Merge branch 'nf-core:master' into motus_downloaddb

.github/ISSUE_TEMPLATE/bug_report.md

@@ -1,64 +0,0 @@
----
-name: Bug report
-about: Report something that is broken or incorrect
-title: "[BUG]"
----
-
-<!--
-# nf-core/module bug report
-
-Hi there!
-
-Thanks for telling us about a problem with the modules.
-Please delete this text and anything that's not relevant from the template below:
--->
-
-## Check Documentation
-
-I have checked the following places for your error:
-
-- [ ] [nf-core website: troubleshooting](https://nf-co.re/usage/troubleshooting)
-- [ ] [nf-core/module documentation](https://github.com/nf-core/modules/blob/master/README.md)
-
-## Description of the bug
-
-<!-- A clear and concise description of what the bug is. -->
-
-## Steps to reproduce
-
-Steps to reproduce the behaviour:
-
-1. Command line: <!-- [e.g. `nextflow run ...`] -->
-2. See error: <!-- [Please provide your error message] -->
-
-## Expected behaviour
-
-<!-- A clear and concise description of what you expected to happen. -->
-
-## Log files
-
-Have you provided the following extra information/files:
-
-- [ ] The command used to run the module
-- [ ] The `.nextflow.log` file <!-- this is a hidden file in the directory where you launched the module -->
-
-## System
-
-- Hardware: <!-- [e.g. HPC, Desktop, Cloud...] -->
-- Executor: <!-- [e.g. slurm, local, awsbatch...] -->
-- OS: <!-- [e.g. CentOS Linux, macOS, Linux Mint...] -->
-- Version <!-- [e.g. 7, 10.13.6, 18.3...] -->
-
-## Nextflow Installation
-
-- Version: <!-- [e.g. 19.10.0] -->
-
-## Container engine
-
-- Engine: <!-- [e.g. Conda, Docker, Singularity or Podman] -->
-- version: <!-- [e.g. 1.0.0] -->
-- Image tag: <!-- [e.g. nfcore/module:2.6] -->
-
-## Additional context
-
-<!-- Add any other context about the problem here. -->

.github/ISSUE_TEMPLATE/bug_report.yml

@@ -0,0 +1,52 @@
+name: Bug report
+description: Report something that is broken or incorrect
+labels: bug
+body:
+  - type: checkboxes
+    attributes:
+      label: Have you checked the docs?
+      description: I have checked the following places for my error
+      options:
+        - label: "[nf-core website: troubleshooting](https://nf-co.re/usage/troubleshooting)"
+          required: true
+        - label: "[nf-core modules documentation](https://nf-co.re/docs/contributing/modules)"
+          required: true
+
+  - type: textarea
+    id: description
+    attributes:
+      label: Description of the bug
+      description: A clear and concise description of what the bug is.
+    validations:
+      required: true
+
+  - type: textarea
+    id: command_used
+    attributes:
+      label: Command used and terminal output
+      description: Steps to reproduce the behaviour. Please paste the command you used to launch the pipeline and the output from your terminal.
+      render: console
+      placeholder: |
+        $ nextflow run ...
+
+        Some output where something broke
+
+  - type: textarea
+    id: files
+    attributes:
+      label: Relevant files
+      description: |
+        Please drag and drop the relevant files here. Create a `.zip` archive if the extension is not allowed.
+        Your verbose log file `.nextflow.log` is often useful _(this is a hidden file in the directory where you launched the pipeline)_ as well as custom Nextflow configuration files.
+
+  - type: textarea
+    id: system
+    attributes:
+      label: System information
+      description: |
+        * Nextflow version _(eg. 21.10.3)_
+        * Hardware _(eg. HPC, Desktop, Cloud)_
+        * Executor _(eg. slurm, local, awsbatch)_
+        * Container engine and version: _(e.g. Docker 1.0.0, Singularity, Conda, Podman, Shifter or Charliecloud)_
+        * OS and version: _(eg. CentOS Linux, macOS, Ubuntu 22.04)_
+        * Image tag: <!-- [e.g. nfcore/cellranger:2.6] -->

.github/ISSUE_TEMPLATE/feature_request.md

@@ -1,32 +0,0 @@
----
-name: Feature request
-about: Suggest an idea for nf-core/modules
-title: "[FEATURE]"
----
-
-<!--
-# nf-core/modules feature request
-
-Hi there!
-
-Thanks for suggesting a new feature for the modules!
-Please delete this text and anything that's not relevant from the template below:
--->
-
-## Is your feature request related to a problem? Please describe
-
-<!-- A clear and concise description of what the problem is. -->
-
-<!-- e.g. [I'm always frustrated when ...] -->
-
-## Describe the solution you'd like
-
-<!-- A clear and concise description of what you want to happen. -->
-
-## Describe alternatives you've considered
-
-<!-- A clear and concise description of any alternative solutions or features you've considered. -->
-
-## Additional context
-
-<!-- Add any other context about the feature request here. -->

.github/ISSUE_TEMPLATE/feature_request.yml

@@ -0,0 +1,32 @@
+name: Feature request
+description: Suggest an idea for nf-core/modules
+labels: feature
+title: "[FEATURE]"
+body:
+  - type: textarea
+    id: description
+    attributes:
+      label: Is your feature request related to a problem? Please describe
+      description: A clear and concise description of what the bug is.
+      placeholder: |
+        <!-- e.g. [I'm always frustrated when ...] -->
+    validations:
+      required: true
+
+  - type: textarea
+    id: solution
+    attributes:
+      label: Describe the solution you'd like
+      description: A clear and concise description of the solution you want to happen.
+
+  - type: textarea
+    id: alternatives
+    attributes:
+      label: Describe alternatives you've considered
+      description: A clear and concise description of any alternative solutions or features you've considered.
+
+  - type: textarea
+    id: additional_context
+    attributes:
+      label: Additional context
+      description: Add any other context about the feature request here.

.github/ISSUE_TEMPLATE/new_module.md

@@ -1,26 +0,0 @@
----
-name: New module
-about: Suggest a new module for nf-core/modules
-title: "new module: TOOL/SUBTOOL"
-label: new module
----
-
-<!--
-# nf-core/modules new module suggestion
-
-Hi there!
-
-Thanks for suggesting a new module for the modules!
-Please delete this text and anything that's not relevant from the template below:
-
-Replace TOOL with the bioconda name for the tool in the following text, so that the link is functional.
-
-Replace TOOL/SUBTOOL in the issue title so that it's understandable.
--->
-
-I think it would be good to have a module for [TOOL](https://bioconda.github.io/recipes/TOOL/README.html)
-
-- [ ] This module does not exist yet with the [`nf-core modules list`](https://github.com/nf-core/tools#list-modules) command
-- [ ] There is no [open pull request](https://github.com/nf-core/modules/pulls) for this module
-- [ ] There is no [open issue](https://github.com/nf-core/modules/issues) for this module
-- [ ] If I'm planning to work on this module, I added myself to the `Assignees` to facilitate tracking who is working on the module

.github/ISSUE_TEMPLATE/new_module.yml

@@ -0,0 +1,36 @@
+name: New module
+description: Suggest a new module for nf-core/modules
+title: "new module: TOOL/SUBTOOL"
+labels: new module
+body:
+  - type: checkboxes
+    attributes:
+      label: Is there an existing module for this?
+      description: This module does not exist yet with the [`nf-core modules list`](https://github.com/nf-core/tools#list-modules) command
+      options:
+        - label: I have searched for the existing module
+          required: true
+
+  - type: checkboxes
+    attributes:
+      label: Is there an open PR for this?
+      description: There is no [open pull request](https://github.com/nf-core/modules/pulls) for this module
+      options:
+        - label: I have searched for existing PRs
+          required: true
+
+  - type: checkboxes
+    attributes:
+      label: Is there an open issue for this?
+      description: There is no [open issue](https://github.com/nf-core/modules/issues) for this module
+      options:
+        - label: I have searched for existing issues
+          required: true
+
+  - type: checkboxes
+    attributes:
+      label: Are you going to work on this?
+      description: If I'm planning to work on this module, I added myself to the `Assignees` to facilitate tracking who is working on the module
+      options:
+        - label: If I'm planning to work on this module, I added myself to the `Assignees` to facilitate tracking who is working on the module
+          required: false

modules/amplify/predict/main.nf

@@ -0,0 +1,41 @@
+def VERSION = '1.0.3' // Version information not provided by tool
+
+process AMPLIFY_PREDICT {
+    tag "$meta.id"
+    label 'process_low'
+
+    conda (params.enable_conda ? "bioconda::amplify=1.0.3" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/amplify:1.0.3--py36hdfd78af_0':
+        'quay.io/biocontainers/amplify:1.0.3--py36hdfd78af_0' }"
+
+    input:
+    tuple val(meta), path(faa)
+    path(model_dir)
+
+    output:
+    tuple val(meta), path('*.tsv'), emit: tsv
+    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 custom_model_dir = model_dir ? "-md ${model_dir}" : ""
+    """
+    AMPlify \\
+        $args \\
+        ${custom_model_dir} \\
+        -s '${faa}'
+
+    #rename output, because tool includes date and time in name
+    mv *.tsv ${prefix}.tsv
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        AMPlify: $VERSION
+    END_VERSIONS
+    """
+}

modules/amplify/predict/meta.yml

@@ -0,0 +1,47 @@
+name: "amplify_predict"
+description: AMPlify is an attentive deep learning model for antimicrobial peptide prediction.
+keywords:
+  - antimicrobial peptides
+  - AMPs
+  - prediction
+  - model
+tools:
+  - "amplify":
+      description: "Attentive deep learning model for antimicrobial peptide prediction"
+      homepage: "https://github.com/bcgsc/AMPlify"
+      documentation: "https://github.com/bcgsc/AMPlify"
+      tool_dev_url: "https://github.com/bcgsc/AMPlify"
+      doi: "https://doi.org/10.1186/s12864-022-08310-4"
+      licence: "['GPL v3']"
+
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - faa:
+      type: file
+      description: amino acid sequences fasta
+      pattern: "*.{fa,fa.gz,faa,faa.gz,fasta,fasta.gz}"
+  - model_dir:
+      type: directory
+      description: Directory of where models are stored (optional)
+
+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"
+  - tsv:
+      type: file
+      description: amino acid sequences with prediction (AMP, non-AMP) and probability scores
+      pattern: "*.{tsv}"
+
+authors:
+  - "@louperelo"

modules/antismash/antismashlitedownloaddatabases/main.nf

@@ -0,0 +1,50 @@
+process ANTISMASH_ANTISMASHLITEDOWNLOADDATABASES {
+    label 'process_low'
+
+    conda (params.enable_conda ? "bioconda::antismash-lite=6.0.1" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/antismash-lite:6.0.1--pyhdfd78af_1' :
+        'quay.io/biocontainers/antismash-lite:6.0.1--pyhdfd78af_1' }"
+
+    /*
+    These files are normally downloaded/created by download-antismash-databases itself, and must be retrieved for input by manually running the command with conda or a standalone installation of antiSMASH. Therefore we do not recommend using this module for production pipelines, but rather require users to specify their own local copy of the antiSMASH database in pipelines. This is solely for use for CI tests of the nf-core/module version of antiSMASH.
+    Reason: Upon execution, the tool checks if certain database files are present within the container and if not, it tries to create them in /usr/local/bin, for which only root user has write permissions. Mounting those database files with this module prevents the tool from trying to create them.
+    These files are also emitted as output channels in this module to enable the antismash-lite module to use them as mount volumes to the docker/singularity containers.
+    */
+
+    containerOptions {
+        workflow.containerEngine == 'singularity' ?
+        "-B $database_css:/usr/local/lib/python3.8/site-packages/antismash/outputs/html/css,$database_detection:/usr/local/lib/python3.8/site-packages/antismash/detection,$database_modules:/usr/local/lib/python3.8/site-packages/antismash/modules" :
+        workflow.containerEngine == 'docker' ?
+        "-v \$PWD/$database_css:/usr/local/lib/python3.8/site-packages/antismash/outputs/html/css -v \$PWD/$database_detection:/usr/local/lib/python3.8/site-packages/antismash/detection -v \$PWD/$database_modules:/usr/local/lib/python3.8/site-packages/antismash/modules" :
+        ''
+        }
+
+    input:
+    path database_css
+    path database_detection
+    path database_modules
+
+    output:
+    path("antismash_db") , emit: database
+    path("css"), emit: css_dir
+    path("detection"), emit: detection_dir
+    path("modules"), emit: modules_dir
+    path "versions.yml", emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+    """
+    download-antismash-databases \\
+        --database-dir antismash_db \\
+        $args
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        antismash-lite: \$(antismash --version | sed 's/antiSMASH //')
+    END_VERSIONS
+    """
+}

