_mode,
+                pattern: '*{_good_out.fastq.gz,_good_out_R1.fastq.gz,_good_out_R2.fastq.gz}',
+                enabled: params.save_complexityfiltered_reads
+            ],
+            [
+                path: { "${params.outdir}/prinseqplusplus/" },
+                mode: params.publish_dir_mode,
+                pattern: '*.log'
+            ],
+            [
+                path: { "${params.outdir}/analysis_ready_reads" },
+                mode: params.publish_dir_mode,
+                pattern: '*.fastq.gz',
+                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && params.shortread_complexityfilter_tool && params.save_analysis_ready_reads
+            ]
+        ]
     }
 
     withName: BOWTIE2_BUILD {
         publishDir = [
+            [
             path: { "${params.outdir}/bowtie2/build" },
             mode: params.publish_dir_mode,
             pattern: 'bowtie2',
             enabled: params.save_hostremoval_index
+            ],
+            [
+                path: { "${params.outdir}/analysis_ready_reads" },
+                mode: params.publish_dir_mode,
+                pattern: '*.fastq.gz',
+                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && !params.shortread_complexityfilter_tool && !params.perform_shortread_qc && params.save_analysis_ready_reads
+            ]
         ]
     }
 
@@ -221,6 +310,12 @@ process {
                 mode: params.publish_dir_mode,
                 pattern: '*.fastq.gz',
                 enabled: params.save_hostremoval_unmapped
+            ],
+            [
+                path: { "${params.outdir}/analysis_ready_reads" },
+                mode: params.publish_dir_mode,
+                pattern: '*.fastq.gz',
+                saveAs: { (( !params.perform_runmerging | params.perform_runmerging && !${meta.is_multirun} ) && params.perform_shortread_hostremoval && params.save_analysis_ready_reads ) ? it : null }
             ]
         ]
     }
@@ -243,6 +338,7 @@ process {
             pattern: '*.bam',
             enabled: params.save_hostremoval_bam
         ]
+        // TODO ANALYSIS READY READS
     }
 
     withName: SAMTOOLS_VIEW {
@@ -269,59 +365,24 @@ process {
         ]
     }
 
-    withName: BBMAP_BBDUK {
-        ext.args =  [
-                "entropy=${params.shortread_complexityfilter_entropy}",
-                "entropywindow=${params.shortread_complexityfilter_bbduk_windowsize}",
-                params.shortread_complexityfilter_bbduk_mask ?  "entropymask=t" : "entropymask=f"
-            ].join(' ').trim()
-        ext.prefix = { "${meta.id}_${meta.run_accession}" }
-        publishDir = [
-            [
-                path: { "${params.outdir}/bbduk/" },
-                mode: params.publish_dir_mode,
-                pattern: '*.{fastq.gz,log}',
-                enabled: params.save_complexityfiltered_reads
-            ],
-            [
-                path: { "${params.outdir}/bbduk/" },
-                mode: params.publish_dir_mode,
-                pattern: '*.log'
-            ]
-        ]
-    }
-
-    withName: PRINSEQPLUSPLUS {
-        ext.args =  [
-                params.shortread_complexityfilter_prinseqplusplus_mode == 'dust' ? "-lc_dust=${params.shortread_complexityfilter_prinseqplusplus_dustscore}" : "-lc_entropy=${params.shortread_complexityfilter_entropy}",
-                "-trim_qual_left=0 -trim_qual_left=0 -trim_qual_window=0 -trim_qual_step=0",
-            ].join(' ').trim()
-        ext.prefix = { "${meta.id}_${meta.run_accession}" }
+    withName: CAT_FASTQ {
+        ext.prefix = { "${meta.id}" }
         publishDir = [
             [
-                path: { "${params.outdir}/prinseqplusplus/" },
+                path: { "${params.outdir}/run_merging/" },
                 mode: params.publish_dir_mode,
-                pattern: '*{_good_out.fastq.gz,_good_out_R1.fastq.gz,_good_out_R2.fastq.gz}',
-                enabled: params.save_complexityfiltered_reads
+                pattern: '*.fastq.gz',
+                enabled: params.save_runmerged_reads
             ],
             [
-                path: { "${params.outdir}/prinseqplusplus/" },
+                path: { "${params.outdir}/analysis_ready_reads" },
                 mode: params.publish_dir_mode,
-                pattern: '*.log'
+                pattern: '*.fastq.gz',
+                enabled: params.perform_runmerging && params.save_analysis_ready_reads
             ]
         ]
     }
 
-    withName: CAT_FASTQ {
-        ext.prefix = { "${meta.id}" }
-        publishDir = [
-            path: { "${params.outdir}/run_merging/" },
-            mode: params.publish_dir_mode,
-            pattern: '*.fastq.gz',
-            enabled: params.save_runmerged_reads
-        ]
-    }
-
     withName: MALT_RUN {
         ext.args = { "${meta.db_params} -m ${params.malt_mode}" }
         // one run with multiple samples, so fix ID to just db name to ensure clean log name
diff --git a/nextflow.config b/nextflow.config
index 05cd7ea..0e6850f 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -105,6 +105,8 @@ params {
     save_hostremoval_bam                    = false
     save_hostremoval_unmapped              = false
 
+    // Publishing final reads going into profiling
+    save_analysis_ready_reads = false
 
     // MALT
     run_malt                   = false
diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index a8862b6..f6ac420 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -10,7 +10,7 @@ workflow INPUT_CHECK {
 
     main:
 
-    // Table to list, group per sample, detect if sample has multi-run, 
+    // Table to list, group per sample, detect if sample has multi-run,
     // then spread back to per-run rows but with multi-run info added to meta
     ch_split_samplesheet = SAMPLESHEET_CHECK ( samplesheet )
         .csv
@@ -43,7 +43,6 @@ workflow INPUT_CHECK {
     // Channel generation
     ch_fastq = ch_parsed_samplesheet.fastq
         .map { create_fastq_channel(it) }
-        .dump(tag: "boop") 
 
     ch_nanopore = ch_parsed_samplesheet.nanopore
         .map { create_fastq_channel(it) }

From 102d53bd752bdae0f48bc4151d39ebac1adb3cdd Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Thu, 23 Mar 2023 15:30:07 +0100
Subject: [PATCH 753/789] Subsitute samtools/bam2fq with samtools/fastq

---
 docs/output.md                             |  10 +-
 modules.json                               | 177 ++++++++++++++++-----
 modules/nf-core/samtools/fastq/main.nf     |  44 +++++
 modules/nf-core/samtools/fastq/meta.yml    |  62 ++++++++
 nextflow_schema.json                       |   2 +-
 subworkflows/local/longread_hostremoval.nf |   8 +-
 6 files changed, 250 insertions(+), 53 deletions(-)
 create mode 100644 modules/nf-core/samtools/fastq/main.nf
 create mode 100644 modules/nf-core/samtools/fastq/meta.yml

diff --git a/docs/output.md b/docs/output.md
index 4ef6770..4240b25 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -21,7 +21,7 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d
 - [Bowtie2](#bowtie2) - Host removal for Illumina reads
 - [minimap2](#minimap2) - Host removal for Nanopore reads
 - [SAMtools stats](#samtools-stats) - Statistics from host removal
-- [SAMtools bam2fq](#samtools-bam2fq) - Converts unmapped BAM file to fastq format (minimap2 only)
+- [SAMtools fastq](#samtools-fastq) - Converts unmapped BAM file to fastq format (minimap2 only)
 - [Bracken](#bracken) - Taxonomic classifier using k-mers and abundance estimations
 - [Kraken2](#kraken2) - Taxonomic classifier using exact k-mer matches
 - [KrakenUniq](#krakenuniq) - Taxonomic classifier that combines the k-mer-based classification and the number of unique k-mers found in each species
@@ -201,7 +201,7 @@ It is used with nf-core/taxprofiler to allow removal of 'host' (e.g. human) and/
 
 By default nf-core/taxprofiler will only provide the `.log` file if host removal is turned on. You will only have a `.bam` file if you specify `--save_hostremoval_bam`. This will contain _both_ mapped and unmapped reads. You will only get FASTQ files if you specify to save `--save_hostremoval_unmapped` - these contain only unmapped reads.
 
-> ℹ️ Unmapped reads in FASTQ are only found in this directory for short-reads, for long-reads see [`samtools/bam2fq/`](#samtools-bam2fq)
+> ℹ️ Unmapped reads in FASTQ are only found in this directory for short-reads, for long-reads see [`samtools/fastq/`](#samtools-fastq)
 
 > ⚠️ The resulting `.fastq` files may _not_ always be the 'final' reads that go into taxprofiling, if you also run other steps such as run merging etc..
 
@@ -228,11 +228,11 @@ By default, nf-core/taxprofiler will only provide the `.bam` file containing map
 
 > ℹ️ minimap2 is not yet supported as a module in MultiQC and therefore there is no dedicated section in the MultiQC HTML. Rather, alignment statistics to host genome is reported via samtools stats module in MultiQC report.
 
-> ℹ️ Unlike Bowtie2, minimap2 does not produce an unmapped FASTQ file by itself. See [`samtools/bam2fq`](#samtools-bam2fq)
+> ℹ️ Unlike Bowtie2, minimap2 does not produce an unmapped FASTQ file by itself. See [`samtools/fastq`](#samtools-fastq)
 
-### SAMtools bam2fq
+### SAMtools fastq
 
-[SAMtools bam2fq](http://www.htslib.org/doc/1.1/samtools.html) converts a `.sam`, `.bam`, or `.cram` alignment file to FASTQ format
+[SAMtools fastq](http://www.htslib.org/doc/1.1/samtools.html) converts a `.sam`, `.bam`, or `.cram` alignment file to FASTQ format
 
 <details markdown="1">
 <summary>Output files</summary>
diff --git a/modules.json b/modules.json
index 1a5cd64..b61b140 100644
--- a/modules.json
+++ b/modules.json
@@ -8,217 +8,308 @@
                     "adapterremoval": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "bbmap/bbduk": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "bowtie2/align": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "bowtie2/build": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "bracken/bracken": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "bracken/combinebrackenoutputs": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "cat/fastq": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "centrifuge/centrifuge": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "centrifuge/kreport": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "custom/dumpsoftwareversions": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "diamond/blastx": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "falco": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"],
+                        "installed_by": [
+                            "modules"
+                        ],
                         "patch": "modules/nf-core/falco/falco.diff"
                     },
                     "fastp": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "fastqc": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "filtlong": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "gunzip": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "kaiju/kaiju": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "kaiju/kaiju2krona": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "kaiju/kaiju2table": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "kraken2/kraken2": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "krakentools/combinekreports": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "krakentools/kreport2krona": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "krakenuniq/preloadedkrakenuniq": {
                         "branch": "master",
                         "git_sha": "a6eb17f65b3ee5761c25c075a6166c9f76733cee",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "krona/ktimporttaxonomy": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "krona/ktimporttext": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "malt/run": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "megan/rma2info": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "metaphlan3/mergemetaphlantables": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "metaphlan3/metaphlan3": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "minimap2/align": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "minimap2/index": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "motus/merge": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "motus/profile": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "multiqc": {
                         "branch": "master",
                         "git_sha": "ee80d14721e76e2e079103b8dcd5d57129e584ba",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "porechop/porechop": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"],
+                        "installed_by": [
+                            "modules"
+                        ],
                         "patch": "modules/nf-core/porechop/porechop/porechop-porechop.diff"
                     },
                     "prinseqplusplus": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "samtools/bam2fq": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
+                    },
+                    "samtools/fastq": {
+                        "branch": "master",
+                        "git_sha": "0f8a77ff00e65eaeebc509b8156eaa983192474b",
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "samtools/index": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "samtools/stats": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "samtools/view": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "taxpasta/merge": {
                         "branch": "master",
                         "git_sha": "ffa9641ee18f88aff974257cb50ba3cf8f7d143c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "untar": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     }
                 }
             }
         }
     }
-}
+}
\ No newline at end of file
diff --git a/modules/nf-core/samtools/fastq/main.nf b/modules/nf-core/samtools/fastq/main.nf
new file mode 100644
index 0000000..c0b36f6
--- /dev/null
+++ b/modules/nf-core/samtools/fastq/main.nf
@@ -0,0 +1,44 @@
+process SAMTOOLS_FASTQ {
+    tag "$meta.id"
+    label 'process_low'
+
+    conda "bioconda::samtools=1.16.1"
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/samtools:1.16.1--h6899075_1' :
+        'quay.io/biocontainers/samtools:1.16.1--h6899075_1' }"
+
+    input:
+    tuple val(meta), path(input)
+    val(interleave)
+
+    output:
+    tuple val(meta), path("*_{1,2}.fastq.gz")      , optional:true, emit: fastq
+    tuple val(meta), path("*_interleaved.fastq.gz"), optional:true, emit: interleaved
+    tuple val(meta), path("*_singleton.fastq.gz")  , optional:true, emit: singleton
+    tuple val(meta), path("*_other.fastq.gz")      , optional:true, emit: other
+    path  "versions.yml"                           , emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    def output = ( interleave && ! meta.single_end ) ? "> ${prefix}_interleaved.fastq.gz" :
+        meta.single_end ? "-1 ${prefix}_1.fastq.gz -s ${prefix}_singleton.fastq.gz" :
+        "-1 ${prefix}_1.fastq.gz -2 ${prefix}_2.fastq.gz -s ${prefix}_singleton.fastq.gz"
+    """
+    samtools \\
+        fastq \\
+        $args \\
+        --threads ${task.cpus-1} \\
+        -0 ${prefix}_other.fastq.gz \\
+        $input \\
+        $output
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//')
+    END_VERSIONS
+    """
+}
diff --git a/modules/nf-core/samtools/fastq/meta.yml b/modules/nf-core/samtools/fastq/meta.yml
new file mode 100644
index 0000000..b1a1ed3
--- /dev/null
+++ b/modules/nf-core/samtools/fastq/meta.yml
@@ -0,0 +1,62 @@
+name: samtools_fastq
+description: Converts a SAM/BAM/CRAM file to FASTQ
+keywords:
+  - bam
+  - sam
+  - cram
+  - fastq
+tools:
+  - samtools:
+      description: |
+        SAMtools is a set of utilities for interacting with and post-processing
+        short DNA sequence read alignments in the SAM, BAM and CRAM formats, written by Heng Li.
+        These files are generated as output by short read aligners like BWA.
+      homepage: http://www.htslib.org/
+      documentation: http://www.htslib.org/doc/samtools.html
+      doi: 10.1093/bioinformatics/btp352
+      licence: ["MIT"]
+
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - input:
+      type: file
+      description: BAM/CRAM/SAM file
+      pattern: "*.{bam,cram,sam}"
+  - interleave:
+      type: boolean
+      description: Set true for interleaved fastq file
+
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+  - fastq:
+      type: file
+      description: Compressed FASTQ file(s) with reads with either the READ1 or READ2 flag set in separate files.
+      pattern: "*_{1,2}.fastq.gz"
+  - interleaved:
+      type: file
+      description: Compressed FASTQ file with reads with either the READ1 or READ2 flag set in a combined file. Needs collated input file.
+      pattern: "*_interleaved.fastq.gz"
+  - singleton:
+      type: file
+      description: Compressed FASTQ file with singleton reads
+      pattern: "*_singleton.fastq.gz"
+  - other:
+      type: file
+      description: Compressed FASTQ file with reads with either both READ1 and READ2 flags set or unset
+      pattern: "*_other.fastq.gz"
+
+authors:
+  - "@priyanka-surana"
+  - "@suzannejin"
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 1941893..943d436 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -304,7 +304,7 @@
                     "type": "boolean",
                     "fa_icon": "fas fa-save",
                     "description": "Save reads from samples that went through the host-removal step",
-                    "help_text": "Save only the reads NOT mapped to the reference genome in FASTQ format (as exported from `samtools view` and `bam2fq`).\n\nThis can be useful if you wish to perform other analyses on the off-target reads from the host mapping, such as manual profiling or _de novo_ assembly."
+                    "help_text": "Save only the reads NOT mapped to the reference genome in FASTQ format (as exported from `samtools view` and `fastq`).\n\nThis can be useful if you wish to perform other analyses on the off-target reads from the host mapping, such as manual profiling or _de novo_ assembly."
                 }
             },
             "fa_icon": "fas fa-user-times"
diff --git a/subworkflows/local/longread_hostremoval.nf b/subworkflows/local/longread_hostremoval.nf
index 83660fe..7242bbd 100644
--- a/subworkflows/local/longread_hostremoval.nf
+++ b/subworkflows/local/longread_hostremoval.nf
@@ -5,7 +5,7 @@
 include { MINIMAP2_INDEX             } from '../../modules/nf-core/minimap2/index/main'
 include { MINIMAP2_ALIGN             } from '../../modules/nf-core/minimap2/align/main'
 include { SAMTOOLS_VIEW              } from '../../modules/nf-core/samtools/view/main'
-include { SAMTOOLS_BAM2FQ            } from '../../modules/nf-core/samtools/bam2fq/main'
+include { SAMTOOLS_FASTQ             } from '../../modules/nf-core/samtools/fastq/main'
 include { SAMTOOLS_INDEX             } from '../../modules/nf-core/samtools/index/main'
 include { SAMTOOLS_STATS             } from '../../modules/nf-core/samtools/stats/main'
 