modules/antismash/antismashlitedownloaddatabases/meta.yml

@@ -0,0 +1,70 @@
+name: antismash_antismashlitedownloaddatabases
+description: antiSMASH allows the rapid genome-wide identification, annotation and analysis of secondary metabolite biosynthesis gene clusters. This module downloads the antiSMASH databases.
+keywords:
+  - secondary metabolites
+  - BGC
+  - biosynthetic gene cluster
+  - genome mining
+  - NRPS
+  - RiPP
+  - antibiotics
+  - prokaryotes
+  - bacteria
+  - eukaryotes
+  - fungi
+  - antismash
+  - database
+tools:
+  - antismash:
+      description: antiSMASH - the antibiotics and Secondary Metabolite Analysis SHell
+      homepage: https://docs.antismash.secondarymetabolites.org
+      documentation: https://docs.antismash.secondarymetabolites.org
+      tool_dev_url: https://github.com/antismash/antismash
+      doi: "10.1093/nar/gkab335"
+      licence: ["AGPL v3"]
+
+input:
+  - database_css:
+      type: directory
+      description: |
+        antismash/outputs/html/css folder which is being created during the antiSMASH database downloading step. These files are normally downloaded by download-antismash-databases itself, and must be retrieved by the user by manually running the command with conda or a standalone installation of antiSMASH. Therefore we do not recommend using this module for production pipelines, but rather require users to specify their own local copy of the antiSMASH database in pipelines.
+      pattern: "css"
+  - database_detection:
+      type: directory
+      description: |
+        antismash/detection folder which is being created during the antiSMASH database downloading step. These files are normally downloaded by download-antismash-databases itself, and must be retrieved by the user by manually running the command with conda or a standalone installation of antiSMASH. Therefore we do not recommend using this module for production pipelines, but rather require users to specify their own local copy of the antiSMASH database in pipelines.
+      pattern: "detection"
+  - database_modules:
+      type: directory
+      description: |
+        antismash/modules folder which is being created during the antiSMASH database downloading step. These files are normally downloaded by download-antismash-databases itself, and must be retrieved by the user by manually running the command with conda or a standalone installation of antiSMASH. Therefore we do not recommend using this module for production pipelines, but rather require users to specify their own local copy of the antiSMASH database in pipelines.
+      pattern: "modules"
+
+output:
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+
+  - database:
+      type: directory
+      description: Download directory for antiSMASH databases
+      pattern: "antismash_db"
+  - css_dir:
+      type: directory
+      description: |
+        antismash/outputs/html/css folder which is being created during the antiSMASH database downloading step. These files are normally downloaded by download-antismash-databases itself, and must be retrieved by the user by manually running the command with conda or a standalone installation of antiSMASH. Therefore we do not recommend using this module for production pipelines, but rather require users to specify their own local copy of the antiSMASH database in pipelines.
+      pattern: "css"
+  - detection_dir:
+      type: directory
+      description: |
+        antismash/detection folder which is being created during the antiSMASH database downloading step. These files are normally downloaded by download-antismash-databases itself, and must be retrieved by the user by manually running the command with conda or a standalone installation of antiSMASH. Therefore we do not recommend using this module for production pipelines, but rather require users to specify their own local copy of the antiSMASH database in pipelines.
+      pattern: "detection"
+  - modules_dir:
+      type: directory
+      description: |
+        antismash/modules folder which is being created during the antiSMASH database downloading step. These files are normally downloaded by download-antismash-databases itself, and must be retrieved by the user by manually running the command with conda or a standalone installation of antiSMASH. Therefore we do not recommend using this module for production pipelines, but rather require users to specify their own local copy of the antiSMASH database in pipelines.
+      pattern: "modules"
+
+authors:
+  - "@jasmezz"

modules/bamtools/split/main.nf

@@ -2,10 +2,10 @@ process BAMTOOLS_SPLIT {
     tag "$meta.id"
     label 'process_low'
 
-    conda (params.enable_conda ? "bioconda::bamtools=2.5.1" : null)
+    conda (params.enable_conda ? "bioconda::bamtools=2.5.2" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/bamtools:2.5.1--h9a82719_9' :
-        'quay.io/biocontainers/bamtools:2.5.1--h9a82719_9' }"
+        'https://depot.galaxyproject.org/singularity/bamtools:2.5.2--hd03093a_0' :
+        'quay.io/biocontainers/bamtools:2.5.2--hd03093a_0' }"
 
     input:
     tuple val(meta), path(bam)
@@ -20,11 +20,15 @@ process BAMTOOLS_SPLIT {
     script:
     def args = task.ext.args ?: ''
     def prefix = task.ext.prefix ?: "${meta.id}"
+    def input_list = bam.collect{"-in $it"}.join(' ')
     """
     bamtools \\
-        split \\
-        -in $bam \\
-        $args
+        merge \\
+        $input_list \\
+        | bamtools \\
+            split \\
+            -stub $prefix \\
+            $args
 
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":

modules/bamtools/split/meta.yml

@@ -23,7 +23,7 @@ input:
         e.g. [ id:'test', single_end:false ]
   - bam:
       type: file
-      description: A BAM file to split
+      description: A list of one or more BAM files to merge and then split
       pattern: "*.bam"
 
 output:
@@ -43,3 +43,4 @@ output:
 
 authors:
   - "@sguizard"
+  - "@matthdsm"

modules/bclconvert/.gitignore

@@ -0,0 +1,2 @@
+bcl-convert
+*.rpm

modules/bclconvert/Dockerfile

@@ -0,0 +1,15 @@
+# Dockerfile to create container with bcl-convert
+# Push to nfcore/bclconvert:<VER>
+
+FROM debian:bullseye-slim
+LABEL authors="Matthias De Smet <matthias.desmet@ugent.be>" \
+    description="Docker image containing bcl-convert"
+# Disclaimer: this container is not provided nor supported by Illumina
+# 'ps' command is need by some nextflow executions to collect system stats
+# Install procps and clean apt cache
+RUN apt-get update \
+    && apt-get install -y \
+    procps \
+    && apt-get clean -y && rm -rf /var/lib/apt/lists/*
+COPY bcl-convert /usr/local/bin/bcl-convert
+RUN chmod +x /usr/local/bin/bcl-convert

modules/bclconvert/LICENSE

@@ -0,0 +1,30 @@
+ILLUMINA END-USER SOFTWARE LICENSE AGREEMENT
+
+IMPORTANT-READ CAREFULLY. THIS IS A LICENSE AGREEMENT THAT YOU ARE REQUIRED TO ACCEPT BEFORE, DOWNLOADING, INSTALLING AND USING ANY SOFTWARE MADE AVAILABLE FROM THE ILLUMINA SUPPORT CENTER (https://support.illumina.com).
+
+CAREFULLY READ ALL THE TERMS AND CONDITIONS OF THIS LICENSE AGREEMENT BEFORE PROCEEDING WITH DOWNLOADING, INSTALLING, AND/OR USING THE SOFTWARE. YOU ARE NOT PERMITTED TO DOWNLOAD, INSTALL, AND/OR USE THE SOFTWARE UNTIL YOU HAVE AGREED TO BE BOUND BY ALL OF THE TERMS AND CONDITIONS OF THIS LICENSE AGREEMENT.  YOU REPRESENT AND WARRANT THAT YOU ARE DULY AUTHORIZED TO ACCEPT THE TERMS AND CONDITIONS OF THIS LICENSE AGREEMENT ON BEHALF OF YOUR EMPLOYER.
+
+Software made available through the Illumina Support Center is licensed, not sold, to you. Your license to each software program made available through the Illumina Support Center is subject to your prior acceptance of either this Illumina End-User Software License Agreement (“Agreement”), or a custom end user license agreement (“Custom EULA”), if one is provided with the software.  Any software that is subject to this Agreement is referred to herein as the “Software.” By accepting this Agreement, you agree the terms and conditions of this Agreement will apply to and govern any and all of your downloads, installations, and uses of each Illumina software program made available through the Illumina Support Center, except that your download, installation, and use of any software provided with a Custom EULA will be governed by the terms and conditions of the Custom EULA.
+
+This Agreement is made and entered into by and between Illumina, Inc., a Delaware corporation, having offices at 5200 Illumina Way, San Diego, CA 92122 (“Illumina”) and you as the end-user of the Software (hereinafter, “Licensee” or “you”).  All software, firmware, and associated media, printed materials, and online and electronic documentation, including any updates or upgrades thereof, made available through the Illumina Support Center (collectively, “Software”) provided to Licensee are for use solely by Licensee and the provisions herein WILL apply with respect to such Software.
+
+License Grant.  Subject to the terms and conditions of this Agreement, Illumina grants to Licensee, under the following terms and conditions, a personal, non-exclusive, revocable, non-transferable, non-sublicensable license, for its internal end-use purposes only, in the ordinary course of Licensee’s business to use the Software in executable object code form only, solely at the Licensee’s facility to, install and use the Software on a single computer accessible only by Licensee (and not on any public network or server), where the single computer is owned, leased, or otherwise substantially controlled by Licensee, for the purpose of processing and analyzing data generated from an Illumina genetic sequencing instrument owned and operated solely by Licensee (the “Product”). In the case of Software provided by Illumina in non-compiled form, Illumina grants Licensee a personal, non-exclusive,  non-sublicenseable, restricted right to compile, install, and use one copy of the Software solely for processing and analyzing data generated from the Product.
+License Restrictions. Except as expressly permitted in Section 1, Licensee may not make, have made, import, use, copy, reproduce, distribute, display, publish, sell, re-sell, lease, or sub-license the Software, in whole or in part, except as expressly provided for in this Agreement. Licensee may not modify, improve, translate, reverse engineer, decompile, disassemble, or create derivative works of the Software or otherwise attempt to (a) defeat, avoid, by-pass, remove, deactivate, or otherwise circumvent any software protection mechanisms in the Software including, without limitation, any such mechanism used to restrict or control the functionality of the Software, or (b) derive the source code or the underlying ideas, algorithms, structure, or organization form of the Software.  Licensee will not allow, at any time, including during and after the term of the license, the Software or any portions or copies thereof in any form to become available to any third parties.  Licensee may use the Software solely with genomic data that is generated using the Product; Licensee may not use the Software with any data generated from other products or instruments.  Licensee may not use the Software to perform any data analysis services for any third party.
+Ownership. The Software is protected by United States and international intellectual property laws. All right, title, and interest in and to the Software (including associated intellectual property rights) are and will remain vested in Illumina or Illumina’s affiliated companies or licensors. Licensee acknowledges that no rights, license or interest to any Illumina trademarks are granted hereunder. Licensee acknowledges that unauthorized reproduction or distribution of the Software, or any portion of it, may result in severe civil and criminal penalties.  Illumina reserves all rights in and to the Software not expressly granted to Licensee under this Agreement.
+Upgrades/Updates. Illumina may, at its sole discretion, provide updates or upgrades to the Software. In that case, Licensee WILL have the same rights and obligations under such updates or upgrades as it has for the versions of the Software initially provided to Licensee hereunder.  Licensee recognizes that Illumina is not obligated to provide any upgrades or updates to, or support for, the Software.
+Data Integrity/Loss. Licensee is responsible for the integrity and availability, including preventing the loss of data that Licensee generates, uses, analyzes, manages, or stores in connection with or through its use of the Software, including without limitation, investigating and implementing industry appropriate policies and procedures regarding the provision of access to Licensee’s data, monitoring access and use of Licensee’s data, conducting routine backups and archiving of Licensee’s data, and ensuring the adequacy of anti-virus software. Accordingly, Licensee agrees that Illumina is not responsible for any inability to access, loss or corruption of data as a result of Licensee’s use of the Software, and Illumina has no liability to Licensee in connection with such inability to access, loss or corruption of data.
+Term of License. This Agreement will be in effect from the time Licensee expressly accepts the terms and conditions of this license, or otherwise installs the Software, thereby accepting the terms and conditions contained herein, and will remain in effect until terminated. This license will otherwise terminate upon the conditions set forth in this Agreement, if revoked by Illumina, or if Licensee fails to comply with any term or condition of this Agreement including failure to pay any applicable license fee. Licensee agrees upon termination of this Agreement for any reason to immediately discontinue use of and un-install the Software and destroy all copies of the Software in its possession and/or under its control, and return or destroy, at Illumina’s option, any compact disks, floppy disks or other media provided by Illumina storing the Software thereon (together with any authorized copies thereof), as well as any documentation associated therewith
+Limited Warranty. Illumina warrants that, for a period of 6 months from the date of download or installation of the Software by Licensee, the Software will perform in all material respects in accordance with the accompanying documentation available on the Illumina Support Center. EXCEPT AND TO THE EXTENT EXPRESSLY PROVIDED IN THE FOREGOING, AND TO THE FULLEST EXTENT PERMITTED BY APPLICABLE LAW, THE SOFTWARE IS PROVIDED “AS IS” AND ILLUMINA EXPRESSLY DISCLAIMS ALL WARRANTIES AND CONDITIONS REGARDING THE SOFTWARE AND RESULTS GENERATED BY THE SOFTWARE, INCLUDING WITHOUT LIMITATION, TO THE FULLEST EXTENT PERMITTED BY APPLICABLE LAW, ALL OTHER EXPRESS OR IMPLIED WARRANTIES OR CONDITIONS OF MERCHANTABLE QUALITY, NON-INFRINGEMENT, AND FITNESS FOR A PARTICULAR PURPOSE, AND THOSE ARISING BY STATUTE OR OTHERWISE IN LAW OR FROM A COURSE OF DEALING OR USAGE OF TRADE.  ILLUMINA DOES NOT WARRANT THAT THE FUNCTIONS CONTAINED IN THE SOFTWARE WILL MEET LICENSEE"S REQUIREMENTS, OR THAT THE OPERATION OF THE SOFTWARE WILL BE ERROR FREE OR UNINTERRUPTED.
+Limitation of Liability.
+(a) ILLUMINA’S ENTIRE LIABILITY AND LICENSEE"S EXCLUSIVE REMEDY UNDER THE LIMITED WARRANTY PROVISION  OF SECTION 7 ABOVE WILL BE, AT ILLUMINA’S OPTION, EITHER (i) RETURN OF THE PRICE PAID FOR THE SOFTWARE, OR (ii) REPAIR OR REPLACEMENT OF THE PORTIONS OF THE SOFTWARE THAT DO NOT COMPLY WITH ILLUMINA’S LIMITED WARRANTY. THIS LIMITED WARRANTY IS VOID AND ILLUMINA WILL HAVE NO LIABILITY AT ALL IF FAILURE OF THE SOFTWARE TO COMPLY WITH ILLUMINA LIMITED WARRANTY HAS RESULTED FROM: (w) FAILURE TO USE THE SOFTWARE IN ACCORDANCE WITH ILLUMINA’S THEN CURRENT USER MANUAL OR THIS AGREEMENT; (x) ACCIDENT, ABUSE, OR MISAPPLICATION; (y) PRODUCTS OR EQUIPMENT NOT SPECIFIED BY ILLUMINA AS BEING COMPATIBLE WITH THE SOFTWARE; OR (z) IF LICENSEE HAS NOT NOTIFIED ILLUMINA IN WRITING OF THE DEFECT WITHIN THE ABOVE WARRANTY PERIOD.
+
+(b) TO THE FULLEST EXTENT PERMITTED BY APPLICABLE LAW, IN NO EVENT WILL ILLUMINA BE LIABLE UNDER ANY THEORY OF CONTRACT, TORT, STRICT LIABILITY OR OTHER LEGAL OR EQUITABLE THEORY FOR ANY PERSONAL INJURY OR ANY INDIRECT, CONSEQUENTIAL, OR INCIDENTAL DAMAGES, EVEN IF ILLUMINA HAS BEEN ADVISED OF THE POSSIBILITY THEREOF INCLUDING, WITHOUT LIMITATION, LOST PROFITS, LOST DATA, INTERRUPTION OF BUSINESS, LOST BUSINESS REVENUE, OTHER ECONOMIC LOSS, OR ANY LOSS OF RECORDED DATA ARISING OUT OF THE USE OF OR INABILITY TO USE THE SOFTWARE. EXCEPT AND TO THE EXTENT EXPRESSLY PROVIDED IN SECTION 7 AND 8(a) ABOVE OR AS OTHERWISE PERMITTED BY LAW, IN NO EVENT WILL ILLUMINA’S TOTAL LIABILITY TO LICENSEE FOR ALL DAMAGES (OTHER THAN AS MAY BE REQUIRED BY APPLICABLE LAW IN CASES INVOLVING PERSONAL INJURY) EXCEED THE AMOUNT OF $500 USD.  THE FOREGOING LIMITATIONS WILL APPLY EVEN IF THE ABOVE STATED REMEDY FAILS OF ITS ESSENTIAL PURPOSE.
+
+Survival. The limitations of liability and ownership rights of Illumina contained herein and Licensee’s obligations following termination of this Agreement WILL survive the termination of this Agreement for any reason.
+Research Use Only. The Software is labeled with a For Research Use Only or similar labeling statement and the performance characteristics of the Software have not been established and the Software is not for use in diagnostic procedures.  Licensee acknowledges and agrees that (i) the Software has not been approved, cleared, or licensed by the United States Food and Drug Administration or any other regulatory entity whether foreign or domestic for any specific intended use, whether research, commercial, diagnostic, or otherwise, and (ii) Licensee must ensure it has any regulatory approvals that are necessary for Licensee’s intended uses of the Software.  Licensee will comply with all applicable laws and regulations when using and maintaining the Software.
+General. Licensee may not sublicense, assign, share, pledge, rent or transfer any of its rights under this Agreement in relation to the Software or any portion thereof including documentation. Illumina reserves the right to change this Agreement at any time. When Illumina makes any changes, Illumina will provide the updated Agreement, or a link to it, on Illumina’s website (www.illumina.com) and such updated Agreement WILL become effective immediately. Licensee’s continued access to or use of the Software represents Licensee’s agreement to any revised Agreement. If one or more provisions of this Agreement are found to be invalid or unenforceable, this Agreement WILL not be rendered inoperative but the remaining provisions WILL continue in full force and effect.  This Agreement constitutes the entire agreement between the parties with respect to the subject matter of this Agreement and merges all prior communications except that a “hard-copy” form of licensing agreement relating to the Software previously agreed to in writing by Illumina and Licensee WILL supersede and govern in the event of any conflicting provisions.
+Governing Law. This Agreement WILL be governed by and construed in accordance with the laws of the state of California, USA, without regard to its conflicts of laws principles, and independent of where a suit or action hereunder may be filed.
+U.S. Government End Users.  If Licensee is a branch agency or instrumentality of the United States Government, the following provision applies.  The Software is a “commercial item” as that term is defined at 48 C.F.R. 2.101, consisting of “commercial computer software” and “commercial computer software documentation,” as such terms are used in 48 C.F.R. 12.212 or 48 C.F.R. 227.7202 (as applicable).  Consistent with 48 C.F.R. 12.212 and 48 C.F.R. 227.7202-1 through 227.7202-4, all United States Government end users acquire the Software with only those rights set forth herein.
+Contact. Any questions regarding legal rights, duties, obligations, or restrictions associated with the software hereunder should be directed to Illumina, Inc., 5200 Illumina Way, San Diego, CA 92122, Attention: Legal Department, Phone: (858) 202-4500, Fax: (858) 202-4599, web site: www.illumina.com <http://www.illumina.com>.
+Third Party Components. The Software may include third party software (“Third Party Programs”). Some of the Third Party Programs are available under open source or free software licenses. The License Agreement accompanying the Licensed Software does not alter any rights or obligations Licensee may have under those open source or free software licenses.  The licenses that govern the terms and conditions of use of the Third Party Programs included in the Licensed Software are provided in the READ ME provided with the Software.  The READ ME also contains copyright statements for the various open source software components (or portions thereof) that are distributed with the Licensed Software.
+END OF END-USER SOFTWARE LICENSE AGREEMENT.