@@ -38,8 +38,8 @@ workflow LONGREAD_HOSTREMOVAL {
     SAMTOOLS_VIEW ( ch_minimap2_mapped , [], [] )
     ch_versions      = ch_versions.mix( SAMTOOLS_VIEW.out.versions.first() )
 
-    SAMTOOLS_BAM2FQ ( SAMTOOLS_VIEW.out.bam, false )
-    ch_versions      = ch_versions.mix( SAMTOOLS_BAM2FQ.out.versions.first() )
+    SAMTOOLS_FASTQ ( SAMTOOLS_VIEW.out.bam, false )
+    ch_versions      = ch_versions.mix( SAMTOOLS_FASTQ.out.versions.first() )
 
     // Indexing whole BAM for host removal statistics
     SAMTOOLS_INDEX ( MINIMAP2_ALIGN.out.bam )
@@ -54,7 +54,7 @@ workflow LONGREAD_HOSTREMOVAL {
 
     emit:
     stats    = SAMTOOLS_STATS.out.stats     //channel: [val(meta), [reads  ] ]
-    reads    = SAMTOOLS_BAM2FQ.out.reads   // channel: [ val(meta), [ reads ] ]
+    reads    = SAMTOOLS_FASTQ.out.fastq   // channel: [ val(meta), [ reads ] ]
     versions = ch_versions                 // channel: [ versions.yml ]
     mqc      = ch_multiqc_files
 }

From 85905127b85df2055fa0b9483068800644086b64 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Thu, 23 Mar 2023 15:34:47 +0100
Subject: [PATCH 754/789] Update changelog

---
 CHANGELOG.md | 1 +
 1 file changed, 1 insertion(+)

diff --git a/CHANGELOG.md b/CHANGELOG.md
index edcdf11..6d289cb 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -12,6 +12,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 - [#271](https://github.com/nf-core/taxprofiler/pull/271/files) Improved standardised table generation documentation nd mOTUs manual database download tutorial (♥ to @prototaxites for reporting, fix by @jfy133)
 - [#269](https://github.com/nf-core/taxprofiler/pull/269/files) Reduced output files in AWS full test output due to very large files
 - [#270](https://github.com/nf-core/taxprofiler/pull/270/files) Fixed warning for host removal index parameter, and improved index checks (♥ to @prototaxites for reporting, fix by @jfy133)
+- [#274](https://github.com/nf-core/taxprofiler/pull/274/files) Substituted the samtools/bam2fq module with samtools/fastq module (fix by @sofstam)
 
 ### `Dependencies`
 

From 6895e457682d27107b33829fe7f2115ee5b10355 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 23 Mar 2023 15:46:02 +0100
Subject: [PATCH 755/789] Fix a few conditional bugs and related

---
 conf/modules.config      | 80 ++++++++++++++++++++++++++--------------
 docs/output.md           | 19 +++++-----
 nextflow.config          |  2 +-
 workflows/taxprofiler.nf |  9 +++--
 4 files changed, 70 insertions(+), 40 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 5662cb4..0e7e2ea 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -73,10 +73,10 @@ process {
                 pattern: '*.{log,html,json}'
             ],
             [
-                path: { "${params.outdir}/analysis_ready_reads" },
+                path: { "${params.outdir}/analysis_ready_fastqs" },
                 mode: params.publish_dir_mode,
                 pattern: '*.fastq.gz',
-                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && !params.shortread_complexityfilter_tool && !params.perform_shortread_qc && params.save_analysis_ready_reads
+                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && !params.shortread_complexityfilter_tool && params.perform_shortread_qc && params.save_analysis_ready_fastqs
             ]
         ]
     }
@@ -107,10 +107,10 @@ process {
                 pattern: '*.{log,html,json}'
             ],
             [
-                path: { "${params.outdir}/analysis_ready_reads" },
+                path: { "${params.outdir}/analysis_ready_fastqs" },
                 mode: params.publish_dir_mode,
                 pattern: '*.fastq.gz',
-                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && !params.shortread_complexityfilter_tool && !params.perform_shortread_qc && params.save_analysis_ready_reads
+                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && !params.shortread_complexityfilter_tool && params.perform_shortread_qc && params.save_analysis_ready_fastqs
             ]
         ]
     }
@@ -136,10 +136,10 @@ process {
                 pattern: '*.settings'
             ],
             [
-                path: { "${params.outdir}/analysis_ready_reads" },
+                path: { "${params.outdir}/analysis_ready_fastqs" },
                 mode: params.publish_dir_mode,
                 pattern: '*.fastq.gz',
-                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && !params.shortread_complexityfilter_tool && !params.perform_shortread_qc && params.save_analysis_ready_reads
+                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && !params.shortread_complexityfilter_tool && params.perform_shortread_qc && params.save_analysis_ready_fastqs
             ]
         ]
     }
@@ -166,12 +166,19 @@ process {
                 path: { "${params.outdir}/adapterremoval" },
                 mode: params.publish_dir_mode,
                 pattern: '*.settings'
-            ],
+            ]
+        ]
+    }
+
+    // AdapterRemoval separate output merging
+    withName: CAT_FASTQ {
+        ext.prefix = { "${meta.id}_${meta.run_accession}" }
+        publishDir = [
             [
-                path: { "${params.outdir}/analysis_ready_reads" },
+                path: { "${params.outdir}/analysis_ready_fastqs" },
                 mode: params.publish_dir_mode,
                 pattern: '*.fastq.gz',
-                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && !params.shortread_complexityfilter_tool && !params.perform_shortread_qc && params.save_analysis_ready_reads
+                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && !params.shortread_complexityfilter_tool && params.perform_shortread_qc && params.save_analysis_ready_fastqs
             ]
         ]
     }
@@ -189,8 +196,13 @@ process {
                 path: { "${params.outdir}/porechop" },
                 mode: params.publish_dir_mode,
                 pattern: '*.log'
+            ],
+            [
+                path: { "${params.outdir}/analysis_ready_fastqs" },
+                mode: params.publish_dir_mode,
+                pattern: '*_porechopped.fastq.gz',
+                enabled: !params.perform_runmerging && !params.perform_longread_hostremoval && params.longread_qc_skipqualityfilter && !params.longread_qc_skipadaptertrim && params.perform_longread_qc && params.save_analysis_ready_fastqs
             ]
-            // TODO ANALYSIS READY
         ]
     }
 
@@ -213,9 +225,14 @@ process {
                 path: { "${params.outdir}/filtlong" },
                 mode: params.publish_dir_mode,
                 pattern: '*.log'
+            ],
+            [
+                path: { "${params.outdir}/analysis_ready_fastqs" },
+                mode: params.publish_dir_mode,
+                pattern: '*.fastq.gz',
+                enabled: !params.perform_runmerging && !params.perform_longread_hostremoval && !params.longread_qc_skipqualityfilter && params.perform_longread_qc && params.save_analysis_ready_fastqs
             ]
         ]
-        // TODO ANALYSIS READY
     }
 
     withName: BBMAP_BBDUK {
@@ -238,10 +255,10 @@ process {
                 pattern: '*.log'
             ],
             [
-                path: { "${params.outdir}/analysis_ready_reads" },
+                path: { "${params.outdir}/analysis_ready_fastqs" },
                 mode: params.publish_dir_mode,
                 pattern: '*.fastq.gz',
-                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && params.shortread_complexityfilter_tool && params.save_analysis_ready_reads
+                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && params.shortread_complexityfilter_tool && params.save_analysis_ready_fastqs
             ]
         ]
     }
@@ -265,10 +282,10 @@ process {
                 pattern: '*.log'
             ],
             [
-                path: { "${params.outdir}/analysis_ready_reads" },
+                path: { "${params.outdir}/analysis_ready_fastqs" },
                 mode: params.publish_dir_mode,
                 pattern: '*.fastq.gz',
-                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && params.shortread_complexityfilter_tool && params.save_analysis_ready_reads
+                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && params.shortread_complexityfilter_tool && params.save_analysis_ready_fastqs
             ]
         ]
     }
@@ -282,10 +299,10 @@ process {
             enabled: params.save_hostremoval_index
             ],
             [
-                path: { "${params.outdir}/analysis_ready_reads" },
+                path: { "${params.outdir}/analysis_ready_fastqs" },
                 mode: params.publish_dir_mode,
                 pattern: '*.fastq.gz',
-                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && !params.shortread_complexityfilter_tool && !params.perform_shortread_qc && params.save_analysis_ready_reads
+                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && !params.shortread_complexityfilter_tool && !params.perform_shortread_qc && params.save_analysis_ready_fastqs
             ]
         ]
     }
@@ -312,10 +329,11 @@ process {
                 enabled: params.save_hostremoval_unmapped
             ],
             [
-                path: { "${params.outdir}/analysis_ready_reads" },
+                path: { "${params.outdir}/analysis_ready_fastqs" },
                 mode: params.publish_dir_mode,
+                enabled: params.perform_shortread_hostremoval,
                 pattern: '*.fastq.gz',
-                saveAs: { (( !params.perform_runmerging | params.perform_runmerging && !${meta.is_multirun} ) && params.perform_shortread_hostremoval && params.save_analysis_ready_reads ) ? it : null }
+                saveAs: { ( params.perform_runmerging == false || params.perform_runmerging && !meta.is_multirun ) && params.perform_shortread_hostremoval && params.save_analysis_ready_fastqs ? it : null }
             ]
         ]
     }
@@ -338,7 +356,6 @@ process {
             pattern: '*.bam',
             enabled: params.save_hostremoval_bam
         ]
-        // TODO ANALYSIS READY READS
     }
 
     withName: SAMTOOLS_VIEW {
@@ -349,10 +366,19 @@ process {
     withName: SAMTOOLS_BAM2FQ {
         ext.prefix = { "${meta.id}_${meta.run_accession}.unmapped" }
         publishDir = [
-            path: { "${params.outdir}/samtools/bam2fq" },
-            mode: params.publish_dir_mode,
-            pattern: '*.fq.gz',
-            enabled: params.save_hostremoval_unmapped
+            [
+                path: { "${params.outdir}/samtools/bam2fq" },
+                mode: params.publish_dir_mode,
+                pattern: '*.fq.gz',
+                enabled: params.save_hostremoval_unmapped
+            ],
+            [
+                path: { "${params.outdir}/analysis_ready_fastqs" },
+                mode: params.publish_dir_mode,
+                pattern: '*.fastq.gz',
+                enabled: params.save_analysis_ready_fastqs,
+                saveAs: { ( !params.perform_runmerging | params.perform_runmerging && !meta.is_multirun ) && params.perform_longread_hostremoval && params.save_analysis_ready_fastqs ? it : null }
+            ]
         ]
     }
 
@@ -365,7 +391,7 @@ process {
         ]
     }
 
-    withName: CAT_FASTQ {
+    withName: MERGE_RUNS {
         ext.prefix = { "${meta.id}" }
         publishDir = [
             [
@@ -375,10 +401,10 @@ process {
                 enabled: params.save_runmerged_reads
             ],
             [
-                path: { "${params.outdir}/analysis_ready_reads" },
+                path: { "${params.outdir}/analysis_ready_fastqs" },
                 mode: params.publish_dir_mode,
                 pattern: '*.fastq.gz',
-                enabled: params.perform_runmerging && params.save_analysis_ready_reads
+                enabled: params.perform_runmerging && params.save_analysis_ready_fastqs
             ]
         ]
     }
diff --git a/docs/output.md b/docs/output.md
index 4ef6770..3936344 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -102,7 +102,7 @@ You can change the default value for low complexity filtering by using the argum
 
 By default nf-core/taxprofiler will only provide the `.settings` file if AdapterRemoval is selected.
 
-You will only find the `.fastq` files in the results directory if you provide ` --save_preprocessed_reads`. If this is selected, you may receive different combinations of `.fastq` files for each sample depending on the input types - e.g. whether you have merged or not, or if you're supplying both single- and paired-end reads.
+You will only find the `.fastq` files in the results directory if you provide ` --save_preprocessed_reads`. If this is selected, you may receive different combinations of `.fastq` files for each sample depending on the input types - e.g. whether you have merged or not, or if you're supplying both single- and paired-end reads. Alternatively, if you wish only to have the 'final' reads that go into classification/profiling (i.e., that may have additional processing), do not specify this flag but rather specify `--save_analysis_ready_reads`, in which case the reads will be in the folder `analysis_ready_reads`
 
 > ⚠️ The resulting `.fastq` files may _not_ always be the 'final' reads that go into taxprofiling, if you also run other steps such as complexity filtering, host removal, run merging etc..
 
@@ -121,7 +121,7 @@ You will only find the `.fastq` files in the results directory if you provide `
 
 The output logs are saved in the output folder and are part of MultiQC report.You do not normally need to check these manually.
 
-You will only find the `.fastq` files in the results directory if you provide ` --save_preprocessed_reads`.
+You will only find the `.fastq` files in the results directory if you provide ` --save_preprocessed_reads`. Alternatively, if you wish only to have the 'final' reads that go into classification/profiling (i.e., that may have additional processing), do not specify this flag but rather specify `--save_analysis_ready_reads`, in which case the reads will be in the folder `analysis_ready_reads`
 
 > ⚠️ We do **not** recommend using Porechop if you are already trimming the adapters with ONT's basecaller Guppy.
 
@@ -140,7 +140,7 @@ It is used in nf-core/taxprofiler for complexity filtering using different algor
 
 </details>
 
-By default nf-core/taxprofiler will only provide the `.log` file if BBDuk is selected as the complexity filtering tool. You will only find the complexity filtered reads in your results directory if you provide ` --save_complexityfiltered_reads` .
+By default nf-core/taxprofiler will only provide the `.log` file if BBDuk is selected as the complexity filtering tool. You will only find the complexity filtered reads in your results directory if you provide ` --save_complexityfiltered_reads`. Alternatively, if you wish only to have the 'final' reads that go into classification/profiling (i.e., that may have additional processing), do not specify this flag but rather specify `--save_analysis_ready_reads`, in which case the reads will be in the folder `analysis_ready_reads`
 
 > ⚠️ The resulting `.fastq` files may _not_ always be the 'final' reads that go into taxprofiling, if you also run other steps such as host removal, run merging etc..
 
@@ -159,7 +159,7 @@ It is used in nf-core/taxprofiler for complexity filtering using different algor
 
 </details>
 
-By default nf-core/taxprofiler will only provide the `.log` file if PRINSEQ++ is selected as the complexity filtering tool. You will only find the complexity filtered `.fastq` files in your results directory if you supply ` --save_complexityfiltered_reads` .
+By default nf-core/taxprofiler will only provide the `.log` file if PRINSEQ++ is selected as the complexity filtering tool. You will only find the complexity filtered `.fastq` files in your results directory if you supply ` --save_complexityfiltered_reads`. Alternatively, if you wish only to have the 'final' reads that go into classification/profiling (i.e., that may have additional processing), do not specify this flag but rather specify `--save_analysis_ready_reads`, in which case the reads will be in the folder `analysis_ready_reads`
 
 > ⚠️ The resulting `.fastq` files may _not_ always be the 'final' reads that go into taxprofiling, if you also run other steps such as host removal, run merging etc..
 
@@ -176,7 +176,7 @@ By default nf-core/taxprofiler will only provide the `.log` file if PRINSEQ++ is
 
 </details>
 
-You will only find the `.fastq` files in the results directory if you provide ` --save_preprocessed_reads`.
+You will only find the `.fastq` files in the results directory if you provide ` --save_preprocessed_reads`. Alternatively, if you wish only to have the 'final' reads that go into classification/profiling (i.e., that may have additional processing), do not specify this flag but rather specify `--save_analysis_ready_reads`, in which case the reads will be in the folder `analysis_ready_reads`
 
 > ⚠️ We do **not** recommend using Filtlong if you are performing filtering of low quality reads with ONT's basecaller Guppy.
 
@@ -199,7 +199,7 @@ It is used with nf-core/taxprofiler to allow removal of 'host' (e.g. human) and/
 
 </details>
 
-By default nf-core/taxprofiler will only provide the `.log` file if host removal is turned on. You will only have a `.bam` file if you specify `--save_hostremoval_bam`. This will contain _both_ mapped and unmapped reads. You will only get FASTQ files if you specify to save `--save_hostremoval_unmapped` - these contain only unmapped reads.
+By default nf-core/taxprofiler will only provide the `.log` file if host removal is turned on. You will only have a `.bam` file if you specify `--save_hostremoval_bam`. This will contain _both_ mapped and unmapped reads. You will only get FASTQ files if you specify to save `--save_hostremoval_unmapped` - these contain only unmapped reads. Alternatively, if you wish only to have the 'final' reads that go into classification/profiling (i.e., that may have additional processing), do not specify this flag but rather specify `--save_analysis_ready_reads`, in which case the reads will be in the folder `analysis_ready_reads`
 
 > ℹ️ Unmapped reads in FASTQ are only found in this directory for short-reads, for long-reads see [`samtools/bam2fq/`](#samtools-bam2fq)
 
@@ -242,7 +242,7 @@ By default, nf-core/taxprofiler will only provide the `.bam` file containing map
 
 </details>
 
-This directory will be present and contain the unmapped reads from the `.fastq` format from long-read minimap2 host removal, if `--save_hostremoval_unmapped` is supplied
+This directory will be present and contain the unmapped reads from the `.fastq` format from long-read minimap2 host removal, if `--save_hostremoval_unmapped` is supplied. Alternatively, if you wish only to have the 'final' reads that go into classification/profiling (i.e., that may have additional processing), do not specify this flag but rather specify `--save_analysis_ready_reads`, in which case the reads will be in the folder `analysis_ready_reads`
 
 > ℹ️ For short-read unmapped reads, see [bowtie2](#bowtie2).
 
@@ -264,7 +264,7 @@ In most cases you do not need to check this file, as it is rendered in the Multi
 
 nf-core/taxprofiler offers the option to merge FASTQ files of multiple sequencing runs or libraries that derive from the same sample, as specified in the input samplesheet.
 
-This is the last preprocessing step, so if you have multiple runs or libraries (and run merging turned on), this will represent the final reads that will go into classification/profiling steps.
+This is the last possible preprocessing step, so if you have multiple runs or libraries (and run merging turned on), this will represent the final reads that will go into classification/profiling steps.
 
 <details markdown="1">
 <summary>Output files</summary>
@@ -274,9 +274,10 @@ This is the last preprocessing step, so if you have multiple runs or libraries (
 
 </details>
 
+
 Note that you will only find samples that went through the run merging step in this directory. For samples that had a single run or library will not go through this step of the pipeline and thus will not be present in this directory.
 
-⚠️ You must make sure to turn on the saving of the reads from the previous preprocessing step you may have turned on, if you have single-run or library reads in your pipeline run, and wish to save the final reads that go into classification/profiling!
+This directory and it's FASTQ files will only be present if you supply `--save_runmerged_reads`.Alternatively, if you wish only to have the 'final' reads that go into classification/profiling (i.e., that may have additional processing), do not specify this flag but rather specify `--save_analysis_ready_reads`, in which case the reads will be in the folder `analysis_ready_reads`
 
 ### Bracken
 
diff --git a/nextflow.config b/nextflow.config
index 0e6850f..0590334 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -106,7 +106,7 @@ params {
     save_hostremoval_unmapped              = false
 
     // Publishing final reads going into profiling
-    save_analysis_ready_reads = false
+    save_analysis_ready_fastqs = false
 
     // MALT
     run_malt                   = false
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index e44015f..54a2bad 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -91,7 +91,7 @@ include { FASTQC                      } from '../modules/nf-core/fastqc/main'
 include { FALCO                       } from '../modules/nf-core/falco/main'
 include { MULTIQC                     } from '../modules/nf-core/multiqc/main'
 include { CUSTOM_DUMPSOFTWAREVERSIONS } from '../modules/nf-core/custom/dumpsoftwareversions/main'
-include { CAT_FASTQ                   } from '../modules/nf-core/cat/fastq/main'
+include { CAT_FASTQ as MERGE_RUNS     } from '../modules/nf-core/cat/fastq/main'
 
 /*
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
@@ -121,6 +121,9 @@ workflow TAXPROFILER {
     )
     ch_versions = ch_versions.mix(INPUT_CHECK.out.versions)
 
+    // Save final FASTA reads if requested, as otherwise no processing occurs on FASTA
+
+
     DB_CHECK (
         ch_databases
     )
@@ -210,7 +213,7 @@ workflow TAXPROFILER {
                 skip: true
             }
 
-        ch_reads_runmerged = CAT_FASTQ ( ch_reads_for_cat_branch.cat ).reads
+        ch_reads_runmerged = MERGE_RUNS ( ch_reads_for_cat_branch.cat ).reads
             .mix( ch_reads_for_cat_branch.skip )
             .map {
                 meta, reads ->
@@ -218,7 +221,7 @@ workflow TAXPROFILER {
             }
             .mix( INPUT_CHECK.out.fasta )
 
-        ch_versions = ch_versions.mix(CAT_FASTQ.out.versions)
+        ch_versions = ch_versions.mix(MERGE_RUNS.out.versions)
 
     } else {
         ch_reads_runmerged = ch_shortreads_hostremoved

From a3d077fcbcb1ee495db3018d832cfb6a4f349842 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Thu, 23 Mar 2023 17:05:34 +0100
Subject: [PATCH 756/789] Prettier

---
 modules.json | 174 +++++++++++++--------------------------------------
 1 file changed, 44 insertions(+), 130 deletions(-)

diff --git a/modules.json b/modules.json
index b61b140..65d8b70 100644
--- a/modules.json
+++ b/modules.json
@@ -8,308 +8,222 @@
                     "adapterremoval": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "bbmap/bbduk": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "bowtie2/align": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "bowtie2/build": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "bracken/bracken": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "bracken/combinebrackenoutputs": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "cat/fastq": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "centrifuge/centrifuge": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "centrifuge/kreport": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "custom/dumpsoftwareversions": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "diamond/blastx": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "falco": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ],
+                        "installed_by": ["modules"],
                         "patch": "modules/nf-core/falco/falco.diff"
                     },
                     "fastp": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "fastqc": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "filtlong": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "gunzip": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "kaiju/kaiju": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "kaiju/kaiju2krona": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "kaiju/kaiju2table": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "kraken2/kraken2": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "krakentools/combinekreports": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "krakentools/kreport2krona": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "krakenuniq/preloadedkrakenuniq": {
                         "branch": "master",
                         "git_sha": "a6eb17f65b3ee5761c25c075a6166c9f76733cee",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "krona/ktimporttaxonomy": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "krona/ktimporttext": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "malt/run": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "megan/rma2info": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "metaphlan3/mergemetaphlantables": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "metaphlan3/metaphlan3": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "minimap2/align": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "minimap2/index": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "motus/merge": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "motus/profile": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "multiqc": {
                         "branch": "master",
                         "git_sha": "ee80d14721e76e2e079103b8dcd5d57129e584ba",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "porechop/porechop": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ],
+                        "installed_by": ["modules"],
                         "patch": "modules/nf-core/porechop/porechop/porechop-porechop.diff"
                     },
                     "prinseqplusplus": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "samtools/bam2fq": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "samtools/fastq": {
                         "branch": "master",
                         "git_sha": "0f8a77ff00e65eaeebc509b8156eaa983192474b",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "samtools/index": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "samtools/stats": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "samtools/view": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "taxpasta/merge": {
                         "branch": "master",
                         "git_sha": "ffa9641ee18f88aff974257cb50ba3cf8f7d143c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "untar": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     }
                 }
             }
         }
     }
-}
\ No newline at end of file
+}

From e274823f735537b91780f05bf1bd64a69e0092ab Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Mon, 27 Mar 2023 12:42:28 +0200
Subject: [PATCH 757/789] Add conf for samtools/fastq

---
 conf/modules.config | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index ee1a3d2..78d8153 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -250,12 +250,12 @@ process {
         ext.prefix = { "${meta.id}_${meta.run_accession}.unmapped" }
     }
 
-    withName: SAMTOOLS_BAM2FQ {
+    withName: SAMTOOLS_FASTQ {
         ext.prefix = { "${meta.id}_${meta.run_accession}.unmapped" }
         publishDir = [
-            path: { "${params.outdir}/samtools/bam2fq" },
+            path: { "${params.outdir}/samtools/fastq" },
             mode: params.publish_dir_mode,
-            pattern: '*.fq.gz',
+            pattern: '*.fastq.gz',
             enabled: params.save_hostremoval_unmapped
         ]
     }

From 8745fc625c17ac39d6fdc54702164ad056a6cfed Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Wed, 29 Mar 2023 15:36:20 +0200
Subject: [PATCH 758/789] Correct output file from samtools/fastq

---
 subworkflows/local/longread_hostremoval.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/longread_hostremoval.nf b/subworkflows/local/longread_hostremoval.nf
index 7242bbd..ff62c30 100644
--- a/subworkflows/local/longread_hostremoval.nf
+++ b/subworkflows/local/longread_hostremoval.nf
@@ -54,7 +54,7 @@ workflow LONGREAD_HOSTREMOVAL {
 
     emit:
     stats    = SAMTOOLS_STATS.out.stats     //channel: [val(meta), [reads  ] ]
-    reads    = SAMTOOLS_FASTQ.out.fastq   // channel: [ val(meta), [ reads ] ]
+    reads    = SAMTOOLS_FASTQ.out.other   // channel: [ val(meta), [ reads ] ]
     versions = ch_versions                 // channel: [ versions.yml ]
     mqc      = ch_multiqc_files
 }

From 021f5f0a2200c4ea9d5275f3c6fc8ceaf3a74675 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Fri, 31 Mar 2023 10:28:36 +0200
Subject: [PATCH 759/789] Remove samtools/bam2fq module

---
 modules.json                             | 175 ++++++++++++++++-------
 modules/nf-core/samtools/bam2fq/main.nf  |  56 --------
 modules/nf-core/samtools/bam2fq/meta.yml |  55 -------
 3 files changed, 127 insertions(+), 159 deletions(-)
 delete mode 100644 modules/nf-core/samtools/bam2fq/main.nf
 delete mode 100644 modules/nf-core/samtools/bam2fq/meta.yml

diff --git a/modules.json b/modules.json
index 65d8b70..63de285 100644
--- a/modules.json
+++ b/modules.json
@@ -8,222 +8,301 @@
                     "adapterremoval": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "bbmap/bbduk": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "bowtie2/align": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "bowtie2/build": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "bracken/bracken": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "bracken/combinebrackenoutputs": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "cat/fastq": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "centrifuge/centrifuge": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "centrifuge/kreport": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "custom/dumpsoftwareversions": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "diamond/blastx": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "falco": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"],
+                        "installed_by": [
+                            "modules"
+                        ],
                         "patch": "modules/nf-core/falco/falco.diff"
                     },
                     "fastp": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "fastqc": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "filtlong": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "gunzip": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "kaiju/kaiju": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "kaiju/kaiju2krona": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "kaiju/kaiju2table": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "kraken2/kraken2": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "krakentools/combinekreports": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "krakentools/kreport2krona": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "krakenuniq/preloadedkrakenuniq": {
                         "branch": "master",
                         "git_sha": "a6eb17f65b3ee5761c25c075a6166c9f76733cee",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "krona/ktimporttaxonomy": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "krona/ktimporttext": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "malt/run": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "megan/rma2info": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "metaphlan3/mergemetaphlantables": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "metaphlan3/metaphlan3": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "minimap2/align": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "minimap2/index": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "motus/merge": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "motus/profile": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "multiqc": {
                         "branch": "master",
                         "git_sha": "ee80d14721e76e2e079103b8dcd5d57129e584ba",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "porechop/porechop": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"],
+                        "installed_by": [
+                            "modules"
+                        ],
                         "patch": "modules/nf-core/porechop/porechop/porechop-porechop.diff"
                     },
                     "prinseqplusplus": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
-                    },
-                    "samtools/bam2fq": {
-                        "branch": "master",
-                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "samtools/fastq": {
                         "branch": "master",
                         "git_sha": "0f8a77ff00e65eaeebc509b8156eaa983192474b",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "samtools/index": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "samtools/stats": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "samtools/view": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "taxpasta/merge": {
                         "branch": "master",
                         "git_sha": "ffa9641ee18f88aff974257cb50ba3cf8f7d143c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     },
                     "untar": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": ["modules"]
+                        "installed_by": [
+                            "modules"
+                        ]
                     }
                 }
             }
         }
     }
-}
+}
\ No newline at end of file
diff --git a/modules/nf-core/samtools/bam2fq/main.nf b/modules/nf-core/samtools/bam2fq/main.nf
deleted file mode 100644
index 0b06352..0000000
--- a/modules/nf-core/samtools/bam2fq/main.nf
+++ /dev/null
@@ -1,56 +0,0 @@
-process SAMTOOLS_BAM2FQ {
-    tag "$meta.id"
-    label 'process_low'
-
-    conda "bioconda::samtools=1.16.1"
-    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/samtools:1.16.1--h6899075_1' :
-        'quay.io/biocontainers/samtools:1.16.1--h6899075_1' }"
-
-    input:
-    tuple val(meta), path(inputbam)
-    val split
-
-    output:
-    tuple val(meta), path("*.fq.gz"), emit: reads
-    path "versions.yml"             , emit: versions
-
-    when:
-    task.ext.when == null || task.ext.when
-
-    script:
-    def args = task.ext.args ?: ''
-    def prefix = task.ext.prefix ?: "${meta.id}"
-
-    if (split){
-        """
-        samtools \\
-            bam2fq \\
-            $args \\
-            -@ $task.cpus \\
-            -1 ${prefix}_1.fq.gz \\
-            -2 ${prefix}_2.fq.gz \\
-            -0 ${prefix}_other.fq.gz \\
-            -s ${prefix}_singleton.fq.gz \\
-            $inputbam
-
-        cat <<-END_VERSIONS > versions.yml
-        "${task.process}":
-            samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//')
-        END_VERSIONS
-        """
-    } else {
-        """
-        samtools \\
-            bam2fq \\
-            $args \\
-            -@ $task.cpus \\
-            $inputbam | gzip --no-name > ${prefix}_interleaved.fq.gz
-
-        cat <<-END_VERSIONS > versions.yml
-        "${task.process}":
-            samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//')
-        END_VERSIONS
-        """
-    }
-}
diff --git a/modules/nf-core/samtools/bam2fq/meta.yml b/modules/nf-core/samtools/bam2fq/meta.yml
deleted file mode 100644
index 319a60c..0000000
--- a/modules/nf-core/samtools/bam2fq/meta.yml
+++ /dev/null
@@ -1,55 +0,0 @@
-name: samtools_bam2fq
-description: |
-  The module uses bam2fq method from samtools to
-  convert a SAM, BAM or CRAM file to FASTQ format
-keywords:
-  - bam2fq
-  - samtools
-  - fastq
-tools:
-  - samtools:
-      description: Tools for dealing with SAM, BAM and CRAM files
-      homepage: None
-      documentation: http://www.htslib.org/doc/1.1/samtools.html
-      tool_dev_url: None
-      doi: ""
-      licence: ["MIT"]
-
-input:
-  - meta:
-      type: map
-      description: |
-        Groovy Map containing sample information
-        e.g. [ id:'test', single_end:false ]
-  - inputbam:
-      type: file
-      description: BAM/CRAM/SAM file
-      pattern: "*.{bam,cram,sam}"
-  - split:
-      type: boolean
-      description: |
-        TRUE/FALSE value to indicate if reads should be separated into
-        /1, /2 and if present other, or singleton.
-        Note: choosing TRUE will generate 4 different files.
-        Choosing FALSE will produce a single file, which will be interleaved in case
-        the input contains paired reads.
-
-output:
-  - meta:
-      type: map
-      description: |
-        Groovy Map containing sample information
-        e.g. [ id:'test', single_end:false ]
-  - versions:
-      type: file
-      description: File containing software versions
-      pattern: "versions.yml"
-  - reads:
-      type: file
-      description: |
-        FASTQ files, which will be either a group of 4 files (read_1, read_2, other and singleton)
-        or a single interleaved .fq.gz file if the user chooses not to split the reads.
-      pattern: "*.fq.gz"
-
-authors:
-  - "@lescai"