modules/bclconvert/README.md

@@ -0,0 +1,17 @@
+# Updating the docker container and making a new module release
+
+bcl-convert is a commercial tool from Illumina. The container provided for the bcl-convert nf-core module is not provided nor supported by Illumina. Updating the bcl-convert versions in the container and pushing the update to Dockerhub needs to be done manually.
+
+1. Navigate to the appropriate download page. - [BCL Convert](https://support.illumina.com/sequencing/sequencing_software/bcl-convert/downloads.html): download the rpm of the desired bcl-convert version with `curl` or `wget`.
+2. Unpack the RPM package using `rpm2cpio bcl-convert-*.rpm | cpio -i --make-directories`. Place the executable located in `<unpack_dir>/usr/bin/bcl-convert` in the same folder where the Dockerfile lies.
+3. Create and test the container:
+
+   ```bash
+   docker build . -t nfcore/bclconvert:<VERSION>
+   ```
+
+4. Access rights are needed to push the container to the Dockerhub nfcore organization, please ask a core team member to do so.
+
+   ```bash
+   docker push nfcore/bclconvert:<VERSION>
+   ```

modules/bclconvert/main.nf

@@ -0,0 +1,81 @@
+process BCLCONVERT {
+    tag '$samplesheet'
+    label 'process_high'
+
+    if (params.enable_conda) {
+        exit 1, "Conda environments cannot be used when using bcl-convert. Please use docker or singularity containers."
+    }
+    container "nfcore/bclconvert:3.9.3"
+
+    input:
+    path samplesheet
+    path run_dir
+
+    output:
+    path "*.fastq.gz"               ,emit: fastq
+    path "Reports/*.{csv,xml,bin}"  ,emit: reports
+    path "Logs/*.{log,txt}"         ,emit: logs
+    path "InterOp/*.bin"            ,emit: interop
+    path "versions.yml"             ,emit: versions
+
+    when:
+    task.ext.when == null || task.ext.when
+
+    script:
+    def args = task.ext.args ?: ''
+
+    """
+    bcl-convert \
+        $args \\
+        --output-directory . \\
+        --bcl-input-directory ${run_dir} \\
+        --sample-sheet ${samplesheet} \\
+        --bcl-num-parallel-tiles ${task.cpus}
+
+    mkdir InterOp
+    cp ${run_dir}/InterOp/*.bin InterOp/
+    mv Reports/*.bin InterOp/
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        bclconvert: \$(bcl-convert -V 2>&1 | head -n 1 | sed 's/^.*Version //')
+    END_VERSIONS
+    """
+
+    stub:
+    """
+    echo "sample1_S1_L001_R1_001" > sample1_S1_L001_R1_001.fastq.gz
+    echo "sample1_S1_L001_R2_001" > sample1_S1_L001_R2_001.fastq.gz
+    echo "sample1_S1_L002_R1_001" > sample1_S1_L002_R1_001.fastq.gz
+    echo "sample1_S1_L002_R2_001" > sample1_S1_L002_R2_001.fastq.gz
+    echo "sample2_S2_L001_R1_001" > sample2_S2_L001_R1_001.fastq.gz
+    echo "sample2_S2_L001_R2_001" > sample2_S2_L001_R2_001.fastq.gz
+    echo "sample2_S2_L002_R1_001" > sample2_S2_L002_R1_001.fastq.gz
+    echo "sample2_S2_L002_R2_001" > sample2_S2_L002_R2_001.fastq.gz
+
+    mkdir Reports
+    echo "Adapter_Metrics" >  Reports/Adapter_Metrics.csv
+    echo "Demultiplex_Stats" >  Reports/Demultiplex_Stats.csv
+    echo "fastq_list" >  Reports/fastq_list.csv
+    echo "Index_Hopping_Counts" >  Reports/Index_Hopping_Counts.csv
+    echo "IndexMetricsOut" >  Reports/IndexMetricsOut.bin
+    echo "Quality_Metrics" >  Reports/Quality_Metrics.csv
+    echo "RunInfo" >  Reports/RunInfo.xml
+    echo "SampleSheet" >  Reports/SampleSheet.csv
+    echo "Top_Unknown_Barcodes" >  Reports/Top_Unknown_Barcodes.csv
+
+    mkdir Logs
+    echo "Errors" > Logs/Errors.log
+    echo "FastqComplete" > Logs/FastqComplete.txt
+    echo "Info" > Logs/Info.log
+    echo "Warnings" > Logs/Warnings.log
+
+    mkdir InterOp/
+    echo "InterOp" > InterOp/InterOp.bin
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        bclconvert: \$(bcl-convert -V 2>&1 | head -n 1 | sed 's/^.*Version //')
+    END_VERSIONS
+    """
+}

modules/bclconvert/meta.yml

@@ -0,0 +1,45 @@
+name: "bclconvert"
+description: Demultiplex Illumina BCL files
+keywords:
+  - demultiplex
+  - illumina
+  - fastq
+tools:
+  - "bclconvert":
+      description: "Demultiplex Illumina BCL files"
+      homepage: "https://support.illumina.com/sequencing/sequencing_software/bcl-convert.html"
+      documentation: "https://support-docs.illumina.com/SW/BCL_Convert/Content/SW/FrontPages/BCL_Convert.htm"
+      licence: "ILLUMINA"
+
+input:
+  - samplesheet:
+      type: file
+      description: "Input samplesheet"
+      pattern: "*.{csv}"
+  - run_dir:
+      type: directory
+      description: "Input run directory containing RunInfo.xml and BCL data"
+
+output:
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+  - fastq:
+      type: file
+      description: Demultiplexed FASTQ files
+      pattern: "*.{fastq.gz}"
+  - reports:
+      type: file
+      description: Demultiplexing Reports
+      pattern: "Reports/*.{csv,xml}"
+  - logs:
+      type: file
+      description: Log files
+      pattern: "Logs/*.{log,txt}"
+  - interop:
+      type: file
+      description: Interop files
+      pattern: "Interop/*.{bin}"
+authors:
+  - "@matthdsm"

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*/*")

modules/custom/getchromsizes/main.nf

@@ -2,10 +2,10 @@ process CUSTOM_GETCHROMSIZES {
     tag "$fasta"
     label 'process_low'
 