From d6b60643d9d2143e3b539e9856aa4aff4029913d Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Fri, 31 Mar 2023 10:35:40 +0200
Subject: [PATCH 760/789] Prettier

---
 modules.json | 170 +++++++++++++--------------------------------------
 1 file changed, 43 insertions(+), 127 deletions(-)

diff --git a/modules.json b/modules.json
index 63de285..9aa617a 100644
--- a/modules.json
+++ b/modules.json
@@ -8,301 +8,217 @@
                     "adapterremoval": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "bbmap/bbduk": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "bowtie2/align": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "bowtie2/build": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "bracken/bracken": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "bracken/combinebrackenoutputs": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "cat/fastq": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "centrifuge/centrifuge": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "centrifuge/kreport": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "custom/dumpsoftwareversions": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "diamond/blastx": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "falco": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ],
+                        "installed_by": ["modules"],
                         "patch": "modules/nf-core/falco/falco.diff"
                     },
                     "fastp": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "fastqc": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "filtlong": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "gunzip": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "kaiju/kaiju": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "kaiju/kaiju2krona": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "kaiju/kaiju2table": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "kraken2/kraken2": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "krakentools/combinekreports": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "krakentools/kreport2krona": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "krakenuniq/preloadedkrakenuniq": {
                         "branch": "master",
                         "git_sha": "a6eb17f65b3ee5761c25c075a6166c9f76733cee",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "krona/ktimporttaxonomy": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "krona/ktimporttext": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "malt/run": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "megan/rma2info": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "metaphlan3/mergemetaphlantables": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "metaphlan3/metaphlan3": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "minimap2/align": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "minimap2/index": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "motus/merge": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "motus/profile": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "multiqc": {
                         "branch": "master",
                         "git_sha": "ee80d14721e76e2e079103b8dcd5d57129e584ba",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "porechop/porechop": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ],
+                        "installed_by": ["modules"],
                         "patch": "modules/nf-core/porechop/porechop/porechop-porechop.diff"
                     },
                     "prinseqplusplus": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "samtools/fastq": {
                         "branch": "master",
                         "git_sha": "0f8a77ff00e65eaeebc509b8156eaa983192474b",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "samtools/index": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "samtools/stats": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "samtools/view": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "taxpasta/merge": {
                         "branch": "master",
                         "git_sha": "ffa9641ee18f88aff974257cb50ba3cf8f7d143c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     },
                     "untar": {
                         "branch": "master",
                         "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
-                        "installed_by": [
-                            "modules"
-                        ]
+                        "installed_by": ["modules"]
                     }
                 }
             }
         }
     }
-}
\ No newline at end of file
+}

From 1eeeb8a21460b14eb0baf6e7b9e347b3c6d1de2b Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Tue, 4 Apr 2023 11:19:22 +0200
Subject: [PATCH 761/789] Reduce authors to main + other contributors

Due to tower limitation producing ugly warning
---
 nextflow.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/nextflow.config b/nextflow.config
index 05cd7ea..bf6d1bc 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -300,7 +300,7 @@ dag {
 
 manifest {
     name            = 'nf-core/taxprofiler'
-    author          = """James A. Fellows Yates, Sofia Stamouli, Moritz E. Beber, Lauri Mesilaakso, Thomas A. Christensen II, Jianhong Ou, Mahwash Jamy, Maxime Borry, Rafal Stepien, Tanja Normark"""
+    author          = """James A. Fellows Yates, Sofia Stamouli, Moritz E. Beber, and the nf-core/taxprofiler team"""
     homePage        = 'https://github.com/nf-core/taxprofiler'
     description     = """Taxonomic classification and profiling of shotgun metagenomic data"""
     mainScript      = 'main.nf'

From 03c3169f10da171715eccb4ad54cc046e871211c Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Tue, 4 Apr 2023 09:41:22 +0000
Subject: [PATCH 762/789] Replace all instance of exit 1 with error for safety
 and consistency

---
 subworkflows/local/db_check.nf    | 16 ++++++++--------
 subworkflows/local/input_check.nf |  8 ++++----
 workflows/taxprofiler.nf          | 16 ++++++++--------
 3 files changed, 20 insertions(+), 20 deletions(-)

diff --git a/subworkflows/local/db_check.nf b/subworkflows/local/db_check.nf
index 5cafae0..26ba748 100644
--- a/subworkflows/local/db_check.nf
+++ b/subworkflows/local/db_check.nf
@@ -22,7 +22,7 @@ workflow DB_CHECK {
             .map {
                 tool, db_name ->
                     def unique_names = db_name.unique(false)
-                    if ( unique_names.size() < db_name.size() ) exit 1, "[nf-core/taxprofiler] ERROR: Each database for a tool must have a unique name, duplicated detected. Tool: ${tool}, Database name: ${unique_names}"
+                    if ( unique_names.size() < db_name.size() ) error("[nf-core/taxprofiler] ERROR: Each database for a tool must have a unique name, duplicated detected. Tool: ${tool}, Database name: ${unique_names}")
             }
 
     // Normal checks for within-row validity, so can be moved to separate functions
@@ -55,24 +55,24 @@ workflow DB_CHECK {
 def validate_db_rows(LinkedHashMap row) {
 
     // check minimum number of columns
-    if (row.size() < 4) exit 1, "[nf-core/taxprofiler] ERROR: Invalid database input sheet - malformed row (e.g. missing column). See documentation for more information. Error in: ${row}"
+    if (row.size() < 4) error("[nf-core/taxprofiler] ERROR: Invalid database input sheet - malformed row (e.g. missing column). See documentation for more information. Error in: ${row}")
 
     // all columns there
     def expected_headers = ['tool', 'db_name', 'db_params', 'db_path']
-    if ( !row.keySet().containsAll(expected_headers) ) exit 1, "[nf-core/taxprofiler] ERROR: Invalid database input sheet - malformed column names. Please check input TSV. Column names should be: ${expected_headers.join(", ")}"
+    if ( !row.keySet().containsAll(expected_headers) ) error("[nf-core/taxprofiler] ERROR: Invalid database input sheet - malformed column names. Please check input TSV. Column names should be: ${expected_headers.join(", ")}")
 
     // valid tools specified
     def expected_tools = [ "bracken", "centrifuge", "diamond", "kaiju", "kraken2", "krakenuniq", "malt", "metaphlan3", "motus" ]
-    if ( !expected_tools.contains(row.tool) ) exit 1, "[nf-core/taxprofiler] ERROR: Invalid tool name. Please see documentation for all supported profilers. Error in: ${row}"
+    if ( !expected_tools.contains(row.tool) ) error("[nf-core/taxprofiler] ERROR: Invalid tool name. Please see documentation for all supported profilers. Error in: ${row}")
 
     // detect quotes in params
-    if ( row.db_params.contains('"') ) exit 1, "[nf-core/taxprofiler] ERROR: Invalid database db_params entry. No quotes allowed. Error in: ${row}"
-    if ( row.db_params.contains("'") ) exit 1, "[nf-core/taxprofiler] ERROR: Invalid database db_params entry. No quotes allowed. Error in: ${row}"
+    if ( row.db_params.contains('"') ) error("[nf-core/taxprofiler] ERROR: Invalid database db_params entry. No quotes allowed. Error in: ${row}")
+    if ( row.db_params.contains("'") ) error("[nf-core/taxprofiler] ERROR: Invalid database db_params entry. No quotes allowed. Error in: ${row}")
 
     // check if any form of bracken params, that it must have `;`
-    if ( row.tool == 'bracken' && row.db_params && !row.db_params.contains(";") )  exit 1, "[nf-core/taxprofiler] ERROR: Invalid database db_params entry. Bracken requires a semi-colon if passing parameter. Error in: ${row}"
+    if ( row.tool == 'bracken' && row.db_params && !row.db_params.contains(";") )  error("[nf-core/taxprofiler] ERROR: Invalid database db_params entry. Bracken requires a semi-colon if passing parameter. Error in: ${row}")
 
     // ensure that the database directory exists
-    if (!file(row.db_path, type: 'dir').exists()) exit 1, "ERROR: Please check input samplesheet -> database path could not be found!\n${row.db_path}"
+    if (!file(row.db_path, type: 'dir').exists()) error("ERROR: Please check input samplesheet -> database path could not be found!\n${row.db_path}")
 
 }
diff --git a/subworkflows/local/input_check.nf b/subworkflows/local/input_check.nf
index 5764b72..2388173 100644
--- a/subworkflows/local/input_check.nf
+++ b/subworkflows/local/input_check.nf
@@ -44,7 +44,7 @@ def create_fastq_channel(LinkedHashMap row) {
 
     // add path(s) of the fastq file(s) to the meta map
     if (!file(row.fastq_1).exists()) {
-        exit 1, "ERROR: Please check input samplesheet -> Read 1 FastQ file does not exist!\n${row.fastq_1}"
+        error("ERROR: Please check input samplesheet -> Read 1 FastQ file does not exist!\n${row.fastq_1}")
     }
 
     if (meta.single_end) {
@@ -52,12 +52,12 @@ def create_fastq_channel(LinkedHashMap row) {
     } else {
         if (meta.instrument_platform == 'OXFORD_NANOPORE') {
             if (row.fastq_2 != '') {
-                exit 1, "ERROR: Please check input samplesheet -> For Oxford Nanopore reads Read 2 FastQ should be empty!\n${row.fastq_2}"
+                error("ERROR: Please check input samplesheet -> For Oxford Nanopore reads Read 2 FastQ should be empty!\n${row.fastq_2}")
             }
             return [ meta, [ file(row.fastq_1) ] ]
         } else {
             if (!file(row.fastq_2).exists()) {
-                exit 1, "ERROR: Please check input samplesheet -> Read 2 FastQ file does not exist!\n${row.fastq_2}"
+                error("ERROR: Please check input samplesheet -> Read 2 FastQ file does not exist!\n${row.fastq_2}")
             }
             return [ meta, [ file(row.fastq_1), file(row.fastq_2) ] ]
         }
@@ -72,7 +72,7 @@ def create_fasta_channel(LinkedHashMap row) {
     meta.is_fasta   = true
 
     if (!file(row.fasta).exists()) {
-        exit 1, "ERROR: Please check input samplesheet -> FastA file does not exist!\n${row.fasta}"
+        error("ERROR: Please check input samplesheet -> FastA file does not exist!\n${row.fasta}")
     }
     return [ meta, [ file(row.fasta) ] ]
 }
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 25c8d76..cf888e2 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -24,19 +24,19 @@ for (param in checkPathParamList) { if (param) { file(param, checkIfExists: true
 if ( params.input ) {
     ch_input              = file(params.input, checkIfExists: true)
 } else {
-    exit 1, "Input samplesheet not specified"
+    error("Input samplesheet not specified")
 }
 
-if (params.databases) { ch_databases = file(params.databases, checkIfExists: true) } else { exit 1, 'Input database sheet not specified!' }
+if (params.databases) { ch_databases = file(params.databases, checkIfExists: true) } else { error('Input database sheet not specified!') }
 
 if (!params.shortread_qc_mergepairs && params.run_malt ) log.warn "[nf-core/taxprofiler] MALT does not accept uncollapsed paired-reads. Pairs will be profiled as separate files."
-if (params.shortread_qc_includeunmerged && !params.shortread_qc_mergepairs) exit 1, "ERROR: [nf-core/taxprofiler] cannot include unmerged reads when merging is not turned on. Please specify --shortread_qc_mergepairs"
+if (params.shortread_qc_includeunmerged && !params.shortread_qc_mergepairs) error("ERROR: [nf-core/taxprofiler] cannot include unmerged reads when merging is not turned on. Please specify --shortread_qc_mergepairs")
 
-if (params.shortread_complexityfilter_tool == 'fastp' && ( params.perform_shortread_qc == false || params.shortread_qc_tool != 'fastp' ))  exit 1, "ERROR: [nf-core/taxprofiler] cannot use fastp complexity filtering if preprocessing not turned on and/or tool is not fastp. Please specify --perform_shortread_qc and/or --shortread_qc_tool 'fastp'"
+if (params.shortread_complexityfilter_tool == 'fastp' && ( params.perform_shortread_qc == false || params.shortread_qc_tool != 'fastp' ))  error("ERROR: [nf-core/taxprofiler] cannot use fastp complexity filtering if preprocessing not turned on and/or tool is not fastp. Please specify --perform_shortread_qc and/or --shortread_qc_tool 'fastp'")
 
-if (params.perform_shortread_hostremoval && !params.hostremoval_reference) { exit 1, "ERROR: [nf-core/taxprofiler] --shortread_hostremoval requested but no --hostremoval_reference FASTA supplied. Check input." }
-if (params.perform_shortread_hostremoval && !params.hostremoval_reference && params.shortread_hostremoval_index) { exit 1, "ERROR: [nf-core/taxprofiler] --shortread_hostremoval_index provided but no --hostremoval_reference FASTA supplied. Check input." }
-if (params.perform_longread_hostremoval && !params.hostremoval_reference && params.longread_hostremoval_index) { exit 1, "ERROR: [nf-core/taxprofiler] --longread_hostremoval_index provided but no --hostremoval_reference FASTA supplied. Check input." }
+if (params.perform_shortread_hostremoval && !params.hostremoval_reference) { error("ERROR: [nf-core/taxprofiler] --shortread_hostremoval requested but no --hostremoval_reference FASTA supplied. Check input.") }
+if (params.perform_shortread_hostremoval && !params.hostremoval_reference && params.shortread_hostremoval_index) { error("ERROR: [nf-core/taxprofiler] --shortread_hostremoval_index provided but no --hostremoval_reference FASTA supplied. Check input.") }
+if (params.perform_longread_hostremoval && !params.hostremoval_reference && params.longread_hostremoval_index) { error("ERROR: [nf-core/taxprofiler] --longread_hostremoval_index provided but no --hostremoval_reference FASTA supplied. Check input.") }
 
 if (params.hostremoval_reference           ) { ch_reference = file(params.hostremoval_reference) }
 if (params.shortread_hostremoval_index     ) { ch_shortread_reference_index = Channel.fromPath(params.shortread_hostremoval_index).map{[[], it]} } else { ch_shortread_reference_index = [] }
@@ -45,7 +45,7 @@ if (params.longread_hostremoval_index      ) { ch_longread_reference_index  = fi
 if (params.diamond_save_reads              ) log.warn "[nf-core/taxprofiler] DIAMOND only allows output of a single format. As --diamond_save_reads supplied, only aligned reads in SAM format will be produced, no taxonomic profiles will be available."
 
 if (params.run_malt && params.run_krona && !params.krona_taxonomy_directory) log.warn "[nf-core/taxprofiler] Krona can only be run on MALT output if path to Krona taxonomy database supplied to --krona_taxonomy_directory. Krona will not be executed in this run for MALT."
-if (params.run_bracken && !params.run_kraken2) exit 1, 'ERROR: [nf-core/taxprofiler] You are attempting to run Bracken without running kraken2. This is not possible! Please set --run_kraken2 as well.'
+if (params.run_bracken && !params.run_kraken2) error('ERROR: [nf-core/taxprofiler] You are attempting to run Bracken without running kraken2. This is not possible! Please set --run_kraken2 as well.')
 
 /*
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

From 59f8d75e9e73ee4b3f9d6139dcb3bae494956fc4 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Tue, 4 Apr 2023 09:43:01 +0000
Subject: [PATCH 763/789] update CHAGENLGO

---
 CHANGELOG.md | 1 +
 1 file changed, 1 insertion(+)

diff --git a/CHANGELOG.md b/CHANGELOG.md
index edcdf11..a827e9e 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -12,6 +12,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 - [#271](https://github.com/nf-core/taxprofiler/pull/271/files) Improved standardised table generation documentation nd mOTUs manual database download tutorial (♥ to @prototaxites for reporting, fix by @jfy133)
 - [#269](https://github.com/nf-core/taxprofiler/pull/269/files) Reduced output files in AWS full test output due to very large files
 - [#270](https://github.com/nf-core/taxprofiler/pull/270/files) Fixed warning for host removal index parameter, and improved index checks (♥ to @prototaxites for reporting, fix by @jfy133)
+- [#275](https://github.com/nf-core/taxprofiler/pull/275/files) Replaced function used for error reporting to more Nextflow friendly method (fix by @jfy133)
 
 ### `Dependencies`
 

From 5eee462b5a7c0b2cc9285e394eefeb677e11e29d Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Tue, 4 Apr 2023 11:45:06 +0200
Subject: [PATCH 764/789] Update LICENSE

---
 LICENSE | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/LICENSE b/LICENSE
index 7d74b6c..694c995 100644
--- a/LICENSE
+++ b/LICENSE
@@ -1,6 +1,6 @@
 MIT License
 
-Copyright (c) James A. Fellows Yates, Sofia Stamouli, Moritz E. Beber, Lauri Mesilaakso, Thomas A. Christensen II, Jianhong Ou, Mahwash Jamy, Maxime Borry, Rafal Stepien, Tanja Normark
+Copyright (c) James A. Fellows Yates, Sofia Stamouli, Moritz E. Beber, and the nf-core/taxprofiler team
 
 Permission is hereby granted, free of charge, to any person obtaining a copy
 of this software and associated documentation files (the "Software"), to deal

From ca9c0cf8fdb6e88ca9bfe3ff6cdcd6d3426d71fe Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 4 Apr 2023 15:52:23 +0200
Subject: [PATCH 765/789] Further fixes

---
 conf/modules.config | 18 ++++++++++++------
 1 file changed, 12 insertions(+), 6 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 0e7e2ea..32024d9 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -76,7 +76,7 @@ process {
                 path: { "${params.outdir}/analysis_ready_fastqs" },
                 mode: params.publish_dir_mode,
                 pattern: '*.fastq.gz',
-                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && !params.shortread_complexityfilter_tool && params.perform_shortread_qc && params.save_analysis_ready_fastqs
+                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && !params.perform_shortread_complexityfilter && params.perform_shortread_qc && params.save_analysis_ready_fastqs
             ]
         ]
     }
@@ -109,8 +109,8 @@ process {
             [
                 path: { "${params.outdir}/analysis_ready_fastqs" },
                 mode: params.publish_dir_mode,
-                pattern: '*.fastq.gz',
-                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && !params.shortread_complexityfilter_tool && params.perform_shortread_qc && params.save_analysis_ready_fastqs
+                pattern: params.shortread_qc_mergepairs ? '*merged.fastq.gz' : '*.fastp.fastq.gz',
+                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && !params.perform_shortread_complexityfilter && params.perform_shortread_qc && params.save_analysis_ready_fastqs
             ]
         ]
     }
@@ -138,8 +138,8 @@ process {
             [
                 path: { "${params.outdir}/analysis_ready_fastqs" },
                 mode: params.publish_dir_mode,
-                pattern: '*.fastq.gz',
-                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && !params.shortread_complexityfilter_tool && params.perform_shortread_qc && params.save_analysis_ready_fastqs
+                pattern: '*truncated.fastq.gz',
+                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && !params.perform_shortread_complexityfilter && params.perform_shortread_qc && params.save_analysis_ready_fastqs
             ]
         ]
     }
@@ -166,6 +166,12 @@ process {
                 path: { "${params.outdir}/adapterremoval" },
                 mode: params.publish_dir_mode,
                 pattern: '*.settings'
+            ],
+            [
+                path: { "${params.outdir}/analysis_ready_fastqs" },
+                mode: params.publish_dir_mode,
+                pattern: '*{truncated.fastq,singleton.truncated}.gz',
+                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && !params.perform_shortread_complexityfilter && params.perform_shortread_qc && !params.shortread_qc_mergepairs && params.save_analysis_ready_fastqs
             ]
         ]
     }
@@ -178,7 +184,7 @@ process {
                 path: { "${params.outdir}/analysis_ready_fastqs" },
                 mode: params.publish_dir_mode,
                 pattern: '*.fastq.gz',
-                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && !params.shortread_complexityfilter_tool && params.perform_shortread_qc && params.save_analysis_ready_fastqs
+                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && !params.perform_shortread_complexityfilter && params.perform_shortread_qc && params.save_analysis_ready_fastqs
             ]
         ]
     }

From e5e0aab59d60ac44ac44908cfaa6eb90c71b4cef Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 4 Apr 2023 16:29:37 +0200
Subject: [PATCH 766/789] More tweaks

---
 conf/modules.config | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 32024d9..905d6f2 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -339,6 +339,7 @@ process {
                 mode: params.publish_dir_mode,
                 enabled: params.perform_shortread_hostremoval,
                 pattern: '*.fastq.gz',
+                // Don't know why `!` doesn't work here, but `== false` makes it work...
                 saveAs: { ( params.perform_runmerging == false || params.perform_runmerging && !meta.is_multirun ) && params.perform_shortread_hostremoval && params.save_analysis_ready_fastqs ? it : null }
             ]
         ]
@@ -381,9 +382,10 @@ process {
             [
                 path: { "${params.outdir}/analysis_ready_fastqs" },
                 mode: params.publish_dir_mode,
-                pattern: '*.fastq.gz',
+                pattern: '*.fq.gz',
                 enabled: params.save_analysis_ready_fastqs,
-                saveAs: { ( !params.perform_runmerging | params.perform_runmerging && !meta.is_multirun ) && params.perform_longread_hostremoval && params.save_analysis_ready_fastqs ? it : null }
+                // Don't know why `!` doesn't work here, but `== false` makes it work...
+                saveAs: { ( !params.perform_runmerging || params.perform_runmerging && !meta.is_multirun ) && params.perform_longread_hostremoval && params.save_analysis_ready_fastqs ? it : null }
             ]
         ]
     }

From c47b9e55fa85e75e39f992a8743c22db551c03c1 Mon Sep 17 00:00:00 2001
From: sofstam <sofia.stamouli@scilifelab.se>
Date: Tue, 4 Apr 2023 18:01:02 +0200
Subject: [PATCH 767/789] Mix reads in emit

---
 subworkflows/local/longread_hostremoval.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/longread_hostremoval.nf b/subworkflows/local/longread_hostremoval.nf
index ff62c30..f05e6a6 100644
--- a/subworkflows/local/longread_hostremoval.nf
+++ b/subworkflows/local/longread_hostremoval.nf
@@ -54,7 +54,7 @@ workflow LONGREAD_HOSTREMOVAL {
 
     emit:
     stats    = SAMTOOLS_STATS.out.stats     //channel: [val(meta), [reads  ] ]
-    reads    = SAMTOOLS_FASTQ.out.other   // channel: [ val(meta), [ reads ] ]
+    reads    = SAMTOOLS_FASTQ.out.fastq.mix( SAMTOOLS_FASTQ.out.other)   // channel: [ val(meta), [ reads ] ]
     versions = ch_versions                 // channel: [ versions.yml ]
     mqc      = ch_multiqc_files
 }

From 94e88d788da1979d7b59562b79de671422797854 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Tue, 4 Apr 2023 18:36:37 +0200
Subject: [PATCH 768/789] Everywhere account when no-runmerging for single libs

---
 conf/modules.config | 41 ++++++++++++++++++++++-------------------
 1 file changed, 22 insertions(+), 19 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 905d6f2..1d9a890 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -76,7 +76,9 @@ process {
                 path: { "${params.outdir}/analysis_ready_fastqs" },
                 mode: params.publish_dir_mode,
                 pattern: '*.fastq.gz',
-                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && !params.perform_shortread_complexityfilter && params.perform_shortread_qc && params.save_analysis_ready_fastqs
+                enabled: params.save_analysis_ready_fastqs,
+                // Don't know why `!` doesn't work here, but `== false` makes it work...
+                saveAs: { ( params.perform_runmerging == false || params.perform_runmerging && !meta.is_multirun ) && !params.perform_shortread_hostremoval && !params.perform_shortread_complexityfilter && params.perform_shortread_qc && params.save_analysis_ready_fastqs ? it : null }
             ]
         ]
     }
@@ -110,7 +112,8 @@ process {
                 path: { "${params.outdir}/analysis_ready_fastqs" },
                 mode: params.publish_dir_mode,
                 pattern: params.shortread_qc_mergepairs ? '*merged.fastq.gz' : '*.fastp.fastq.gz',
-                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && !params.perform_shortread_complexityfilter && params.perform_shortread_qc && params.save_analysis_ready_fastqs
+                enabled: params.save_analysis_ready_fastqs,
+                saveAs:  { ( params.perform_runmerging == false || params.perform_runmerging && !meta.is_multirun ) && !params.perform_shortread_hostremoval && !params.perform_shortread_complexityfilter && params.perform_shortread_qc && params.save_analysis_ready_fastqs ? it : null }
             ]
         ]
     }
@@ -139,7 +142,8 @@ process {
                 path: { "${params.outdir}/analysis_ready_fastqs" },
                 mode: params.publish_dir_mode,
                 pattern: '*truncated.fastq.gz',
-                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && !params.perform_shortread_complexityfilter && params.perform_shortread_qc && params.save_analysis_ready_fastqs
+                enabled: params.save_analysis_ready_fastqs,
+                saveAs: { ( params.perform_runmerging == false || params.perform_runmerging && !meta.is_multirun ) && !params.perform_shortread_hostremoval && !params.perform_shortread_complexityfilter && params.perform_shortread_qc && params.save_analysis_ready_fastqs ? it : null }
             ]
         ]
     }
@@ -171,7 +175,8 @@ process {
                 path: { "${params.outdir}/analysis_ready_fastqs" },
                 mode: params.publish_dir_mode,
                 pattern: '*{truncated.fastq,singleton.truncated}.gz',
-                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && !params.perform_shortread_complexityfilter && params.perform_shortread_qc && !params.shortread_qc_mergepairs && params.save_analysis_ready_fastqs
+                enabled: params.save_analysis_ready_fastqs,
+                saveAs: { ( params.perform_runmerging == false || params.perform_runmerging && !meta.is_multirun ) && !params.perform_shortread_hostremoval && !params.perform_shortread_complexityfilter && params.perform_shortread_qc && !params.shortread_qc_mergepairs && params.save_analysis_ready_fastqs ? it : null}
             ]
         ]
     }
@@ -184,7 +189,8 @@ process {
                 path: { "${params.outdir}/analysis_ready_fastqs" },
                 mode: params.publish_dir_mode,
                 pattern: '*.fastq.gz',
-                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && !params.perform_shortread_complexityfilter && params.perform_shortread_qc && params.save_analysis_ready_fastqs
+                enabled: params.save_analysis_ready_fastqs,
+                saveAs: { ( params.perform_runmerging == false || params.perform_runmerging && !meta.is_multirun ) && !params.perform_shortread_hostremoval && !params.perform_shortread_complexityfilter && params.perform_shortread_qc && params.save_analysis_ready_fastqs ? it : null }
             ]
         ]
     }
@@ -207,7 +213,8 @@ process {
                 path: { "${params.outdir}/analysis_ready_fastqs" },
                 mode: params.publish_dir_mode,
                 pattern: '*_porechopped.fastq.gz',
-                enabled: !params.perform_runmerging && !params.perform_longread_hostremoval && params.longread_qc_skipqualityfilter && !params.longread_qc_skipadaptertrim && params.perform_longread_qc && params.save_analysis_ready_fastqs
+                enabled: params.save_analysis_ready_fastqs,
+                saveAs: { ( params.perform_runmerging == false || params.perform_runmerging && !meta.is_multirun ) && !params.perform_longread_hostremoval && params.longread_qc_skipqualityfilter && !params.longread_qc_skipadaptertrim && params.perform_longread_qc && params.save_analysis_ready_fastqs ? it : null }
             ]
         ]
     }
@@ -236,7 +243,8 @@ process {
                 path: { "${params.outdir}/analysis_ready_fastqs" },
                 mode: params.publish_dir_mode,
                 pattern: '*.fastq.gz',
-                enabled: !params.perform_runmerging && !params.perform_longread_hostremoval && !params.longread_qc_skipqualityfilter && params.perform_longread_qc && params.save_analysis_ready_fastqs
+                enabled: params.save_analysis_ready_fastqs,
+                saveAs: { ( params.perform_runmerging == false || params.perform_runmerging && !meta.is_multirun ) && !params.perform_longread_hostremoval && !params.longread_qc_skipqualityfilter && params.perform_longread_qc && params.save_analysis_ready_fastqs ? it : null }
             ]
         ]
     }
@@ -252,7 +260,7 @@ process {
             [
                 path: { "${params.outdir}/bbduk/" },
                 mode: params.publish_dir_mode,
-                pattern: '*.{fastq.gz,log}',
+                pattern: '*.{fastq.gz}',
                 enabled: params.save_complexityfiltered_reads
             ],
             [
@@ -264,7 +272,8 @@ process {
                 path: { "${params.outdir}/analysis_ready_fastqs" },
                 mode: params.publish_dir_mode,
                 pattern: '*.fastq.gz',
-                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && params.shortread_complexityfilter_tool && params.save_analysis_ready_fastqs
+                enabled: params.save_analysis_ready_fastqs,
+                saveAs: { ( params.perform_runmerging == false || params.perform_runmerging && !meta.is_multirun ) && !params.perform_shortread_hostremoval && params.shortread_complexityfilter_tool && params.save_analysis_ready_fastqs ? it : null }
             ]
         ]
     }
@@ -290,8 +299,9 @@ process {
             [
                 path: { "${params.outdir}/analysis_ready_fastqs" },
                 mode: params.publish_dir_mode,
-                pattern: '*.fastq.gz',
-                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && params.shortread_complexityfilter_tool && params.save_analysis_ready_fastqs
+                pattern: '*{_good_out.fastq.gz,_good_out_R1.fastq.gz,_good_out_R2.fastq.gz}',
+                enabled: params.save_analysis_ready_fastqs,
+                saveAs: { ( params.perform_runmerging == false || params.perform_runmerging && !meta.is_multirun ) && !params.perform_shortread_hostremoval && params.shortread_complexityfilter_tool && params.save_analysis_ready_fastqs ? it : null }
             ]
         ]
     }
@@ -303,12 +313,6 @@ process {
             mode: params.publish_dir_mode,
             pattern: 'bowtie2',
             enabled: params.save_hostremoval_index
-            ],
-            [
-                path: { "${params.outdir}/analysis_ready_fastqs" },
-                mode: params.publish_dir_mode,
-                pattern: '*.fastq.gz',
-                enabled: !params.perform_runmerging && !params.perform_shortread_hostremoval && !params.shortread_complexityfilter_tool && !params.perform_shortread_qc && params.save_analysis_ready_fastqs
             ]
         ]
     }
@@ -339,7 +343,7 @@ process {
                 mode: params.publish_dir_mode,
                 enabled: params.perform_shortread_hostremoval,
                 pattern: '*.fastq.gz',
-                // Don't know why `!` doesn't work here, but `== false` makes it work...
+                enabled: params.save_analysis_ready_fastqs,
                 saveAs: { ( params.perform_runmerging == false || params.perform_runmerging && !meta.is_multirun ) && params.perform_shortread_hostremoval && params.save_analysis_ready_fastqs ? it : null }
             ]
         ]
@@ -384,7 +388,6 @@ process {
                 mode: params.publish_dir_mode,
                 pattern: '*.fq.gz',
                 enabled: params.save_analysis_ready_fastqs,
-                // Don't know why `!` doesn't work here, but `== false` makes it work...
                 saveAs: { ( !params.perform_runmerging || params.perform_runmerging && !meta.is_multirun ) && params.perform_longread_hostremoval && params.save_analysis_ready_fastqs ? it : null }
             ]
         ]

From ce97a1124e69e62068b7a2495bf5cb6461100f1e Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sat, 15 Apr 2023 12:48:52 +0200
Subject: [PATCH 769/789] Add final documentation

---
 CHANGELOG.md         |  2 ++
 docs/output.md       | 33 +++++++++++++++++++++++++--------
 docs/usage.md        |  2 ++
 nextflow_schema.json |  6 ++++++
 4 files changed, 35 insertions(+), 8 deletions(-)

diff --git a/CHANGELOG.md b/CHANGELOG.md
index 0bfa518..bab11f4 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -7,6 +7,8 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 
 ### `Added`
 
+- [#272](https://github.com/nf-core/taxprofiler/pull/272) - Add saving of final 'analysis-ready-reads' to dedicated directory. (❤️ to @alexhbnr for reporting, added by @jfy133)
+
 ### `Fixed`
 
 ### `Dependencies`
diff --git a/docs/output.md b/docs/output.md
index 3936344..741a23c 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -22,6 +22,7 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d
 - [minimap2](#minimap2) - Host removal for Nanopore reads
 - [SAMtools stats](#samtools-stats) - Statistics from host removal
 - [SAMtools bam2fq](#samtools-bam2fq) - Converts unmapped BAM file to fastq format (minimap2 only)
+- [Analysis Ready Reads](#analysis-read-reads) - Optional results directory containing the final processed reads used as input for classification/profiling.
 - [Bracken](#bracken) - Taxonomic classifier using k-mers and abundance estimations
 - [Kraken2](#kraken2) - Taxonomic classifier using exact k-mer matches
 - [KrakenUniq](#krakenuniq) - Taxonomic classifier that combines the k-mer-based classification and the number of unique k-mers found in each species
@@ -102,7 +103,7 @@ You can change the default value for low complexity filtering by using the argum
 
 By default nf-core/taxprofiler will only provide the `.settings` file if AdapterRemoval is selected.
 