-    conda (params.enable_conda ? "bioconda::samtools=1.15" : null)
+    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--h1170115_1' :
-        'quay.io/biocontainers/samtools:1.15--h1170115_1' }"
+        'https://depot.galaxyproject.org/singularity/samtools:1.15.1--h1170115_0' :
+        'quay.io/biocontainers/samtools:1.15.1--h1170115_0' }"
 
     input:
     path fasta

modules/diamond/blastp/main.nf

@@ -2,20 +2,26 @@ process DIAMOND_BLASTP {
     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
+    path db
+    val out_ext
+    val blast_columns
 
     output:
-    tuple val(meta), path('*.txt'), emit: txt
-    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
@@ -23,6 +29,21 @@ process DIAMOND_BLASTP {
     script:
     def args = task.ext.args ?: ''
     def prefix = task.ext.prefix ?: "${meta.id}"
+    def columns = blast_columns ? "${blast_columns}" : ''
+    switch ( out_ext ) {
+        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
+        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//'`
 
@@ -31,8 +52,9 @@ process DIAMOND_BLASTP {
         --threads $task.cpus \\
         --db \$DB \\
         --query $fasta \\
+        --outfmt ${outfmt} ${columns} \\
         $args \\
-        --out ${prefix}.txt
+        --out ${prefix}.${out_ext}
 
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":

modules/diamond/blastp/meta.yml

@@ -28,12 +28,50 @@ input:
       type: directory
       description: Directory containing the protein blast database
       pattern: "*"
+  - out_ext:
+      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"
+  - blast_columns:
+      type: string
+      description: |
+        Optional space separated list of DIAMOND tabular BLAST output keywords
+        used for in conjunction with the 'txt' out_ext option (--outfmt 6). See
+        DIAMOND documnetation for more information.
 
 output:
-  - txt:
+  - blast:
       type: file
       description: File containing blastp hits
-      pattern: "*.{blastp.txt}"
+      pattern: "*.{blast}"
+  - xml:
+      type: file
+      description: File containing blastp hits
+      pattern: "*.{xml}"
+  - txt:
+      type: file
+      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
@@ -41,3 +79,4 @@ output:
 
 authors:
   - "@spficklin"
+  - "@jfy133"

modules/diamond/blastx/main.nf

@@ -2,20 +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
+    path db
+    val out_ext
+    val blast_columns
 
     output:
-    tuple val(meta), path('*.txt'), emit: txt
-    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
@@ -23,6 +29,21 @@ process DIAMOND_BLASTX {
     script:
     def args = task.ext.args ?: ''
     def prefix = task.ext.prefix ?: "${meta.id}"
+    def columns = blast_columns ? "${blast_columns}" : ''
+    switch ( out_ext ) {
+        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
+        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//'`
 
@@ -31,8 +52,9 @@ process DIAMOND_BLASTX {
         --threads $task.cpus \\
         --db \$DB \\
         --query $fasta \\
+        --outfmt ${outfmt} ${columns} \\
         $args \\
-        --out ${prefix}.txt
+        --out ${prefix}.${out_ext}
 
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":

modules/diamond/blastx/meta.yml

@@ -28,12 +28,44 @@ input:
       type: directory
       description: Directory containing the nucelotide blast database
       pattern: "*"
+  - out_ext:
+      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:
+  - 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
@@ -41,3 +73,4 @@ output:
 
 authors:
   - "@spficklin"
+  - "@jfy133"

modules/diamond/makedb/main.nf

@@ -2,12 +2,10 @@ process DIAMOND_MAKEDB {
     tag "$fasta"
     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:
     path fasta

modules/elprep/filter/main.nf

@@ -0,0 +1,89 @@
+process ELPREP_FILTER {
+    tag "$meta.id"
+    label 'process_high'
+
+    conda (params.enable_conda ? "bioconda::elprep=5.1.2" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/elprep:5.1.2--he881be0_0':
+        'quay.io/biocontainers/elprep:5.1.2--he881be0_0' }"
+
+    input:
+    tuple val(meta), path(bam)
+    val(run_haplotypecaller)
+    val(run_bqsr)
+    path(reference_sequences)
+    path(filter_regions_bed)
+    path(reference_elfasta)
+    path(known_sites_elsites)
+    path(target_regions_bed)
+    path(intermediate_bqsr_tables)
+    val(bqsr_tables_only)
+    val(get_activity_profile)
+    val(get_assembly_regions)
+
+
+    output:
+    tuple val(meta), path("output/**.{bam,sam}")    ,emit: bam
+    tuple val(meta), path("*.metrics.txt")          ,optional: true, emit: metrics
+    tuple val(meta), path("*.recall")               ,optional: true, emit: recall
+    tuple val(meta), path("*.vcf.gz")               ,optional: true, emit: gvcf
+    tuple val(meta), path("*.table")                ,optional: true, emit: table
+    tuple val(meta), path("*.activity_profile.igv") ,optional: true, emit: activity_profile
+    tuple val(meta), path("*.assembly_regions.igv") ,optional: true, emit: assembly_regions
+    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 suffix = args.contains("--output-type sam") ? "sam" : "bam"
+
+    // filter args
+    def reference_sequences_cmd = reference_sequences ? " --replace-reference-sequences ${reference_sequences}" : ""
+    def filter_regions_cmd      = filter_regions_bed  ? " --filter-non-overlapping-reads ${filter_regions_bed}" : ""
+
+    // markdup args
+    def markdup_cmd = args.contains("--mark-duplicates") ? " --mark-optical-duplicates ${prefix}.metrics.txt": ""
+
+    // variant calling args
+    def haplotyper_cmd = run_haplotypecaller ? " --haplotypecaller ${prefix}.g.vcf.gz": ""
+
+    def fasta_cmd           = reference_elfasta   ? " --reference ${reference_elfasta}": ""
+    def known_sites_cmd     = known_sites_elsites ? " --known-sites ${known_sites_elsites}": ""
+    def target_regions_cmd  = target_regions_bed  ? " --target-regions ${target_regions_bed}": ""
+
+    // bqsr args
+    def bqsr_cmd = run_bqsr ? " --bqsr ${prefix}.recall": ""
+    def bqsr_tables_only_cmd = bqsr_tables_only ? " --bqsr-tables-only ${prefix}.table": ""
+
+    def intermediate_bqsr_cmd = intermediate_bqsr_tables ? " --bqsr-apply .": ""
+
+    // misc
+    def activity_profile_cmd = get_activity_profile ? " --activity-profile ${prefix}.activity_profile.igv": ""
+    def assembly_regions_cmd = get_assembly_regions ? " --assembly-regions ${prefix}.assembly_regions.igv": ""
+
+    """
+    elprep filter ${bam} output/${prefix}.${suffix} \\
+        ${reference_sequences_cmd} \\
+        ${filter_regions_cmd} \\
+        ${markdup_cmd} \\
+        ${haplotyper_cmd} \\
+        ${fasta_cmd} \\
+        ${known_sites_cmd} \\
+        ${target_regions_cmd} \\
+        ${bqsr_cmd} \\
+        ${bqsr_tables_only_cmd} \\
+        ${intermediate_bqsr_cmd} \\
+        ${activity_profile_cmd} \\
+        ${assembly_regions_cmd} \\
+        --nr-of-threads ${task.cpus} \\
+        $args
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        elprep: \$(elprep 2>&1 | head -n2 | tail -n1 |sed 's/^.*version //;s/ compiled.*\$//')
+    END_VERSIONS
+    """
+}

modules/elprep/filter/meta.yml

@@ -0,0 +1,106 @@
+name: "elprep_filter"
+description: "Filter, sort and markdup sam/bam files, with optional BQSR and variant calling."
+keywords:
+  - sort
+  - bam
+  - sam
+  - filter
+  - variant calling
+tools:
+  - "elprep":
+      description: "elPrep is a high-performance tool for preparing .sam/.bam files for variant calling in sequencing pipelines. It can be used as a drop-in replacement for SAMtools/Picard/GATK4."
+      homepage: "https://github.com/ExaScience/elprep"
+      documentation: "https://github.com/ExaScience/elprep"
+      tool_dev_url: "https://github.com/ExaScience/elprep"
+      doi: "10.1371/journal.pone.0244471"
+      licence: "['AGPL v3']"
+
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - bam:
+      type: file
+      description: Input SAM/BAM file
+      pattern: "*.{bam,sam}"
+  - run_haplotypecaller:
+      type: boolean
+      description: Run variant calling on the input files. Needed to generate gvcf output.
+  - run_bqsr:
+      type: boolean
+      description: Run BQSR on the input files. Needed to generate recall metrics.
+  - reference_sequences:
+      type: file
+      description: Optional SAM header to replace existing header.
+      pattern: "*.sam"
+  - filter_regions_bed:
+      type: file
+      description: Optional BED file containing regions to filter.
+      pattern: "*.bed"
+  - reference_elfasta:
+      type: file
+      description: Elfasta file, required for BQSR and variant calling.
+      pattern: "*.elfasta"
+  - known_sites:
+      type: file
+      description: Optional elsites file containing known SNPs for BQSR.
+      pattern: "*.elsites"
+  - target_regions_bed:
+      type: file
+      description: Optional BED file containing target regions for BQSR and variant calling.
+      pattern: "*.bed"
+  - intermediate_bqsr_tables:
+      type: file
+      description: Optional list of BQSR tables, used when parsing files created by `elprep split`
+      pattern: "*.table"
+  - bqsr_tables_only:
+      type: boolean
+      description: Write intermediate BQSR tables, used when parsing files created by `elprep split`.
+  - get_activity_profile:
+      type: boolean
+      description: Get the activity profile calculated by the haplotypecaller to the given file in IGV format.
+  - get_assembly_regions:
+      type: boolean
+      description: Get the assembly regions calculated by haplotypecaller to the speficied file in IGV format.
+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"
+  - bam:
+      type: file
+      description: Sorted, markdup, optionally BQSR BAM/SAM file
+      pattern: "*.{bam,sam}"
+  - metrics:
+      type: file
+      description: Optional duplicate metrics file generated by elprep
+      pattern: "*.{metrics.txt}"
+  - recall:
+      type: file
+      description: Optional recall metrics file generated by elprep
+      pattern: "*.{recall}"
+  - gvcf:
+      type: file
+      description: Optional GVCF output file
+      pattern: "*.{vcf.gz}"
+  - table:
+      type: file
+      description: Optional intermediate BQSR table output file
+      pattern: "*.{table}"
+  - activity_profile:
+      type: file
+      description: Optional activity profile output file
+      pattern: "*.{activity_profile.igv}"
+  - assembly_regions:
+      type: file
+      description: Optional activity regions output file
+      pattern: "*.{assembly_regions.igv}"
+authors:
+  - "@matthdsm"

modules/elprep/merge/main.nf

@@ -0,0 +1,43 @@
+process ELPREP_MERGE {
+    tag "$meta.id"
+    label 'process_low'
+
+    conda (params.enable_conda ? "bioconda::elprep=5.1.2" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/elprep:5.1.2--he881be0_0':
+        'quay.io/biocontainers/elprep:5.1.2--he881be0_0' }"
+
+    input:
+    tuple val(meta), path(bam)
+
+    output:
+    tuple val(meta), path("output/**.{bam,sam}")    , 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 suffix      = args.contains("--output-type sam") ? "sam" : "bam"
+    def single_end  = meta.single_end ? " --single-end" : ""
+
+    """
+    # create directory and move all input so elprep can find and merge them before splitting
+    mkdir input
+    mv ${bam} input/
+
+    elprep merge \\
+        input/ \\
+        output/${prefix}.${suffix} \\
+        $args \\
+        ${single_end} \\
+        --nr-of-threads $task.cpus
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        elprep: \$(elprep 2>&1 | head -n2 | tail -n1 |sed 's/^.*version //;s/ compiled.*\$//')
+    END_VERSIONS
+    """
+}

modules/elprep/merge/meta.yml

@@ -0,0 +1,44 @@
+name: "elprep_merge"
+description: Merge split bam/sam chunks in one file
+keywords:
+  - bam
+  - sam
+  - merge
+tools:
+  - "elprep":
+      description: "elPrep is a high-performance tool for preparing .sam/.bam files for variant calling in sequencing pipelines. It can be used as a drop-in replacement for SAMtools/Picard/GATK4."
+      homepage: "https://github.com/ExaScience/elprep"
+      documentation: "https://github.com/ExaScience/elprep"
+      tool_dev_url: "https://github.com/ExaScience/elprep"
+      doi: "10.1371/journal.pone.0244471"
+      licence: "['AGPL v3']"
+
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - bam:
+      type: file
+      description: List of BAM/SAM chunks to merge
+      pattern: "*.{bam,sam}"
+
+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"
+  - bam:
+      type: file
+      description: Merged BAM/SAM file
+      pattern: "*.{bam,sam}"
+
+authors:
+  - "@matthdsm"

modules/elprep/split/main.nf

@@ -0,0 +1,45 @@
+process ELPREP_SPLIT {
+    tag "$meta.id"
+    label 'process_low'
+
+    conda (params.enable_conda ? "bioconda::elprep=5.1.2" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/elprep:5.1.2--he881be0_0':
+        'quay.io/biocontainers/elprep:5.1.2--he881be0_0' }"
+
+    input:
+    tuple val(meta), path(bam)
+
+    output:
+    tuple val(meta), path("output/**.{bam,sam}"), 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 single_end  = meta.single_end ? " --single-end": ""
+
+    """
+    # create directory and move all input so elprep can find and merge them before splitting
+    mkdir input
+    mv ${bam} input/
+
+    mkdir ${prefix}
+
+    elprep split \\
+        input \\
+        output/ \\
+        $args \\
+        $single_end \\
+        --nr-of-threads $task.cpus \\
+        --output-prefix $prefix
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        elprep: \$(elprep 2>&1 | head -n2 | tail -n1 |sed 's/^.*version //;s/ compiled.*\$//')
+    END_VERSIONS
+    """
+}

modules/elprep/split/meta.yml

@@ -0,0 +1,43 @@
+name: "elprep_split"
+description: Split bam file into manageable chunks
+keywords:
+  - bam
+  - split by chromosome
+tools:
+  - "elprep":
+      description: "elPrep is a high-performance tool for preparing .sam/.bam files for variant calling in sequencing pipelines. It can be used as a drop-in replacement for SAMtools/Picard/GATK4."
+      homepage: "https://github.com/ExaScience/elprep"
+      documentation: "https://github.com/ExaScience/elprep"
+      tool_dev_url: "https://github.com/ExaScience/elprep"
+      doi: "10.1371"
+      licence: "['AGPL v3']"
+
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - bam:
+      type: file
+      description: List of BAM/SAM files
+      pattern: "*.{bam,sam}"
+
+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"
+  - bam:
+      type: file
+      description: List of split BAM/SAM files
+      pattern: "*.{bam,sam}"
+
+authors:
+  - "@matthdsm"

modules/gamma/main.nf

@@ -0,0 +1,41 @@
+def VERSION = '2.1' // Version information not provided by tool on CLI
+
+process GAMMA {
+    tag "$meta.id"
+    label 'process_low'
+
+    conda (params.enable_conda ? "bioconda::gamma=2.1" : null)
+    container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
+        'https://depot.galaxyproject.org/singularity/gamma%3A2.1--hdfd78af_0':
+        'quay.io/biocontainers/gamma:2.1--hdfd78af_0' }"
+
+    input:
+    tuple val(meta), path(fasta)
+    path(db)
+
+    output:
+    tuple val(meta), path("*.gamma")                , emit: gamma
+    tuple val(meta), path("*.psl")                  , emit: psl
+    tuple val(meta), path("*.gff")  , optional:true , emit: gff
+    tuple val(meta), path("*.fasta"), optional:true , emit: fasta
+    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}"
+    """
+    GAMMA.py \\
+        $args \\
+        $fasta \\
+        $db \\
+        $prefix
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        gamma: $VERSION
+    END_VERSIONS
+    """
+}

modules/gamma/meta.yml

@@ -0,0 +1,63 @@
+name: "gamma"
+description: Gene Allele Mutation Microbial Assessment
+keywords:
+  - gamma
+  - gene-calling
+tools:
+  - "gamma":
+      description: "Tool for Gene Allele Mutation Microbial Assessment"
+      homepage: "https://github.com/rastanton/GAMMA"
+      documentation: "https://github.com/rastanton/GAMMA"
+      tool_dev_url: "https://github.com/rastanton/GAMMA"
+      doi: "10.1093/bioinformatics/btab607"
+      licence: "['Apache License 2.0']"
+
+input:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - fasta:
+      type: file
+      description: FASTA file
+      pattern: "*.{fa,fasta}"
+  - db:
+      type: file
+      description: Database in FASTA format
+      pattern: "*.{fa,fasta}"
+
+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"
+
+  - gamma:
+      type: file
+      description: GAMMA file with annotated gene matches
+      pattern: "*.{gamma}"
+
+  - psl:
+      type: file
+      description: PSL file with all gene matches found
+      pattern: "*.{psl}"
+
+  - gff:
+      type: file
+      description: GFF file
+      pattern: "*.{gff}"
+
+  - fasta:
+      type: file
+      description: multifasta file of the gene matches
+      pattern: "*.{fasta}"
+
+authors:
+  - "@sateeshperi"
+  - "@rastanton"

modules/gatk4/haplotypecaller/main.nf

@@ -17,7 +17,7 @@ process GATK4_HAPLOTYPECALLER {
 
     output:
     tuple val(meta), path("*.vcf.gz"), emit: vcf
-    tuple val(meta), path("*.tbi")   , emit: tbi
+    tuple val(meta), path("*.tbi")   , optional:true, emit: tbi
     path "versions.yml"              , emit: versions
 
     when:

modules/gatk4/markduplicates/main.nf

@@ -12,7 +12,7 @@ process GATK4_MARKDUPLICATES {
 
     output:
     tuple val(meta), path("*.bam")    , emit: bam
-    tuple val(meta), path("*.bai")    , emit: bai
+    tuple val(meta), path("*.bai")    , optional:true, emit: bai
     tuple val(meta), path("*.metrics"), emit: metrics
     path "versions.yml"               , emit: versions
 

modules/gatk4/splitncigarreads/main.nf

@@ -8,7 +8,7 @@ process GATK4_SPLITNCIGARREADS {
         'quay.io/biocontainers/gatk4:4.2.5.0--hdfd78af_0' }"
 
     input:
-    tuple val(meta), path(bam)
+    tuple val(meta), path(bam), path(bai), path(intervals)
     path  fasta
     path  fai
     path  dict
@@ -23,6 +23,7 @@ process GATK4_SPLITNCIGARREADS {
     script:
     def args = task.ext.args ?: ''
     def prefix = task.ext.prefix ?: "${meta.id}"
+    def interval_command = intervals ? "--intervals $intervals" : ""
 
     def avail_mem = 3
     if (!task.memory) {
@@ -35,6 +36,7 @@ process GATK4_SPLITNCIGARREADS {
         --input $bam \\
         --output ${prefix}.bam \\
         --reference $fasta \\
+        $interval_command \\
         --tmp-dir . \\
         $args
 

modules/gatk4/splitncigarreads/meta.yml

@@ -23,6 +23,13 @@ input:
       type: list
       description: BAM/SAM/CRAM file containing reads
       pattern: "*.{bam,sam,cram}"
+  - bai:
+      type: list
+      description: BAI/SAI/CRAI index file (optional)
+      pattern: "*.{bai,sai,crai}"
+  - intervals:
+      type: file
+      description: Bed file with the genomic regions included in the library (optional)
   - fasta:
       type: file
       description: The reference fasta file

modules/gunzip/main.nf

@@ -4,8 +4,8 @@ process GUNZIP {
 
     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)

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
+    """
+}

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"

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}":

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

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
+    """
+}

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"

modules/minimap2/align/main.nf

@@ -2,18 +2,22 @@ process MINIMAP2_ALIGN {
     tag "$meta.id"
     label 'process_medium'
 
-    conda (params.enable_conda ? 'bioconda::minimap2=2.21' : null)
+    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/minimap2:2.21--h5bf99c6_0' :
-        'quay.io/biocontainers/minimap2:2.21--h5bf99c6_0' }"
+        '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"), emit: paf
-    path "versions.yml" , emit: versions
+    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
@@ -22,13 +26,19 @@ process MINIMAP2_ALIGN {
     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 \\
-        > ${prefix}.paf
+        $cigar_paf \\
+        $set_cigar_bam \\
+        $bam_output
+
 
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":

modules/minimap2/align/meta.yml

@@ -29,6 +29,17 @@ input:
       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
@@ -39,9 +50,16 @@ output:
       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"

modules/phantompeakqualtools/main.nf

@@ -22,11 +22,12 @@ process PHANTOMPEAKQUALTOOLS {
     task.ext.when == null || task.ext.when
 
     script:
-    def args = task.ext.args ?: ''
+    def args   = task.ext.args ?: ''
+    def args2  = task.ext.args2 ?: ''
     def prefix = task.ext.prefix ?: "${meta.id}"
     """
     RUN_SPP=`which run_spp.R`
-    Rscript $args -e "library(caTools); source(\\"\$RUN_SPP\\")" -c="$bam" -savp="${prefix}.spp.pdf" -savd="${prefix}.spp.Rdata" -out="${prefix}.spp.out" -p=$task.cpus
+    Rscript $args -e "library(caTools); source(\\"\$RUN_SPP\\")" -c="$bam" -savp="${prefix}.spp.pdf" -savd="${prefix}.spp.Rdata" -out="${prefix}.spp.out" $args2
 
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":

modules/picard/addorreplacereadgroups/main.nf

@@ -2,10 +2,10 @@ process PICARD_ADDORREPLACEREADGROUPS {
     tag "$meta.id"
     label 'process_low'
 
-    conda (params.enable_conda ? "bioconda::picard=2.26.9" : null)
+    conda (params.enable_conda ? "bioconda::picard=2.27.1" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/picard:2.26.9--hdfd78af_0' :
-        'quay.io/biocontainers/picard:2.26.9--hdfd78af_0' }"
+        'https://depot.galaxyproject.org/singularity/picard:2.27.1--hdfd78af_0' :
+        'quay.io/biocontainers/picard:2.27.1--hdfd78af_0' }"
 
     input:
     tuple val(meta), path(bam)
@@ -38,12 +38,12 @@ process PICARD_ADDORREPLACEREADGROUPS {
         -Xmx${avail_mem}g \\
         --INPUT ${bam} \\
         --OUTPUT ${prefix}.bam \\
-        -ID ${ID} \\
-        -LB ${LIBRARY} \\
-        -PL ${PLATFORM} \\
-        -PU ${BARCODE} \\
-        -SM ${SAMPLE} \\
-        -CREATE_INDEX true
+        --RGID ${ID} \\
+        --RGLB ${LIBRARY} \\
+        --RGPL ${PLATFORM} \\
+        --RGPU ${BARCODE} \\
+        --RGSM ${SAMPLE} \\
+        --CREATE_INDEX true
 
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":

modules/picard/cleansam/main.nf

@@ -2,10 +2,10 @@ process PICARD_CLEANSAM {
     tag "$meta.id"
     label 'process_medium'
 
-    conda (params.enable_conda ? "bioconda::picard=2.26.9" : null)
+    conda (params.enable_conda ? "bioconda::picard=2.27.1" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/picard:2.26.9--hdfd78af_0' :
-        'quay.io/biocontainers/picard:2.26.9--hdfd78af_0' }"
+        'https://depot.galaxyproject.org/singularity/picard:2.27.1--hdfd78af_0' :
+        'quay.io/biocontainers/picard:2.27.1--hdfd78af_0' }"
 
     input:
     tuple val(meta), path(bam)
@@ -31,8 +31,8 @@ process PICARD_CLEANSAM {
         -Xmx${avail_mem}g \\
         CleanSam  \\
         ${args} \\
-        -I ${bam} \\
-        -O ${prefix}.bam
+        --INPUT ${bam} \\
+        --OUTPUT ${prefix}.bam
 
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":

modules/picard/collecthsmetrics/main.nf

@@ -2,10 +2,10 @@ process PICARD_COLLECTHSMETRICS {
     tag "$meta.id"
     label 'process_medium'
 
-    conda (params.enable_conda ? "bioconda::picard=2.26.10" : null)
+    conda (params.enable_conda ? "bioconda::picard=2.27.1" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/picard:2.26.10--hdfd78af_0' :
-        'quay.io/biocontainers/picard:2.26.10--hdfd78af_0' }"
+        'https://depot.galaxyproject.org/singularity/picard:2.27.1--hdfd78af_0' :
+        'quay.io/biocontainers/picard:2.27.1--hdfd78af_0' }"
 
     input:
     tuple val(meta), path(bam)
@@ -15,8 +15,8 @@ process PICARD_COLLECTHSMETRICS {
     path target_intervals
 
     output:
-    tuple val(meta), path("*collecthsmetrics.txt"), emit: hs_metrics
-    path "versions.yml"                           , emit: versions
+    tuple val(meta), path("*_metrics")  , emit: metrics
+    path "versions.yml"                 , emit: versions
 
     when:
     task.ext.when == null || task.ext.when
@@ -38,10 +38,11 @@ process PICARD_COLLECTHSMETRICS {
         CollectHsMetrics \\
         $args \\
         $reference \\
-        -BAIT_INTERVALS $bait_intervals \\
-        -TARGET_INTERVALS $target_intervals \\
-        -INPUT $bam \\
-        -OUTPUT ${prefix}_collecthsmetrics.txt
+        --BAIT_INTERVALS $bait_intervals \\
+        --TARGET_INTERVALS $target_intervals \\
+        --INPUT $bam \\
+        --OUTPUT ${prefix}.CollectHsMetrics.coverage_metrics
+
 
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":
@@ -52,7 +53,7 @@ process PICARD_COLLECTHSMETRICS {
     stub:
     def prefix = task.ext.prefix ?: "${meta.id}"
     """
-    touch ${prefix}_collecthsmetrics.txt
+    touch ${prefix}.CollectHsMetrics.coverage_metrics
 