-You will only find the `.fastq` files in the results directory if you provide ` --save_preprocessed_reads`. If this is selected, you may receive different combinations of `.fastq` files for each sample depending on the input types - e.g. whether you have merged or not, or if you're supplying both single- and paired-end reads. Alternatively, if you wish only to have the 'final' reads that go into classification/profiling (i.e., that may have additional processing), do not specify this flag but rather specify `--save_analysis_ready_reads`, in which case the reads will be in the folder `analysis_ready_reads`
+You will only find the `.fastq` files in the results directory if you provide ` --save_preprocessed_reads`. If this is selected, you may receive different combinations of `.fastq` files for each sample depending on the input types - e.g. whether you have merged or not, or if you're supplying both single- and paired-end reads. Alternatively, if you wish only to have the 'final' reads that go into classification/profiling (i.e., that may have additional processing), do not specify this flag but rather specify `--save_analysis_ready_reads`, in which case the reads will be in the folder `analysis_ready_reads`.
 
 > ⚠️ The resulting `.fastq` files may _not_ always be the 'final' reads that go into taxprofiling, if you also run other steps such as complexity filtering, host removal, run merging etc..
 
@@ -121,7 +122,7 @@ You will only find the `.fastq` files in the results directory if you provide `
 
 The output logs are saved in the output folder and are part of MultiQC report.You do not normally need to check these manually.
 
-You will only find the `.fastq` files in the results directory if you provide ` --save_preprocessed_reads`. Alternatively, if you wish only to have the 'final' reads that go into classification/profiling (i.e., that may have additional processing), do not specify this flag but rather specify `--save_analysis_ready_reads`, in which case the reads will be in the folder `analysis_ready_reads`
+You will only find the `.fastq` files in the results directory if you provide ` --save_preprocessed_reads`. Alternatively, if you wish only to have the 'final' reads that go into classification/profiling (i.e., that may have additional processing), do not specify this flag but rather specify `--save_analysis_ready_reads`, in which case the reads will be in the folder `analysis_ready_reads`.
 
 > ⚠️ We do **not** recommend using Porechop if you are already trimming the adapters with ONT's basecaller Guppy.
 
@@ -140,7 +141,7 @@ It is used in nf-core/taxprofiler for complexity filtering using different algor
 
 </details>
 
-By default nf-core/taxprofiler will only provide the `.log` file if BBDuk is selected as the complexity filtering tool. You will only find the complexity filtered reads in your results directory if you provide ` --save_complexityfiltered_reads`. Alternatively, if you wish only to have the 'final' reads that go into classification/profiling (i.e., that may have additional processing), do not specify this flag but rather specify `--save_analysis_ready_reads`, in which case the reads will be in the folder `analysis_ready_reads`
+By default nf-core/taxprofiler will only provide the `.log` file if BBDuk is selected as the complexity filtering tool. You will only find the complexity filtered reads in your results directory if you provide ` --save_complexityfiltered_reads`. Alternatively, if you wish only to have the 'final' reads that go into classification/profiling (i.e., that may have additional processing), do not specify this flag but rather specify `--save_analysis_ready_reads`, in which case the reads will be in the folder `analysis_ready_reads`.
 
 > ⚠️ The resulting `.fastq` files may _not_ always be the 'final' reads that go into taxprofiling, if you also run other steps such as host removal, run merging etc..
 
@@ -159,7 +160,7 @@ It is used in nf-core/taxprofiler for complexity filtering using different algor
 
 </details>
 
-By default nf-core/taxprofiler will only provide the `.log` file if PRINSEQ++ is selected as the complexity filtering tool. You will only find the complexity filtered `.fastq` files in your results directory if you supply ` --save_complexityfiltered_reads`. Alternatively, if you wish only to have the 'final' reads that go into classification/profiling (i.e., that may have additional processing), do not specify this flag but rather specify `--save_analysis_ready_reads`, in which case the reads will be in the folder `analysis_ready_reads`
+By default nf-core/taxprofiler will only provide the `.log` file if PRINSEQ++ is selected as the complexity filtering tool. You will only find the complexity filtered `.fastq` files in your results directory if you supply ` --save_complexityfiltered_reads`. Alternatively, if you wish only to have the 'final' reads that go into classification/profiling (i.e., that may have additional processing), do not specify this flag but rather specify `--save_analysis_ready_reads`, in which case the reads will be in the folder `analysis_ready_reads`.
 
 > ⚠️ The resulting `.fastq` files may _not_ always be the 'final' reads that go into taxprofiling, if you also run other steps such as host removal, run merging etc..
 
@@ -176,7 +177,7 @@ By default nf-core/taxprofiler will only provide the `.log` file if PRINSEQ++ is
 
 </details>
 
-You will only find the `.fastq` files in the results directory if you provide ` --save_preprocessed_reads`. Alternatively, if you wish only to have the 'final' reads that go into classification/profiling (i.e., that may have additional processing), do not specify this flag but rather specify `--save_analysis_ready_reads`, in which case the reads will be in the folder `analysis_ready_reads`
+You will only find the `.fastq` files in the results directory if you provide ` --save_preprocessed_reads`. Alternatively, if you wish only to have the 'final' reads that go into classification/profiling (i.e., that may have additional processing), do not specify this flag but rather specify `--save_analysis_ready_reads`, in which case the reads will be in the folder `analysis_ready_reads`.
 
 > ⚠️ We do **not** recommend using Filtlong if you are performing filtering of low quality reads with ONT's basecaller Guppy.
 
@@ -199,7 +200,7 @@ It is used with nf-core/taxprofiler to allow removal of 'host' (e.g. human) and/
 
 </details>
 
-By default nf-core/taxprofiler will only provide the `.log` file if host removal is turned on. You will only have a `.bam` file if you specify `--save_hostremoval_bam`. This will contain _both_ mapped and unmapped reads. You will only get FASTQ files if you specify to save `--save_hostremoval_unmapped` - these contain only unmapped reads. Alternatively, if you wish only to have the 'final' reads that go into classification/profiling (i.e., that may have additional processing), do not specify this flag but rather specify `--save_analysis_ready_reads`, in which case the reads will be in the folder `analysis_ready_reads`
+By default nf-core/taxprofiler will only provide the `.log` file if host removal is turned on. You will only have a `.bam` file if you specify `--save_hostremoval_bam`. This will contain _both_ mapped and unmapped reads. You will only get FASTQ files if you specify to save `--save_hostremoval_unmapped` - these contain only unmapped reads. Alternatively, if you wish only to have the 'final' reads that go into classification/profiling (i.e., that may have additional processing), do not specify this flag but rather specify `--save_analysis_ready_reads`, in which case the reads will be in the folder `analysis_ready_reads`.
 
 > ℹ️ Unmapped reads in FASTQ are only found in this directory for short-reads, for long-reads see [`samtools/bam2fq/`](#samtools-bam2fq)
 
@@ -242,10 +243,26 @@ By default, nf-core/taxprofiler will only provide the `.bam` file containing map
 
 </details>
 
-This directory will be present and contain the unmapped reads from the `.fastq` format from long-read minimap2 host removal, if `--save_hostremoval_unmapped` is supplied. Alternatively, if you wish only to have the 'final' reads that go into classification/profiling (i.e., that may have additional processing), do not specify this flag but rather specify `--save_analysis_ready_reads`, in which case the reads will be in the folder `analysis_ready_reads`
+This directory will be present and contain the unmapped reads from the `.fastq` format from long-read minimap2 host removal, if `--save_hostremoval_unmapped` is supplied. Alternatively, if you wish only to have the 'final' reads that go into classification/profiling (i.e., that may have additional processing), do not specify this flag but rather specify `--save_analysis_ready_reads`, in which case the reads will be in the folder `analysis_ready_reads`.
 
 > ℹ️ For short-read unmapped reads, see [bowtie2](#bowtie2).
 
+### Analysis Ready Reads
+
+> ℹ️ This optional results directory will only be present in the pipeline results when supplying `--save_analysis_ready_reads`.
+
+<details markdown="1">
+<summary>Output files</summary>
+
+- `samtoolsstats`
+  - `<sample_id>_{fq,fastq}.gz`: Final reads that underwent preprocessing that were sent for classification/profiling.
+
+</details>
+
+The results directory will contain the 'final' processed reads used as input for classification/profiling. It will _only_ include the output of the _last step of any combinations of preprocessing steps that may have been specified in the run configuration. For example, if you perform the read QC and host-removal preprocessing steps, the final reads that are sent to classification/profiling are the host-removed FASTQ files - this will be the ones present in this directory.
+
+> ⚠️ If you turn off all preprocessing steps, then no results will be present in this directory. This happens independtly for short- and long-reads. I.e. you will only have FASTQ files for short reads in this directory if you skip all long-read preprocessing.
+
 ### SAMtools stats
 
 [SAMtools stats](http://www.htslib.org/doc/samtools-stats.html) collects statistics from a `.sam`, `.bam`, or `.cram` alignment file and outputs in a text format.
@@ -277,7 +294,7 @@ This is the last possible preprocessing step, so if you have multiple runs or li
 
 Note that you will only find samples that went through the run merging step in this directory. For samples that had a single run or library will not go through this step of the pipeline and thus will not be present in this directory.
 
-This directory and it's FASTQ files will only be present if you supply `--save_runmerged_reads`.Alternatively, if you wish only to have the 'final' reads that go into classification/profiling (i.e., that may have additional processing), do not specify this flag but rather specify `--save_analysis_ready_reads`, in which case the reads will be in the folder `analysis_ready_reads`
+This directory and it's FASTQ files will only be present if you supply `--save_runmerged_reads`.Alternatively, if you wish only to have the 'final' reads that go into classification/profiling (i.e., that may have additional processing), do not specify this flag but rather specify `--save_analysis_ready_reads`, in which case the reads will be in the folder `analysis_ready_reads`.
 
 ### Bracken
 
diff --git a/docs/usage.md b/docs/usage.md
index a38931e..4d584d9 100644
--- a/docs/usage.md
+++ b/docs/usage.md
@@ -168,6 +168,8 @@ nf-core/taxprofiler offers four main preprocessing steps for preprocessing raw s
 - [**Host read-removal**](#host-read-removal): removal of reads aligning to reference genome(s) of a host.
 - [**Run merging**](#run-merging): concatenation of multiple FASTQ chunks/sequencing runs/libraries of a sample.
 
+> ℹ️ You can save the 'final' reads used for classification/profiling from any combination of these steps with `--save_analysis_ready_reads`.
+
 #### Read Processing
 
 Raw sequencing read processing in the form of adapter clipping and paired-end read merging can be activated via the `--perform_shortread_qc` or `--perform_longread_qc` flags.
diff --git a/nextflow_schema.json b/nextflow_schema.json
index c13fdbc..14bdfd6 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -69,6 +69,12 @@
                     "fa_icon": "fas fa-save",
                     "description": "Save reads from samples that went through the adapter clipping, pair-merging, and length filtering steps for both short and long reads",
                     "help_text": "This saves the FASTQ output from the following tools:\n\n- fastp\n- AdapterRemoval\n- Porechop\n- Filtlong\n\nThese reads will be a mixture of: adapter clipped, quality trimmed, pair-merged, and length filtered, depending on the parameters you set."
+                },
+                "save_analysis_ready_fastqs": {
+                    "type": "boolean",
+                    "fa_icon": "fas fa-save",
+                    "description": "Save only the final reads from all read processing steps (that are sent to classification/profiling) in results directory.",
+                    "help_text": "This flag will generate the directory `results/analysis_read_reads` that contains the reads from the last preprocessing (QC, host removal, run merging etc.) step of the pipeline run. \n\nThis can be useful if you wish to re-use the final cleaned-up and prepared reads - the data actually used for the actual classification/profiling steps of the pipeline - for other analyses or purposes (e.g., to reduce redundant preprocessing between different pipelines, e.g. [nf-core/mag](https://nf-co.re/mag)).\n\nIn most cases this will be preferred over similar parameters e.g. ` --save_preprocessed_reads` or ` --save_complexityfiltered_reads`, unless you wish to explore in more detail the output of each specific preprocessing step independently.\n\nNote if you do no preprocessing of any kind, nothing will be present in this directory. "
                 }
             },
             "fa_icon": "fas fa-users-cog"

From 3f34603c00da28553c074e8ce086d245257ed641 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Sat, 15 Apr 2023 12:54:07 +0200
Subject: [PATCH 770/789] Prettier

---
 docs/output.md | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/docs/output.md b/docs/output.md
index 741a23c..b7c7490 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -259,7 +259,7 @@ This directory will be present and contain the unmapped reads from the `.fastq`
 
 </details>
 
-The results directory will contain the 'final' processed reads used as input for classification/profiling. It will _only_ include the output of the _last step of any combinations of preprocessing steps that may have been specified in the run configuration. For example, if you perform the read QC and host-removal preprocessing steps, the final reads that are sent to classification/profiling are the host-removed FASTQ files - this will be the ones present in this directory.
+The results directory will contain the 'final' processed reads used as input for classification/profiling. It will _only_ include the output of the \_last step of any combinations of preprocessing steps that may have been specified in the run configuration. For example, if you perform the read QC and host-removal preprocessing steps, the final reads that are sent to classification/profiling are the host-removed FASTQ files - this will be the ones present in this directory.
 
 > ⚠️ If you turn off all preprocessing steps, then no results will be present in this directory. This happens independtly for short- and long-reads. I.e. you will only have FASTQ files for short reads in this directory if you skip all long-read preprocessing.
 
@@ -291,7 +291,6 @@ This is the last possible preprocessing step, so if you have multiple runs or li
 
 </details>
 
-
 Note that you will only find samples that went through the run merging step in this directory. For samples that had a single run or library will not go through this step of the pipeline and thus will not be present in this directory.
 
 This directory and it's FASTQ files will only be present if you supply `--save_runmerged_reads`.Alternatively, if you wish only to have the 'final' reads that go into classification/profiling (i.e., that may have additional processing), do not specify this flag but rather specify `--save_analysis_ready_reads`, in which case the reads will be in the folder `analysis_ready_reads`.

From ee031ebf9197a3e6b572d96b965c45cc614ecd1a Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Thu, 20 Apr 2023 12:58:23 +0200
Subject: [PATCH 771/789] Apply suggestions from code review

Co-authored-by: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
---
 docs/output.md | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/docs/output.md b/docs/output.md
index b7c7490..c562527 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -255,13 +255,13 @@ This directory will be present and contain the unmapped reads from the `.fastq`
 <summary>Output files</summary>
 
 - `samtoolsstats`
-  - `<sample_id>_{fq,fastq}.gz`: Final reads that underwent preprocessing that were sent for classification/profiling.
+  - `<sample_id>_{fq,fastq}.gz`: Final reads that underwent preprocessing and were sent for classification/profiling.
 
 </details>
 
-The results directory will contain the 'final' processed reads used as input for classification/profiling. It will _only_ include the output of the \_last step of any combinations of preprocessing steps that may have been specified in the run configuration. For example, if you perform the read QC and host-removal preprocessing steps, the final reads that are sent to classification/profiling are the host-removed FASTQ files - this will be the ones present in this directory.
+The results directory will contain the 'final' processed reads used as input for classification/profiling. It will _only_ include the output of the \_last step of any combinations of preprocessing steps that may have been specified in the run configuration. For example, if you perform the read QC and host-removal preprocessing steps, the final reads that are sent to classification/profiling are the host-removed FASTQ files - those will be the ones present in this directory.
 