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":

modules/picard/collecthsmetrics/meta.yml

@@ -57,10 +57,11 @@ output:
       type: file
       description: File containing software versions
       pattern: "versions.yml"
-  - hs_metrics:
+  - metrics:
       type: file
-      description: The metrics file.
-      pattern: "*_collecthsmetrics.txt"
+      description: Alignment metrics files generated by picard
+      pattern: "*_{metrics}"
 
 authors:
   - "@projectoriented"
+  - "@matthdsm"

modules/picard/collectmultiplemetrics/main.nf

@@ -2,10 +2,10 @@ process PICARD_COLLECTMULTIPLEMETRICS {
     tag "$meta.id"
     label 'process_medium'
 
-    conda (params.enable_conda ? "bioconda::picard=2.26.10" : null)
+    conda (params.enable_conda ? "bioconda::picard=2.27.1" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/picard:2.26.10--hdfd78af_0' :
-        'quay.io/biocontainers/picard:2.26.10--hdfd78af_0' }"
+        'https://depot.galaxyproject.org/singularity/picard:2.27.1--hdfd78af_0' :
+        'quay.io/biocontainers/picard:2.27.1--hdfd78af_0' }"
 
     input:
     tuple val(meta), path(bam)
@@ -33,9 +33,9 @@ process PICARD_COLLECTMULTIPLEMETRICS {
         -Xmx${avail_mem}g \\
         CollectMultipleMetrics \\
         $args \\
-        INPUT=$bam \\
-        OUTPUT=${prefix}.CollectMultipleMetrics \\
-        REFERENCE_SEQUENCE=$fasta
+        --INPUT $bam \\
+        --OUTPUT ${prefix}.CollectMultipleMetrics \\
+        --REFERENCE_SEQUENCE $fasta
 
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":

modules/picard/collectwgsmetrics/main.nf

@@ -2,13 +2,13 @@ process PICARD_COLLECTWGSMETRICS {
     tag "$meta.id"
     label 'process_medium'
 
-    conda (params.enable_conda ? "bioconda::picard=2.26.10" : null)
+    conda (params.enable_conda ? "bioconda::picard=2.27.1" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/picard:2.26.10--hdfd78af_0' :
-        'quay.io/biocontainers/picard:2.26.10--hdfd78af_0' }"
+        'https://depot.galaxyproject.org/singularity/picard:2.27.1--hdfd78af_0' :
+        'quay.io/biocontainers/picard:2.27.1--hdfd78af_0' }"
 
     input:
-    tuple val(meta), path(bam), path(bai)
+    tuple val(meta), path(bam)
     path  fasta
 
     output:
@@ -32,9 +32,10 @@ process PICARD_COLLECTWGSMETRICS {
         -Xmx${avail_mem}g \\
         CollectWgsMetrics \\
         $args \\
-        INPUT=$bam \\
-        OUTPUT=${prefix}.CollectWgsMetrics.coverage_metrics \\
-        REFERENCE_SEQUENCE=$fasta
+        --INPUT $bam \\
+        --OUTPUT ${prefix}.CollectWgsMetrics.coverage_metrics \\
+        --REFERENCE_SEQUENCE $fasta
+
 
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":

modules/picard/createsequencedictionary/main.nf

@@ -2,10 +2,10 @@ process PICARD_CREATESEQUENCEDICTIONARY {
     tag "$meta.id"
     label 'process_medium'
 
-    conda (params.enable_conda ? "bioconda::picard=2.26.9" : null)
+    conda (params.enable_conda ? "bioconda::picard=2.27.1" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/picard:2.26.9--hdfd78af_0' :
-        'quay.io/biocontainers/picard:2.26.9--hdfd78af_0' }"
+        'https://depot.galaxyproject.org/singularity/picard:2.27.1--hdfd78af_0' :
+        'quay.io/biocontainers/picard:2.27.1--hdfd78af_0' }"
 
     input:
     tuple val(meta), path(fasta)
@@ -31,8 +31,8 @@ process PICARD_CREATESEQUENCEDICTIONARY {
         -Xmx${avail_mem}g \\
         CreateSequenceDictionary  \\
         $args \\
-        R=$fasta \\
-        O=${prefix}.dict
+        --REFERENCE $fasta \\
+        --OUTPUT ${prefix}.dict
 
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":

modules/picard/crosscheckfingerprints/main.nf

@@ -2,10 +2,10 @@ process PICARD_CROSSCHECKFINGERPRINTS {
     tag "$meta.id"
     label 'process_medium'
 
-    conda (params.enable_conda ? "bioconda::picard=2.26.10" : null)
+    conda (params.enable_conda ? "bioconda::picard=2.27.1" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/picard:2.26.10--hdfd78af_0' :
-        'quay.io/biocontainers/picard:2.26.10--hdfd78af_0' }"
+        'https://depot.galaxyproject.org/singularity/picard:2.27.1--hdfd78af_0' :
+        'quay.io/biocontainers/picard:2.27.1--hdfd78af_0' }"
 
     input:
     tuple val(meta), path(input1)

modules/picard/filtersamreads/main.nf

@@ -2,10 +2,10 @@ process PICARD_FILTERSAMREADS {
     tag "$meta.id"
     label 'process_low'
 
-    conda (params.enable_conda ? "bioconda::picard=2.26.10" : null)
+    conda (params.enable_conda ? "bioconda::picard=2.27.1" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/picard:2.26.10--hdfd78af_0' :
-        'quay.io/biocontainers/picard:2.26.10--hdfd78af_0' }"
+        'https://depot.galaxyproject.org/singularity/picard:2.27.1--hdfd78af_0' :
+        'quay.io/biocontainers/picard:2.27.1--hdfd78af_0' }"
 
     input:
     tuple val(meta), path(bam), path(readlist)

modules/picard/fixmateinformation/main.nf

@@ -2,10 +2,10 @@ process PICARD_FIXMATEINFORMATION {
     tag "$meta.id"
     label 'process_low'
 
-    conda (params.enable_conda ? "bioconda::picard=2.26.9" : null)
+    conda (params.enable_conda ? "bioconda::picard=2.27.1" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/picard:2.26.9--hdfd78af_0' :
-        'quay.io/biocontainers/picard:2.26.9--hdfd78af_0' }"
+        'https://depot.galaxyproject.org/singularity/picard:2.27.1--hdfd78af_0' :
+        'quay.io/biocontainers/picard:2.27.1--hdfd78af_0' }"
 
     input:
     tuple val(meta), path(bam)
@@ -31,8 +31,8 @@ process PICARD_FIXMATEINFORMATION {
     picard \\
         FixMateInformation \\
         -Xmx${avail_mem}g \\
-        -I ${bam} \\
-        -O ${prefix}.bam \\
+        --INPUT ${bam} \\
+        --OUTPUT ${prefix}.bam \\
         --VALIDATION_STRINGENCY ${STRINGENCY}
 
     cat <<-END_VERSIONS > versions.yml

modules/picard/liftovervcf/main.nf

@@ -2,10 +2,10 @@ process PICARD_LIFTOVERVCF {
     tag "$meta.id"
     label 'process_low'
 
-    conda (params.enable_conda ? "bioconda::picard=2.26.10" : null)
+    conda (params.enable_conda ? "bioconda::picard=2.27.1" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/picard:2.26.10--hdfd78af_0' :
-        'quay.io/biocontainers/picard:2.26.10--hdfd78af_0' }"
+        'https://depot.galaxyproject.org/singularity/picard:2.27.1--hdfd78af_0' :
+        'quay.io/biocontainers/picard:2.27.1--hdfd78af_0' }"
 
     input:
     tuple val(meta), path(input_vcf)
@@ -35,11 +35,11 @@ process PICARD_LIFTOVERVCF {
         -Xmx${avail_mem}g \\
         LiftoverVcf \\
         $args \\
-        I=$input_vcf \\
-        O=${prefix}.lifted.vcf.gz \\
-        CHAIN=$chain \\
-        REJECT=${prefix}.unlifted.vcf.gz \\
-        R=$fasta
+        --INPUT $input_vcf \\
+        --OUTPUT ${prefix}.lifted.vcf.gz \\
+        --CHAIN $chain \\
+        --REJECT ${prefix}.unlifted.vcf.gz \\
+        --REFERENCE_SEQUENCE $fasta
 
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":

modules/picard/markduplicates/main.nf

@@ -2,10 +2,10 @@ process PICARD_MARKDUPLICATES {
     tag "$meta.id"
     label 'process_medium'
 
-    conda (params.enable_conda ? "bioconda::picard=2.26.10" : null)
+    conda (params.enable_conda ? "bioconda::picard=2.27.1" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/picard:2.26.10--hdfd78af_0' :
-        'quay.io/biocontainers/picard:2.26.10--hdfd78af_0' }"
+        'https://depot.galaxyproject.org/singularity/picard:2.27.1--hdfd78af_0' :
+        'quay.io/biocontainers/picard:2.27.1--hdfd78af_0' }"
 
     input:
     tuple val(meta), path(bam)
@@ -33,9 +33,9 @@ process PICARD_MARKDUPLICATES {
         -Xmx${avail_mem}g \\
         MarkDuplicates \\
         $args \\
-        I=$bam \\
-        O=${prefix}.bam \\
-        M=${prefix}.MarkDuplicates.metrics.txt
+        --INPUT $bam \\
+        --OUTPUT ${prefix}.bam \\
+        --METRICS_FILE ${prefix}.MarkDuplicates.metrics.txt
 
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":

modules/picard/mergesamfiles/main.nf

@@ -2,10 +2,10 @@ process PICARD_MERGESAMFILES {
     tag "$meta.id"
     label 'process_medium'
 
-    conda (params.enable_conda ? "bioconda::picard=2.26.10" : null)
+    conda (params.enable_conda ? "bioconda::picard=2.27.1" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/picard:2.26.10--hdfd78af_0' :
-        'quay.io/biocontainers/picard:2.26.10--hdfd78af_0' }"
+        'https://depot.galaxyproject.org/singularity/picard:2.27.1--hdfd78af_0' :
+        'quay.io/biocontainers/picard:2.27.1--hdfd78af_0' }"
 
     input:
     tuple val(meta), path(bams)
@@ -33,8 +33,8 @@ process PICARD_MERGESAMFILES {
             -Xmx${avail_mem}g \\
             MergeSamFiles \\
             $args \\
-            ${'INPUT='+bam_files.join(' INPUT=')} \\
-            OUTPUT=${prefix}.bam
+            ${'--INPUT '+bam_files.join(' --INPUT ')} \\
+            --OUTPUT ${prefix}.bam
         cat <<-END_VERSIONS > versions.yml
         "${task.process}":
             picard: \$( echo \$(picard MergeSamFiles --version 2>&1) | grep -o 'Version:.*' | cut -f2- -d:)

modules/picard/sortsam/main.nf

@@ -2,10 +2,10 @@ process PICARD_SORTSAM {
     tag "$meta.id"
     label 'process_low'
 
-    conda (params.enable_conda ? "bioconda::picard=2.26.10" : null)
+    conda (params.enable_conda ? "bioconda::picard=2.27.1" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/picard:2.26.10--hdfd78af_0' :
-        'quay.io/biocontainers/picard:2.26.10--hdfd78af_0' }"
+        'https://depot.galaxyproject.org/singularity/picard:2.27.1--hdfd78af_0' :
+        'quay.io/biocontainers/picard:2.27.1--hdfd78af_0' }"
 
     input:
     tuple val(meta), path(bam)

modules/picard/sortvcf/main.nf

@@ -2,10 +2,10 @@ process PICARD_SORTVCF {
     tag "$meta.id"
     label 'process_medium'
 
-    conda (params.enable_conda ? "bioconda::picard=2.26.10" : null)
+    conda (params.enable_conda ? "bioconda::picard=2.27.1" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/picard:2.26.10--hdfd78af_0' :
-        'quay.io/biocontainers/picard:2.26.10--hdfd78af_0' }"
+        'https://depot.galaxyproject.org/singularity/picard:2.27.1--hdfd78af_0' :
+        'quay.io/biocontainers/picard:2.27.1--hdfd78af_0' }"
 
     input:
     tuple val(meta), path(vcf)
@@ -22,8 +22,8 @@ process PICARD_SORTVCF {
     script:
     def args = task.ext.args ?: ''
     def prefix = task.ext.prefix ?: "${meta.id}"
-    def seq_dict = sequence_dict ? "-SEQUENCE_DICTIONARY $sequence_dict" : ""
-    def reference = reference ? "-REFERENCE_SEQUENCE $reference" : ""
+    def seq_dict = sequence_dict ? "--SEQUENCE_DICTIONARY $sequence_dict" : ""
+    def reference = reference ? "--REFERENCE_SEQUENCE $reference" : ""
     def avail_mem = 3
     if (!task.memory) {
         log.info '[Picard SortVcf] Available memory not known - defaulting to 3GB. Specify process memory requirements to change this.'

modules/rsem/calculateexpression/main.nf

@@ -2,10 +2,10 @@ process RSEM_CALCULATEEXPRESSION {
     tag "$meta.id"
     label 'process_high'
 