-> ⚠️ If you turn off all preprocessing steps, then no results will be present in this directory. This happens independtly for short- and long-reads. I.e. you will only have FASTQ files for short reads in this directory if you skip all long-read preprocessing.
+> ⚠️ If you turn off all preprocessing steps, then no results will be present in this directory. This happens independently for short- and long-reads. I.e. you will only have FASTQ files for short reads in this directory if you skip all long-read preprocessing.
 
 ### SAMtools stats
 
@@ -293,7 +293,7 @@ This is the last possible preprocessing step, so if you have multiple runs or li
 
 Note that you will only find samples that went through the run merging step in this directory. For samples that had a single run or library will not go through this step of the pipeline and thus will not be present in this directory.
 
-This directory and it's FASTQ files will only be present if you supply `--save_runmerged_reads`.Alternatively, if you wish only to have the 'final' reads that go into classification/profiling (i.e., that may have additional processing), do not specify this flag but rather specify `--save_analysis_ready_reads`, in which case the reads will be in the folder `analysis_ready_reads`.
+This directory and its FASTQ files will only be present if you supply `--save_runmerged_reads`.Alternatively, if you wish only to have the 'final' reads that go into classification/profiling (i.e., that may have additional processing), do not specify this flag but rather specify `--save_analysis_ready_reads`, in which case the reads will be in the folder `analysis_ready_reads`.
 
 ### Bracken
 

From 105bac7bb9882561e2fc96db7b02a7ca3e06640b Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Thu, 20 Apr 2023 12:59:33 +0200
Subject: [PATCH 772/789] Apply suggestions from code review

---
 docs/output.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/output.md b/docs/output.md
index c562527..0fde197 100644
--- a/docs/output.md
+++ b/docs/output.md
@@ -259,7 +259,7 @@ This directory will be present and contain the unmapped reads from the `.fastq`
 
 </details>
 
-The results directory will contain the 'final' processed reads used as input for classification/profiling. It will _only_ include the output of the \_last step of any combinations of preprocessing steps that may have been specified in the run configuration. For example, if you perform the read QC and host-removal preprocessing steps, the final reads that are sent to classification/profiling are the host-removed FASTQ files - those will be the ones present in this directory.
+The results directory will contain the 'final' processed reads used as input for classification/profiling. It will _only_ include the output of the _last_ step of any combinations of preprocessing steps that may have been specified in the run configuration. For example, if you perform the read QC and host-removal preprocessing steps, the final reads that are sent to classification/profiling are the host-removed FASTQ files - those will be the ones present in this directory.
 
 > ⚠️ If you turn off all preprocessing steps, then no results will be present in this directory. This happens independently for short- and long-reads. I.e. you will only have FASTQ files for short reads in this directory if you skip all long-read preprocessing.
 

From 5d90c775e9baeaef3325126d3a1a531eee42f214 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 20 Apr 2023 14:57:51 +0200
Subject: [PATCH 773/789] Logic safety!

---
 conf/modules.config | 20 ++++++++++----------
 1 file changed, 10 insertions(+), 10 deletions(-)

diff --git a/conf/modules.config b/conf/modules.config
index 6c5f227..c3cb136 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -78,7 +78,7 @@ process {
                 pattern: '*.fastq.gz',
                 enabled: params.save_analysis_ready_fastqs,
                 // Don't know why `!` doesn't work here, but `== false` makes it work...
-                saveAs: { ( params.perform_runmerging == false || params.perform_runmerging && !meta.is_multirun ) && !params.perform_shortread_hostremoval && !params.perform_shortread_complexityfilter && params.perform_shortread_qc && params.save_analysis_ready_fastqs ? it : null }
+                saveAs: { ( params.perform_runmerging == false || ( params.perform_runmerging && !meta.is_multirun ) ) && !params.perform_shortread_hostremoval && !params.perform_shortread_complexityfilter && params.perform_shortread_qc && params.save_analysis_ready_fastqs ? it : null }
             ]
         ]
     }
@@ -113,7 +113,7 @@ process {
                 mode: params.publish_dir_mode,
                 pattern: params.shortread_qc_mergepairs ? '*merged.fastq.gz' : '*.fastp.fastq.gz',
                 enabled: params.save_analysis_ready_fastqs,
-                saveAs:  { ( params.perform_runmerging == false || params.perform_runmerging && !meta.is_multirun ) && !params.perform_shortread_hostremoval && !params.perform_shortread_complexityfilter && params.perform_shortread_qc && params.save_analysis_ready_fastqs ? it : null }
+                saveAs:  { ( params.perform_runmerging == false || ( params.perform_runmerging && !meta.is_multirun ) ) && !params.perform_shortread_hostremoval && !params.perform_shortread_complexityfilter && params.perform_shortread_qc && params.save_analysis_ready_fastqs ? it : null }
             ]
         ]
     }
@@ -143,7 +143,7 @@ process {
                 mode: params.publish_dir_mode,
                 pattern: '*truncated.fastq.gz',
                 enabled: params.save_analysis_ready_fastqs,
-                saveAs: { ( params.perform_runmerging == false || params.perform_runmerging && !meta.is_multirun ) && !params.perform_shortread_hostremoval && !params.perform_shortread_complexityfilter && params.perform_shortread_qc && params.save_analysis_ready_fastqs ? it : null }
+                saveAs: { ( params.perform_runmerging == false || ( params.perform_runmerging && !meta.is_multirun ) ) && !params.perform_shortread_hostremoval && !params.perform_shortread_complexityfilter && params.perform_shortread_qc && params.save_analysis_ready_fastqs ? it : null }
             ]
         ]
     }
@@ -176,7 +176,7 @@ process {
                 mode: params.publish_dir_mode,
                 pattern: '*{truncated.fastq,singleton.truncated}.gz',
                 enabled: params.save_analysis_ready_fastqs,
-                saveAs: { ( params.perform_runmerging == false || params.perform_runmerging && !meta.is_multirun ) && !params.perform_shortread_hostremoval && !params.perform_shortread_complexityfilter && params.perform_shortread_qc && !params.shortread_qc_mergepairs && params.save_analysis_ready_fastqs ? it : null}
+                saveAs: { ( params.perform_runmerging == false || ( params.perform_runmerging && !meta.is_multirun ) ) && !params.perform_shortread_hostremoval && !params.perform_shortread_complexityfilter && params.perform_shortread_qc && !params.shortread_qc_mergepairs && params.save_analysis_ready_fastqs ? it : null}
             ]
         ]
     }
@@ -190,7 +190,7 @@ process {
                 mode: params.publish_dir_mode,
                 pattern: '*.fastq.gz',
                 enabled: params.save_analysis_ready_fastqs,
-                saveAs: { ( params.perform_runmerging == false || params.perform_runmerging && !meta.is_multirun ) && !params.perform_shortread_hostremoval && !params.perform_shortread_complexityfilter && params.perform_shortread_qc && params.save_analysis_ready_fastqs ? it : null }
+                saveAs: { ( params.perform_runmerging == false || ( params.perform_runmerging && !meta.is_multirun ) ) && !params.perform_shortread_hostremoval && !params.perform_shortread_complexityfilter && params.perform_shortread_qc && params.save_analysis_ready_fastqs ? it : null }
             ]
         ]
     }
@@ -214,7 +214,7 @@ process {
                 mode: params.publish_dir_mode,
                 pattern: '*_porechopped.fastq.gz',
                 enabled: params.save_analysis_ready_fastqs,
-                saveAs: { ( params.perform_runmerging == false || params.perform_runmerging && !meta.is_multirun ) && !params.perform_longread_hostremoval && params.longread_qc_skipqualityfilter && !params.longread_qc_skipadaptertrim && params.perform_longread_qc && params.save_analysis_ready_fastqs ? it : null }
+                saveAs: { ( params.perform_runmerging == false || ( params.perform_runmerging && !meta.is_multirun ) ) && !params.perform_longread_hostremoval && params.longread_qc_skipqualityfilter && !params.longread_qc_skipadaptertrim && params.perform_longread_qc && params.save_analysis_ready_fastqs ? it : null }
             ]
         ]
     }
@@ -244,7 +244,7 @@ process {
                 mode: params.publish_dir_mode,
                 pattern: '*.fastq.gz',
                 enabled: params.save_analysis_ready_fastqs,
-                saveAs: { ( params.perform_runmerging == false || params.perform_runmerging && !meta.is_multirun ) && !params.perform_longread_hostremoval && !params.longread_qc_skipqualityfilter && params.perform_longread_qc && params.save_analysis_ready_fastqs ? it : null }
+                saveAs: { ( params.perform_runmerging == false || ( params.perform_runmerging && !meta.is_multirun ) ) && !params.perform_longread_hostremoval && !params.longread_qc_skipqualityfilter && params.perform_longread_qc && params.save_analysis_ready_fastqs ? it : null }
             ]
         ]
     }
@@ -273,7 +273,7 @@ process {
                 mode: params.publish_dir_mode,
                 pattern: '*.fastq.gz',
                 enabled: params.save_analysis_ready_fastqs,
-                saveAs: { ( params.perform_runmerging == false || params.perform_runmerging && !meta.is_multirun ) && !params.perform_shortread_hostremoval && params.shortread_complexityfilter_tool && params.save_analysis_ready_fastqs ? it : null }
+                saveAs: { ( params.perform_runmerging == false || ( params.perform_runmerging && !meta.is_multirun ) ) && !params.perform_shortread_hostremoval && params.shortread_complexityfilter_tool && params.save_analysis_ready_fastqs ? it : null }
             ]
         ]
     }
@@ -301,7 +301,7 @@ process {
                 mode: params.publish_dir_mode,
                 pattern: '*{_good_out.fastq.gz,_good_out_R1.fastq.gz,_good_out_R2.fastq.gz}',
                 enabled: params.save_analysis_ready_fastqs,
-                saveAs: { ( params.perform_runmerging == false || params.perform_runmerging && !meta.is_multirun ) && !params.perform_shortread_hostremoval && params.shortread_complexityfilter_tool && params.save_analysis_ready_fastqs ? it : null }
+                saveAs: { ( params.perform_runmerging == false || ( params.perform_runmerging && !meta.is_multirun ) ) && !params.perform_shortread_hostremoval && params.shortread_complexityfilter_tool && params.save_analysis_ready_fastqs ? it : null }
             ]
         ]
     }
@@ -344,7 +344,7 @@ process {
                 enabled: params.perform_shortread_hostremoval,
                 pattern: '*.fastq.gz',
                 enabled: params.save_analysis_ready_fastqs,
-                saveAs: { ( params.perform_runmerging == false || params.perform_runmerging && !meta.is_multirun ) && params.perform_shortread_hostremoval && params.save_analysis_ready_fastqs ? it : null }
+                saveAs: { ( params.perform_runmerging == false || ( params.perform_runmerging && !meta.is_multirun ) ) && params.perform_shortread_hostremoval && params.save_analysis_ready_fastqs ? it : null }
             ]
         ]
     }

From f476b49d29dd312cfa6d5b6e14f8008d6c0b2a3c Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Thu, 20 Apr 2023 15:05:49 +0200
Subject: [PATCH 774/789] Add team sectionb

---
 README.md | 20 +++++++++++++++++---
 1 file changed, 17 insertions(+), 3 deletions(-)

diff --git a/README.md b/README.md
index ba08835..d46c8e1 100644
--- a/README.md
+++ b/README.md
@@ -80,15 +80,29 @@ The nf-core/taxprofiler pipeline comes with documentation about the pipeline [us
 nf-core/taxprofiler was originally written by [James A. Fellows Yates](https://github.com/jfy133), [Moritz Beber](https://github.com/Midnighter), and [Sofia Stamouli](https://github.com/sofsam).
 
 We thank the following people for their contributions to the development of this pipeline:
+ 
+### Team
 
-[Lauri Mesilaakso](https://github.com/ljmesi), [Tanja Normark](https://github.com/talnor), [Maxime Borry](https://github.com/maxibor),[Thomas A. Christensen II](https://github.com/MillironX), [Jianhong Ou](https://github.com/jianhong), [Rafal Stepien](https://github.com/rafalstepien), [Mahwash Jamy](https://github.com/mjamy), and the [nf-core/community](https://nf-co.re/community).
+- [Lauri Mesilaakso](https://github.com/ljmesi)
+- [Tanja Normark](https://github.com/talnor)
+- [Maxime Borry](https://github.com/maxibor)
+- [Thomas A. Christensen II](https://github.com/MillironX)
+- [Jianhong Ou](https://github.com/jianhong)
+- [Rafal Stepien](https://github.com/rafalstepien)
+- [Mahwash Jamy](https://github.com/mjamy).
+
+### Acknowledgments
 
 We also are grateful for the feedback and comments from:
 
+- The general [nf-core/community](https://nf-co.re/community)
+
+And specifically to
+
 - [Alex Hübner](https://github.com/alexhbnr)
-- [LilyAnderssonLee](https://github.com/LilyAnderssonLee)
+- [Lily Andersson Lee](https://github.com/LilyAnderssonLee)
 
-Credit and thanks also goes to [Zandra Fagernäs](https://github.com/ZandraFagernas) for the logo.
+❤️ also goes to [Zandra Fagernäs](https://github.com/ZandraFagernas) for the logo.
 
 ## Contributions and Support
 

From 31e3c21dcbf359de0606f9d04439558c3c922d24 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 20 Apr 2023 15:10:39 +0200
Subject: [PATCH 775/789] Make all saveAs conditions consistent

---
 conf/modules.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/conf/modules.config b/conf/modules.config
index c3cb136..f909b4e 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -388,7 +388,7 @@ process {
                 mode: params.publish_dir_mode,
                 pattern: '*.fq.gz',
                 enabled: params.save_analysis_ready_fastqs,
-                saveAs: { ( !params.perform_runmerging || params.perform_runmerging && !meta.is_multirun ) && params.perform_longread_hostremoval && params.save_analysis_ready_fastqs ? it : null }
+                saveAs: { ( params.perform_runmerging == false || params.perform_runmerging && !meta.is_multirun ) && params.perform_longread_hostremoval && params.save_analysis_ready_fastqs ? it : null }
             ]
         ]
     }

From 4f7e2eed8c900891bdb24ca17a3ff8554884285a Mon Sep 17 00:00:00 2001
From: nf-core-bot <core@nf-co.re>
Date: Thu, 20 Apr 2023 13:11:19 +0000
Subject: [PATCH 776/789] [automated] Fix linting with Prettier

---
 CHANGELOG.md | 1 -
 1 file changed, 1 deletion(-)

diff --git a/CHANGELOG.md b/CHANGELOG.md
index ec19144..73c5337 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -15,7 +15,6 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 - [#274](https://github.com/nf-core/taxprofiler/pull/274/files) Substituted the samtools/bam2fq module with samtools/fastq module (fix by @sofstam)
 - [#275](https://github.com/nf-core/taxprofiler/pull/275/files) Replaced function used for error reporting to more Nextflow friendly method (fix by @jfy133)
 
-
 ### `Dependencies`
 
 ### `Deprecated`

From 0ed110c529977d6e16158b94f1adf39d75a7b7db Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 20 Apr 2023 15:20:26 +0200
Subject: [PATCH 777/789] BUmp Kraken2 nf-core module to prevent huge logs

---
 modules.json                            | 2 +-
 modules/nf-core/kraken2/kraken2/main.nf | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/modules.json b/modules.json
index 9aa617a..f69c777 100644
--- a/modules.json
+++ b/modules.json
@@ -103,7 +103,7 @@
                     },
                     "kraken2/kraken2": {
                         "branch": "master",
-                        "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c",
+                        "git_sha": "7c695e0147df1157413e06246d9b0094617d3e6b",
                         "installed_by": ["modules"]
                     },
                     "krakentools/combinekreports": {
diff --git a/modules/nf-core/kraken2/kraken2/main.nf b/modules/nf-core/kraken2/kraken2/main.nf
index 1b9e760..5901064 100644
--- a/modules/nf-core/kraken2/kraken2/main.nf
+++ b/modules/nf-core/kraken2/kraken2/main.nf
@@ -31,7 +31,7 @@ process KRAKEN2_KRAKEN2 {
     def unclassified = meta.single_end ? "${prefix}.unclassified.fastq" : "${prefix}.unclassified#.fastq"
     def classified_option = save_output_fastqs ? "--classified-out ${classified}" : ""
     def unclassified_option = save_output_fastqs ? "--unclassified-out ${unclassified}" : ""
-    def readclassification_option = save_reads_assignment ? "--output ${prefix}.kraken2.classifiedreads.txt" : ""
+    def readclassification_option = save_reads_assignment ? "--output ${prefix}.kraken2.classifiedreads.txt" : "--output /dev/null"
     def compress_reads_command = save_output_fastqs ? "pigz -p $task.cpus *.fastq" : ""
 
     """

From 1eb951715f03cc873dc76ff788aef14da441ddb8 Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 20 Apr 2023 15:57:57 +0200
Subject: [PATCH 778/789] MultiQC optimisations for DIAMOND and Falco

---
 assets/multiqc_config.yml | 3 +--
 workflows/taxprofiler.nf  | 7 ++++++-
 2 files changed, 7 insertions(+), 3 deletions(-)

diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml
index f13d775..deaf219 100644
--- a/assets/multiqc_config.yml
+++ b/assets/multiqc_config.yml
@@ -37,8 +37,7 @@ run_modules:
 
 sp:
   diamond:
-    contents: "diamond v"
-    num_lines: 10
+    fn_re: ".*.diamond.log$"
   fastqc/data:
     fn_re: ".*(fastqc|falco)_data.txt$"
   fastqc/zip:
diff --git a/workflows/taxprofiler.nf b/workflows/taxprofiler.nf
index 25c8d76..8a9a3f3 100644
--- a/workflows/taxprofiler.nf
+++ b/workflows/taxprofiler.nf
@@ -270,7 +270,12 @@ workflow TAXPROFILER {
     ch_multiqc_files = ch_multiqc_files.mix(CUSTOM_DUMPSOFTWAREVERSIONS.out.mqc_yml.collect())
 
     if ( params.preprocessing_qc_tool == 'falco' ) {
-        ch_multiqc_files = ch_multiqc_files.mix(FALCO.out.txt.collect{it[1]}.ifEmpty([]))
+        // only mix in files acutally used by MultiQC
+        ch_multiqc_files = ch_multiqc_files.mix(FALCO.out.txt
+                            .map { meta, reports -> reports }
+                            .flatten()
+                            .filter { path -> path.name.endsWith('_data.txt')}
+                            .ifEmpty([]))
     } else {
         ch_multiqc_files = ch_multiqc_files.mix(FASTQC.out.zip.collect{it[1]}.ifEmpty([]))
     }

From 59f31469c36b22a3b8081c44875d8856dab0890e Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Thu, 20 Apr 2023 16:01:22 +0200
Subject: [PATCH 779/789] Update CHANGELOG

---
 CHANGELOG.md | 1 +
 1 file changed, 1 insertion(+)

diff --git a/CHANGELOG.md b/CHANGELOG.md
index 6d289cb..bff1c9a 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -13,6 +13,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 - [#269](https://github.com/nf-core/taxprofiler/pull/269/files) Reduced output files in AWS full test output due to very large files
 - [#270](https://github.com/nf-core/taxprofiler/pull/270/files) Fixed warning for host removal index parameter, and improved index checks (♥ to @prototaxites for reporting, fix by @jfy133)
 - [#274](https://github.com/nf-core/taxprofiler/pull/274/files) Substituted the samtools/bam2fq module with samtools/fastq module (fix by @sofstam)
+- [#286](https://github.com/nf-core/taxprofiler/pull/286/files) Runtime optimisation of MultiQC step via improved log file processing (fix by @Midnighter & @jfy133)
 
 ### `Dependencies`
 

From d06ac3713d6b43516ee1fcc709b222d124662eb0 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Fri, 21 Apr 2023 05:55:14 +0200
Subject: [PATCH 780/789] Update README.md

Co-authored-by: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
---
 README.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/README.md b/README.md
index d46c8e1..d1f2418 100644
--- a/README.md
+++ b/README.md
@@ -89,7 +89,7 @@ We thank the following people for their contributions to the development of this
 - [Thomas A. Christensen II](https://github.com/MillironX)
 - [Jianhong Ou](https://github.com/jianhong)
 - [Rafal Stepien](https://github.com/rafalstepien)
-- [Mahwash Jamy](https://github.com/mjamy).
+- [Mahwash Jamy](https://github.com/mjamy)
 
 ### Acknowledgments
 

From 386b1c9dfdaa8060d22ad6c173fce7f1fdb16894 Mon Sep 17 00:00:00 2001
From: nf-core-bot <core@nf-co.re>
Date: Fri, 21 Apr 2023 03:56:12 +0000
Subject: [PATCH 781/789] [automated] Fix linting with Prettier

---
 README.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/README.md b/README.md
index d1f2418..218cfe1 100644
--- a/README.md
+++ b/README.md
@@ -80,7 +80,7 @@ The nf-core/taxprofiler pipeline comes with documentation about the pipeline [us
 nf-core/taxprofiler was originally written by [James A. Fellows Yates](https://github.com/jfy133), [Moritz Beber](https://github.com/Midnighter), and [Sofia Stamouli](https://github.com/sofsam).
 
 We thank the following people for their contributions to the development of this pipeline:
- 
+
 ### Team
 
 - [Lauri Mesilaakso](https://github.com/ljmesi)

From e000ac3038555c8bb9ca414b523158ed9c29b19d Mon Sep 17 00:00:00 2001
From: James Fellows Yates <jfy133@gmail.com>
Date: Fri, 21 Apr 2023 06:09:49 +0200
Subject: [PATCH 782/789] Misssing changelog manual prettier [skip ci]

---
 CHANGELOG.md | 1 +
 1 file changed, 1 insertion(+)

diff --git a/CHANGELOG.md b/CHANGELOG.md
index 73c5337..7817114 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -14,6 +14,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 - [#270](https://github.com/nf-core/taxprofiler/pull/270/files) Fixed warning for host removal index parameter, and improved index checks (♥ to @prototaxites for reporting, fix by @jfy133)
 - [#274](https://github.com/nf-core/taxprofiler/pull/274/files) Substituted the samtools/bam2fq module with samtools/fastq module (fix by @sofstam)
 - [#275](https://github.com/nf-core/taxprofiler/pull/275/files) Replaced function used for error reporting to more Nextflow friendly method (fix by @jfy133)
+- [#285](https://github.com/nf-core/taxprofiler/pull/285/files) Fixed overly large log files in Kraken2 output (♥ to @prototaxites for reporting, fix by @Midnighter & @jfy133)
 
 ### `Dependencies`
 

From ee76a5f38b5c05edbad7b607faf118bb187762c3 Mon Sep 17 00:00:00 2001
From: "James A. Fellows Yates" <jfy133@gmail.com>
Date: Fri, 21 Apr 2023 13:44:03 +0200
Subject: [PATCH 783/789] Update conf/modules.config

Co-authored-by: Sofia Stamouli <91951607+sofstam@users.noreply.github.com>
---
 conf/modules.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/conf/modules.config b/conf/modules.config
index f909b4e..25480ea 100644
--- a/conf/modules.config
+++ b/conf/modules.config
@@ -388,7 +388,7 @@ process {
                 mode: params.publish_dir_mode,
                 pattern: '*.fq.gz',
                 enabled: params.save_analysis_ready_fastqs,
-                saveAs: { ( params.perform_runmerging == false || params.perform_runmerging && !meta.is_multirun ) && params.perform_longread_hostremoval && params.save_analysis_ready_fastqs ? it : null }
+                saveAs: { ( params.perform_runmerging == false || ( params.perform_runmerging && !meta.is_multirun) ) && params.perform_longread_hostremoval && params.save_analysis_ready_fastqs ? it : null }
             ]
         ]
     }

From 70dd7cade992d05b848de6ea41752a98e8546811 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Thu, 30 Mar 2023 16:49:22 +0200
Subject: [PATCH 784/789] feat: introduce sample batches for krakenuniq

---
 nextflow.config                 |  1 +
 subworkflows/local/profiling.nf | 24 ++++++++++++++----------
 2 files changed, 15 insertions(+), 10 deletions(-)

diff --git a/nextflow.config b/nextflow.config
index 827d182..c155769 100644
--- a/nextflow.config
+++ b/nextflow.config
@@ -125,6 +125,7 @@ params {
     krakenuniq_ram_chunk_size           = '16G'
     krakenuniq_save_reads               = false // added directly to module in profiling.nf
     krakenuniq_save_readclassifications = false // added directly to module in profiling.nf
+    krakenuniq_batch_size               = 20
 
     // Bracken
     run_bracken = false
diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index d328a9c..760353a 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -315,16 +315,20 @@ workflow PROFILING {
 
     if ( params.run_krakenuniq ) {
         ch_input_for_krakenuniq =  ch_input_for_profiling.krakenuniq
-                                    .map {
-                                        meta, reads, db_meta, db ->
-                                            [[id: db_meta.db_name, single_end: meta.single_end], reads, db_meta, db]
-                                    }
-                                    .groupTuple(by: [0,2,3])
-                                    .multiMap {
-                                        single_meta, reads, db_meta, db ->
-                                            reads: [ single_meta + db_meta, reads.flatten() ]
-                                            db: db
-                                }
+            .map {
+                meta, reads, db_meta, db ->
+                    [[id: db_meta.db_name, single_end: meta.single_end], reads, db_meta, db]
+            }
+            .groupTuple(by: [0,2,3])
+            .flatMap { single_meta, reads, db_meta, db ->
+                def batches = reads.collate(params.krakenuniq_batch_size)
+                return batches.colect { batch -> [ single_meta + db_meta, batch.flatten(), db ]}
+            }
+            .multiMap {
+                meta, reads, db ->
+                    reads: [ meta, reads ]
+                    db: db
+            }
         // Hardcode to _always_ produce the report file (which is our basic output, and goes into)
         KRAKENUNIQ_PRELOADEDKRAKENUNIQ ( ch_input_for_krakenuniq.reads, ch_input_for_krakenuniq.db, params.krakenuniq_ram_chunk_size, params.krakenuniq_save_reads, true, params.krakenuniq_save_readclassifications )
         ch_multiqc_files       = ch_multiqc_files.mix( KRAKENUNIQ_PRELOADEDKRAKENUNIQ.out.report )

From 17a9493e6dd501486afc438b2d94e1dd0fe726cf Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Thu, 30 Mar 2023 16:51:41 +0200
Subject: [PATCH 785/789] fix: remove typo

---
 subworkflows/local/profiling.nf | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/subworkflows/local/profiling.nf b/subworkflows/local/profiling.nf
index 760353a..7f8b943 100644
--- a/subworkflows/local/profiling.nf
+++ b/subworkflows/local/profiling.nf
@@ -322,7 +322,7 @@ workflow PROFILING {
             .groupTuple(by: [0,2,3])
             .flatMap { single_meta, reads, db_meta, db ->
                 def batches = reads.collate(params.krakenuniq_batch_size)
-                return batches.colect { batch -> [ single_meta + db_meta, batch.flatten(), db ]}
+                return batches.collect { batch -> [ single_meta + db_meta, batch.flatten(), db ]}
             }
             .multiMap {
                 meta, reads, db ->

From 2725fe15a9afbc40cfecdb15235021f10b2794e3 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Sat, 1 Apr 2023 15:18:46 +0200
Subject: [PATCH 786/789] docs: create a schema entry for the new parameter

---
 nextflow_schema.json | 7 +++++++
 1 file changed, 7 insertions(+)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 803e213..9c0d1b7 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -432,6 +432,13 @@
                     "description": "Turn on saving of KrakenUniq per-read taxonomic assignment file",
                     "help_text": "Save a text file that contains a list of each read that had a taxonomic assignment, with information on specific taxonomic taxonomic assignment that that read recieved.\n\n> Modifies tool parameter(s):\n> - krakenuniq: `--output`"
                 },
+                "krakenuniq_batch_size": {
+                    "type": "integer",
+                    "default": 20,
+                    "fa_icon": "far fa-window-restore",
+                    "description": "Set the batch size for KrakenUniq",
+                    "help_text": "Specify the batch size for KrakenUniq. The reference database for KrakenUniq is loaded into memory once in a process and then used to classify many samples. This parameter determines for how many samples at a time."
+                },
                 "run_bracken": {
                     "type": "boolean",
                     "description": "Turn on Bracken (and the required Kraken2 prerequisite step).",

From 49086d9475826fa9edf3b021dec1927d465b14e0 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Tue, 4 Apr 2023 12:40:27 +0200
Subject: [PATCH 787/789] docs: add changelog entry

[skip ci]
---
 CHANGELOG.md | 1 +
 1 file changed, 1 insertion(+)

diff --git a/CHANGELOG.md b/CHANGELOG.md
index 0e91599..85a760d 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -7,6 +7,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 
 ### `Added`
 
+- [#276](https://github.com/nf-core/taxprofiler/pull/276) Implemented batching in the KrakenUniq samples processing.
 - [#272](https://github.com/nf-core/taxprofiler/pull/272) - Add saving of final 'analysis-ready-reads' to dedicated directory. (❤️ to @alexhbnr for reporting, added by @jfy133)
 
 ### `Fixed`

From 08f06b9982f31aaf0e7ed5af6a79c8584170fb0d Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Sat, 22 Apr 2023 21:18:58 +0200
Subject: [PATCH 788/789] Apply suggestions from code review

Co-authored-by: James A. Fellows Yates <jfy133@gmail.com>
---
 CHANGELOG.md         | 2 +-
 nextflow_schema.json | 4 ++--
 2 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/CHANGELOG.md b/CHANGELOG.md
index 85a760d..65b53cf 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -7,7 +7,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 
 ### `Added`
 
-- [#276](https://github.com/nf-core/taxprofiler/pull/276) Implemented batching in the KrakenUniq samples processing.
+- [#276](https://github.com/nf-core/taxprofiler/pull/276) Implemented batching in the KrakenUniq samples processing. (added by @Midnighter)
 - [#272](https://github.com/nf-core/taxprofiler/pull/272) - Add saving of final 'analysis-ready-reads' to dedicated directory. (❤️ to @alexhbnr for reporting, added by @jfy133)
 
 ### `Fixed`
diff --git a/nextflow_schema.json b/nextflow_schema.json
index 9c0d1b7..23f10c8 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -436,8 +436,8 @@
                     "type": "integer",
                     "default": 20,
                     "fa_icon": "far fa-window-restore",
-                    "description": "Set the batch size for KrakenUniq",
-                    "help_text": "Specify the batch size for KrakenUniq. The reference database for KrakenUniq is loaded into memory once in a process and then used to classify many samples. This parameter determines for how many samples at a time."
+                    "description": "Specify the number samples for each KrakenUniq run",
+                    "help_text": "Specify the batch size for KrakenUniq. The reference database for KrakenUniq is loaded into memory once in a process and then used to classify many samples. When you have many samples, a single KrakenUniq run can be rather slow. Alternatively, we can split up KrakenUniq runs for a 'batch' of samples, allowing a balance between shared using a database for multiple samples, but also faster parallelised KrakenUniq runs. This parameter determines for how many samples at a time."
                 },
                 "run_bracken": {
                     "type": "boolean",

From 66a166dbdc8cfd71cde975ccc3828822c37d3ed8 Mon Sep 17 00:00:00 2001
From: "Moritz E. Beber" <midnighter@posteo.net>
Date: Sat, 22 Apr 2023 21:23:27 +0200
Subject: [PATCH 789/789] docs: tweak parameter schema description

---
 nextflow_schema.json | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/nextflow_schema.json b/nextflow_schema.json
index 23f10c8..60c22df 100644
--- a/nextflow_schema.json
+++ b/nextflow_schema.json
@@ -436,8 +436,8 @@
                     "type": "integer",
                     "default": 20,
                     "fa_icon": "far fa-window-restore",
-                    "description": "Specify the number samples for each KrakenUniq run",
-                    "help_text": "Specify the batch size for KrakenUniq. The reference database for KrakenUniq is loaded into memory once in a process and then used to classify many samples. When you have many samples, a single KrakenUniq run can be rather slow. Alternatively, we can split up KrakenUniq runs for a 'batch' of samples, allowing a balance between shared using a database for multiple samples, but also faster parallelised KrakenUniq runs. This parameter determines for how many samples at a time."
+                    "description": "Specify the number of samples for each KrakenUniq run",
+                    "help_text": "Specify the batch size for KrakenUniq. The reference database for KrakenUniq is loaded into memory once per nextflow process and then used to classify many samples. When you have many samples, a single KrakenUniq run can be rather slow. Alternatively, we can split up KrakenUniq runs for a 'batch' of samples, allowing a balance between shared use of database for multiple samples, but also faster parallelised KrakenUniq runs. This parameter determines for how many samples at a time."
                 },
                 "run_bracken": {
                     "type": "boolean",