-    conda (params.enable_conda ? "bioconda::rsem=1.3.3 bioconda::star=2.7.6a" : null)
+    conda (params.enable_conda ? "bioconda::rsem=1.3.3 bioconda::star=2.7.10a" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/mulled-v2-cf0123ef83b3c38c13e3b0696a3f285d3f20f15b:606b713ec440e799d53a2b51a6e79dbfd28ecf3e-0' :
-        'quay.io/biocontainers/mulled-v2-cf0123ef83b3c38c13e3b0696a3f285d3f20f15b:606b713ec440e799d53a2b51a6e79dbfd28ecf3e-0' }"
+        'https://depot.galaxyproject.org/singularity/mulled-v2-cf0123ef83b3c38c13e3b0696a3f285d3f20f15b:64aad4a4e144878400649e71f42105311be7ed87-0' :
+        'quay.io/biocontainers/mulled-v2-cf0123ef83b3c38c13e3b0696a3f285d3f20f15b:64aad4a4e144878400649e71f42105311be7ed87-0' }"
 
     input:
     tuple val(meta), path(reads)

modules/rsem/preparereference/main.nf

@@ -2,10 +2,10 @@ process RSEM_PREPAREREFERENCE {
     tag "$fasta"
     label 'process_high'
 
-    conda (params.enable_conda ? "bioconda::rsem=1.3.3 bioconda::star=2.7.6a" : null)
+    conda (params.enable_conda ? "bioconda::rsem=1.3.3 bioconda::star=2.7.10a" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/mulled-v2-cf0123ef83b3c38c13e3b0696a3f285d3f20f15b:606b713ec440e799d53a2b51a6e79dbfd28ecf3e-0' :
-        'quay.io/biocontainers/mulled-v2-cf0123ef83b3c38c13e3b0696a3f285d3f20f15b:606b713ec440e799d53a2b51a6e79dbfd28ecf3e-0' }"
+        'https://depot.galaxyproject.org/singularity/mulled-v2-cf0123ef83b3c38c13e3b0696a3f285d3f20f15b:64aad4a4e144878400649e71f42105311be7ed87-0' :
+        'quay.io/biocontainers/mulled-v2-cf0123ef83b3c38c13e3b0696a3f285d3f20f15b:64aad4a4e144878400649e71f42105311be7ed87-0' }"
 
     input:
     path fasta, stageAs: "rsem/*"

modules/samtools/bamtocram/main.nf

@@ -0,0 +1,35 @@
+//There is a -L option to only output alignments in interval, might be an option for exons/panel data?
+process SAMTOOLS_BAMTOCRAM {
+    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
+    path  fai
+
+    output:
+    tuple val(meta), path("*.cram"), path("*.crai"), emit: cram_crai
+    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}"
+    """
+    samtools view --threads ${task.cpus} --reference ${fasta} -C $args $input > ${prefix}.cram
+    samtools index -@${task.cpus} ${prefix}.cram
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//')
+    END_VERSIONS
+    """
+}

modules/samtools/bamtocram/meta.yml

@@ -0,0 +1,52 @@
+name: samtools_bamtocram
+description: filter/convert and then index CRAM file
+keywords:
+  - view
+  - index
+  - bam
+  - 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/SAM file
+      pattern: "*.{bam,sam}"
+  - index:
+      type: file
+      description: BAM/SAM index file
+      pattern: "*.{bai,sai}"
+  - fasta:
+      type: file
+      description: Reference file to create the CRAM file
+      pattern: "*.{fasta,fa}"
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - cram_crai:
+      type: file
+      description: filtered/converted CRAM file + index
+      pattern: "*{.cram,.crai}"
+  - version:
+      type: file
+      description: File containing software version
+      pattern: "*.{version.txt}"
+authors:
+  - "@FriederikeHanssen"
+  - "@maxulysse"

modules/samtools/collatefastq/main.nf

@@ -0,0 +1,47 @@
+process SAMTOOLS_COLLATEFASTQ {
+    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:
+    //TODO might be good to have ordered output of the fastq files, so we can
+    // make sure the we get the right files
+    tuple val(meta), path("*_{1,2}.fq.gz"), path("*_other.fq.gz"), path("*_singleton.fq.gz"), emit: reads
+    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 prefix = task.ext.prefix ?: "${meta.id}"
+    """
+    samtools collate \\
+        $args \\
+        --threads $task.cpus \\
+        -O \\
+        $input \\
+        . |
+
+    samtools fastq \\
+        $args2 \\
+        --threads $task.cpus \\
+        -1 ${prefix}_1.fq.gz \\
+        -2 ${prefix}_2.fq.gz \\
+        -0 ${prefix}_other.fq.gz \\
+        -s ${prefix}_singleton.fq.gz
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//')
+    END_VERSIONS
+    """
+}

modules/samtools/collatefastq/meta.yml

@@ -0,0 +1,48 @@
+name: samtools_collatefastq
+description: |
+  The module uses collate and then fastq methods 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 ]
+  - input:
+      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 ]
+  - 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"
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+
+authors:
+  - "@lescai"
+  - "@maxulysse"

modules/samtools/view/main.nf

@@ -8,7 +8,7 @@ process SAMTOOLS_VIEW {
         'quay.io/biocontainers/samtools:1.15.1--h1170115_0' }"
 
     input:
-    tuple val(meta), path(input)
+    tuple val(meta), path(input), path(index)
     path fasta
 
     output:

modules/samtools/view/meta.yml

@@ -25,6 +25,10 @@ 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

modules/stranger/main.nf

@@ -9,6 +9,7 @@ process STRANGER {
 
     input:
     tuple val(meta), path(vcf)
+    path variant_catalog
 
     output:
     tuple val(meta), path("*.gz"), emit: vcf
@@ -20,10 +21,23 @@ process STRANGER {
     script:
     def args = task.ext.args ?: ''
     def prefix = task.ext.prefix ?: "${meta.id}"
+    def options_variant_catalog = variant_catalog ? "--repeats-file $variant_catalog" : ""
     """
     stranger \\
         $args \\
-        $vcf | gzip --no-name > ${prefix}.vcf.gz
+        $vcf \\
+        $options_variant_catalog | gzip --no-name > ${prefix}.vcf.gz
+
+    cat <<-END_VERSIONS > versions.yml
+    "${task.process}":
+        stranger: \$( stranger --version )
+    END_VERSIONS
+    """
+
+    stub:
+    def prefix = task.ext.prefix ?: "${meta.id}"
+    """
+    touch ${prefix}.vcf.gz
 
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":

modules/stranger/meta.yml

@@ -24,6 +24,10 @@ input:
       type: file
       description: VCF with repeat expansions
       pattern: "*.{vcf.gz,vcf}"
+  - variant_catalog:
+      type: file
+      description: json file with repeat expansion sites to genotype
+      pattern: "*.{json}"
 
 output:
   - meta:

modules/stringtie/merge/main.nf

@@ -2,10 +2,10 @@ process STRINGTIE_MERGE {
     label 'process_medium'
 
     // Note: 2.7X indices incompatible with AWS iGenomes.
-    conda     (params.enable_conda ? "bioconda::stringtie=2.1.7" : null)
+    conda     (params.enable_conda ? "bioconda::stringtie=2.2.1" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/stringtie:2.1.7--h978d192_0' :
-        'quay.io/biocontainers/stringtie:2.1.7--h978d192_0' }"
+        'https://depot.galaxyproject.org/singularity/stringtie:2.2.1--hecb563c_2' :
+        'quay.io/biocontainers/stringtie:2.2.1--hecb563c_2' }"
 
     input:
     path stringtie_gtf

modules/stringtie/stringtie/main.nf

@@ -1,11 +1,11 @@
-process STRINGTIE {
+process STRINGTIE_STRINGTIE {
     tag "$meta.id"
     label 'process_medium'
 
-    conda (params.enable_conda ? "bioconda::stringtie=2.1.7" : null)
+    conda (params.enable_conda ? "bioconda::stringtie=2.2.1" : null)
     container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
-        'https://depot.galaxyproject.org/singularity/stringtie:2.1.7--h978d192_0' :
-        'quay.io/biocontainers/stringtie:2.1.7--h978d192_0' }"
+        'https://depot.galaxyproject.org/singularity/stringtie:2.2.1--hecb563c_2' :
+        'quay.io/biocontainers/stringtie:2.2.1--hecb563c_2' }"
 
     input:
     tuple val(meta), path(bam)

modules/stringtie/stringtie/meta.yml

@@ -1,4 +1,4 @@
-name: stringtie
+name: stringtie_stringtie
 description: Transcript assembly and quantification for RNA-Se
 keywords:
   - transcript

modules/tabix/bgzip/main.nf

@@ -11,17 +11,20 @@ process TABIX_BGZIP {
     tuple val(meta), path(input)
 
     output:
-    tuple val(meta), path("*.gz"), emit: gz
-    path  "versions.yml"         , emit: versions
+    tuple val(meta), path("${prefix}*"), 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 ?: "${meta.id}"
+    prefix   = task.ext.prefix ?: "${meta.id}"
+    in_bgzip = input.toString().endsWith(".gz")
+    command1 = in_bgzip ? '-d' : '-c'
+    command2 = in_bgzip ? ''   : " > ${prefix}.${input.getExtension()}.gz"
     """
-    bgzip -c $args $input > ${prefix}.${input.getExtension()}.gz
+    bgzip $command1 $args -@${task.cpus} $input $command2
 
     cat <<-END_VERSIONS > versions.yml
     "${task.process}":

modules/tabix/bgzip/meta.yml

@@ -1,13 +1,14 @@
 name: tabix_bgzip
-description: Compresses files
+description: Compresses/decompresses files
 keywords:
   - compress
+  - decompress
   - bgzip
   - tabix
 tools:
   - bgzip:
       description: |
-        Bgzip compresses files in a similar manner to, and compatible with, gzip.
+        Bgzip compresses or decompresses files in a similar manner to, and compatible with, gzip.
       homepage: https://www.htslib.org/doc/tabix.html
       documentation: http://www.htslib.org/doc/bgzip.html
       doi: 10.1093/bioinformatics/btp352
@@ -18,19 +19,19 @@ input:
       description: |
         Groovy Map containing sample information
         e.g. [ id:'test', single_end:false ]
-  - file:
+  - input:
       type: file
-      description: text file
+      description: file to compress or to decompress
 output:
   - meta:
       type: map
       description: |
         Groovy Map containing sample information
         e.g. [ id:'test', single_end:false ]
-  - file:
+  - output:
       type: file
-      description: Output compressed file
-      pattern: "*.{gz}"
+      description: Output compressed/decompressed file
+      pattern: "*."
   - versions:
       type: file
       description: File containing software versions

modules/tabix/tabix/main.nf

@@ -11,7 +11,8 @@ process TABIX_TABIX {
     tuple val(meta), path(tab)
 
     output:
-    tuple val(meta), path("*.tbi"), emit: tbi
+    tuple val(meta), path("*.tbi"), optional:true, emit: tbi
+    tuple val(meta), path("*.csi"), optional:true, emit: csi
     path  "versions.yml"          , emit: versions
 
     when:

modules/tabix/tabix/meta.yml

@@ -31,6 +31,10 @@ output:
       type: file
       description: tabix index file
       pattern: "*.{tbi}"
+  - csi:
+      type: file
+      description: coordinate sorted index file
+      pattern: "*.{csi}"
   - versions:
       type: file
       description: File containing software versions

modules/tiddit/sv/main.nf

@@ -24,7 +24,7 @@ process TIDDIT_SV {
     script:
     def args = task.ext.args ?: ''
     def prefix = task.ext.prefix ?: "${meta.id}"
-    def reference = fasta == "dummy_file.txt" ? "--ref $fasta" : ""
+    def reference = fasta ? "--ref $fasta" : ""
     """
     tiddit \\
         --sv \\

modules/trimgalore/main.nf

@@ -11,12 +11,13 @@ process TRIMGALORE {
     tuple val(meta), path(reads)
 
     output:
-    tuple val(meta), path("*.fq.gz")    , emit: reads
-    tuple val(meta), path("*report.txt"), emit: log
-    path "versions.yml"                 , emit: versions
+    tuple val(meta), path("*{trimmed,val}*.fq.gz"), emit: reads
+    tuple val(meta), path("*report.txt")          , emit: log
+    path "versions.yml"                           , emit: versions
 
-    tuple val(meta), path("*.html"), emit: html optional true
-    tuple val(meta), path("*.zip") , emit: zip optional true
+    tuple val(meta), path("*unpaired*.fq.gz")     , emit: unpaired, optional: true
+    tuple val(meta), path("*.html")               , emit: html    , optional: true
+    tuple val(meta), path("*.zip")                , emit: zip     , optional: true
 
     when:
     task.ext.when == null || task.ext.when
@@ -52,6 +53,7 @@ process TRIMGALORE {
             $c_r1 \\
             $tpc_r1 \\
             ${prefix}.fastq.gz
+
         cat <<-END_VERSIONS > versions.yml
         "${task.process}":
             trimgalore: \$(echo \$(trim_galore --version 2>&1) | sed 's/^.*version //; s/Last.*\$//')
@@ -73,6 +75,7 @@ process TRIMGALORE {
             $tpc_r2 \\
             ${prefix}_1.fastq.gz \\
             ${prefix}_2.fastq.gz
+
         cat <<-END_VERSIONS > versions.yml
         "${task.process}":
             trimgalore: \$(echo \$(trim_galore --version 2>&1) | sed 's/^.*version //; s/Last.*\$//')

modules/trimgalore/meta.yml

@@ -37,6 +37,11 @@ output:
         List of input adapter trimmed FastQ files of size 1 and 2 for
         single-end and paired-end data, respectively.
       pattern: "*.{fq.gz}"
+  - unpaired:
+      type: file
+      description: |
+        FastQ files containing unpaired reads from read 1 or read 2
+      pattern: "*unpaired*.fq.gz"
   - html:
       type: file
       description: FastQC report (optional)

modules/untar/main.nf

@@ -2,10 +2,10 @@ process UNTAR {
     tag "$archive"
     label 'process_low'
 
-    conda (params.enable_conda ? "conda-forge::tar=1.34" : 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_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(archive)

subworkflows/nf-core/bam_qc_picard/main.nf

@@ -0,0 +1,41 @@
+//
+// Run QC steps on BAM/CRAM files using Picard
+//
+
+include { PICARD_COLLECTMULTIPLEMETRICS } from '../../../modules/picard/collectmultiplemetrics/main'
+include { PICARD_COLLECTWGSMETRICS      } from '../../../modules/picard/collectwgsmetrics/main'
+include { PICARD_COLLECTHSMETRICS       } from '../../../modules/picard/collecthsmetrics/main'
+
+workflow BAM_QC_PICARD {
+    take:
+    ch_bam              // channel: [ val(meta), [ bam ]]
+    ch_fasta            // channel: [ fasta ]
+    ch_fasta_fai        // channel: [ fasta_fai ]
+    ch_bait_interval    // channel: [ bait_interval ]
+    ch_target_interval  // channel: [ target_interval ]
+
+    main:
+    ch_versions = Channel.empty()
+    ch_coverage_metrics = Channel.empty()
+
+    PICARD_COLLECTMULTIPLEMETRICS( ch_bam, ch_fasta )
+    ch_versions = ch_versions.mix(PICARD_COLLECTMULTIPLEMETRICS.out.versions.first())
+
+    if (ch_bait_interval || ch_target_interval) {
+        if (!ch_bait_interval) log.error("Bait interval channel is empty")
+        if (!ch_target_interval) log.error("Target interval channel is empty")
+        PICARD_COLLECTHSMETRICS( ch_bam, ch_fasta, ch_fasta_fai, ch_bait_interval, ch_target_interval )
+        ch_coverage_metrics = ch_coverage_metrics.mix(PICARD_COLLECTHSMETRICS.out.metrics)
+        ch_versions = ch_versions.mix(PICARD_COLLECTHSMETRICS.out.versions.first())
+    } else {
+        PICARD_COLLECTWGSMETRICS( ch_bam, ch_fasta )
+        ch_versions = ch_versions.mix(PICARD_COLLECTWGSMETRICS.out.versions.first())
+        ch_coverage_metrics = ch_coverage_metrics.mix(PICARD_COLLECTWGSMETRICS.out.metrics)
+    }
+
+    emit:
+    coverage_metrics    = ch_coverage_metrics                       // channel: [ val(meta), [ coverage_metrics ] ]
+    multiple_metrics    = PICARD_COLLECTMULTIPLEMETRICS.out.metrics // channel: [ val(meta), [ multiple_metrics ] ]
+
+    versions            = ch_versions                               // channel: [ versions.yml ]
+}

subworkflows/nf-core/bam_qc_picard/meta.yml

@@ -0,0 +1,60 @@
+name: bam_qc
+description: Produces comprehensive statistics from BAM file
+keywords:
+  - statistics
+  - counts
+  - hs_metrics
+  - wgs_metrics
+  - bam
+  - sam
+  - cram
+modules:
+  - picard/collectmultiplemetrics
+  - picard/collectwgsmetrics
+  - picard/collecthsmetrics
+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}"
+  - fasta:
+      type: optional file
+      description: Reference fasta file
+      pattern: "*.{fasta,fa}"
+  - fasta_fai:
+      type: optional file
+      description: Reference fasta file index
+      pattern: "*.{fasta,fa}.fai"
+  - bait_intervals:
+      type: optional file
+      description: An interval list file that contains the locations of the baits used.
+      pattern: "baits.interval_list"
+  - target_intervals:
+      type: optional file
+      description: An interval list file that contains the locations of the targets.
+      pattern: "targets.interval_list"
+output:
+  - meta:
+      type: map
+      description: |
+        Groovy Map containing sample information
+        e.g. [ id:'test', single_end:false ]
+  - coverage_metrics:
+      type: file
+      description: Alignment metrics files generated by picard CollectHsMetrics or CollectWgsMetrics
+      pattern: "*_metrics.txt"
+  - multiple_metrics:
+      type: file
+      description: Alignment metrics files generated by picard CollectMultipleMetrics
+      pattern: "*_{metrics}"
+  - versions:
+      type: file
+      description: File containing software versions
+      pattern: "versions.yml"
+authors:
+  - "@matthdsm"

tests/config/pytest_modules.yml

@@ -26,6 +26,10 @@ allelecounter:
   - modules/allelecounter/**
   - tests/modules/allelecounter/**
 
+amplify/predict:
+  - modules/amplify/predict/**
+  - tests/modules/amplify/predict/**
+
 amps:
   - modules/amps/**
   - tests/modules/amps/**
@@ -38,6 +42,10 @@ amrfinderplus/update:
   - modules/amrfinderplus/update/**
   - tests/modules/amrfinderplus/update/**
 
+antismash/antismashlitedownloaddatabases:
+  - modules/antismash/antismashlitedownloaddatabases/**
+  - tests/modules/antismash/antismashlitedownloaddatabases/**
+
 arriba:
   - modules/arriba/**
   - tests/modules/arriba/**
@@ -166,6 +174,10 @@ bcftools/view:
   - modules/bcftools/view/**
   - tests/modules/bcftools/view/**
 
+bclconvert:
+  - modules/bclconvert/**
+  - tests/modules/bclconvert/**
+
 bedtools/bamtobed:
   - modules/bedtools/bamtobed/**
   - tests/modules/bedtools/bamtobed/**
@@ -587,6 +599,18 @@ ectyper:
   - modules/ectyper/**
   - tests/modules/ectyper/**
 
+elprep/filter:
+  - modules/elprep/filter/**
+  - tests/modules/elprep/filter/**
+
+elprep/merge:
+  - modules/elprep/merge/**
+  - tests/modules/elprep/merge/**
+
+elprep/split:
+  - modules/elprep/split/**
+  - tests/modules/elprep/split/**
+
 emmtyper:
   - modules/emmtyper/**
   - tests/modules/emmtyper/**
@@ -655,10 +679,18 @@ freebayes:
   - modules/freebayes/**
   - tests/modules/freebayes/**
 
+gamma:
+  - modules/gamma/**
+  - tests/modules/gamma/**
+
 gatk4/applybqsr:
   - modules/gatk4/applybqsr/**
   - tests/modules/gatk4/applybqsr/**
 
+gatk4/applybqsrspark:
+  - modules/gatk4/applybqsrspark/**
+  - tests/modules/gatk4/applybqsrspark/**
+
 gatk4/applyvqsr:
   - modules/gatk4/applyvqsr/**
   - tests/modules/gatk4/applyvqsr/**
@@ -667,6 +699,10 @@ gatk4/baserecalibrator:
   - modules/gatk4/baserecalibrator/**
   - tests/modules/gatk4/baserecalibrator/**
 
+gatk4/baserecalibratorspark:
+  - modules/gatk4/baserecalibratorspark/**
+  - tests/modules/gatk4/baserecalibratorspark/**
+
 gatk4/bedtointervallist:
   - modules/gatk4/bedtointervallist/**
   - tests/modules/gatk4/bedtointervallist/**
@@ -743,6 +779,10 @@ gatk4/markduplicates:
   - modules/gatk4/markduplicates/**
   - tests/modules/gatk4/markduplicates/**
 
+gatk4/markduplicatesspark:
+  - modules/gatk4/markduplicatesspark/**
+  - tests/modules/gatk4/markduplicatesspark/**
+
 gatk4/mergebamalignment:
   - modules/gatk4/mergebamalignment/**
   - tests/modules/gatk4/mergebamalignment/**
@@ -977,6 +1017,10 @@ kaiju/kaiju:
   - modules/kaiju/kaiju/**
   - tests/modules/kaiju/kaiju/**
 
+kaiju/kaiju2table:
+  - modules/kaiju/kaiju2table/**
+  - tests/modules/kaiju/kaiju2table/**
+
 kallisto/index:
   - modules/kallisto/index/**
   - tests/modules/kallisto/index/**
@@ -1010,6 +1054,10 @@ krona/ktimporttaxonomy:
   - modules/krona/ktimporttaxonomy/**
   - tests/modules/krona/ktimporttaxonomy/**
 
+krona/ktimporttext:
+  - modules/krona/ktimporttext/**
+  - tests/modules/krona/ktimporttext/**
+
 last/dotplot:
   - modules/last/dotplot/**
   - tests/modules/last/dotplot/**
@@ -1559,6 +1607,14 @@ samtools/bam2fq:
   - modules/samtools/bam2fq/**
   - tests/modules/samtools/bam2fq/**
 
+samtools/bamtocram:
+  - modules/samtools/bamtocram/**
+  - tests/modules/samtools/bamtocram/**
+
+samtools/collatefastq:
+  - modules/samtools/collatefastq/**
+  - tests/modules/samtools/collatefastq/**
+
 samtools/depth:
   - modules/samtools/depth/**
   - tests/modules/samtools/depth/**

tests/config/test_data.config

@@ -14,6 +14,7 @@ params {
                 genome_paf                                     = "${test_data_dir}/genomics/sarscov2/genome/genome.paf"
                 genome_sizes                                   = "${test_data_dir}/genomics/sarscov2/genome/genome.sizes"
                 transcriptome_fasta                            = "${test_data_dir}/genomics/sarscov2/genome/transcriptome.fasta"
+                proteome_fasta                                 = "${test_data_dir}/genomics/sarscov2/genome/proteome.fasta"
                 transcriptome_paf                              = "${test_data_dir}/genomics/sarscov2/genome/transcriptome.paf"
 
                 test_bed                                       = "${test_data_dir}/genomics/sarscov2/genome/bed/test.bed"
@@ -109,9 +110,13 @@ params {
 
                 test_sequencing_summary                        = "${test_data_dir}/genomics/sarscov2/nanopore/sequencing_summary/test.sequencing_summary.txt"
             }
+            'metagenome' {
+                kraken_report                                  = "${test_data_dir}/genomics/sarscov2/metagenome/test_1.kraken2.report.txt"
+            }
         }
         'homo_sapiens' {
             'genome' {
+                genome_elfasta                                 = "${test_data_dir}/genomics/homo_sapiens/genome/genome.elfasta"
                 genome_fasta                                   = "${test_data_dir}/genomics/homo_sapiens/genome/genome.fasta"
                 genome_fasta_fai                               = "${test_data_dir}/genomics/homo_sapiens/genome/genome.fasta.fai"
                 genome_dict                                    = "${test_data_dir}/genomics/homo_sapiens/genome/genome.dict"
@@ -123,6 +128,7 @@ params {
                 genome_header                                  = "${test_data_dir}/genomics/homo_sapiens/genome/genome.header"
                 genome_bed_gz                                  = "${test_data_dir}/genomics/homo_sapiens/genome/genome.bed.gz"
                 genome_bed_gz_tbi                              = "${test_data_dir}/genomics/homo_sapiens/genome/genome.bed.gz.tbi"
+                genome_elsites                                 = "${test_data_dir}/genomics/homo_sapiens/genome/genome.elsites"
                 transcriptome_fasta                            = "${test_data_dir}/genomics/homo_sapiens/genome/transcriptome.fasta"
                 genome2_fasta                                  = "${test_data_dir}/genomics/homo_sapiens/genome/genome2.fasta"
                 genome_chain_gz                                = "${test_data_dir}/genomics/homo_sapiens/genome/genome.chain.gz"
@@ -136,6 +142,7 @@ params {
                 genome_21_multi_interval_bed_gz_tbi            = "${test_data_dir}/genomics/homo_sapiens/genome/chr21/sequence/multi_intervals.bed.gz.tbi"
                 genome_21_chromosomes_dir                      = "${test_data_dir}/genomics/homo_sapiens/genome/chr21/sequence/chromosomes.tar.gz"
 
+                dbsnp_146_hg38_elsites                         = "${test_data_dir}/genomics/homo_sapiens/genome/vcf/dbsnp_146.hg38.elsites"
                 dbsnp_146_hg38_vcf_gz                          = "${test_data_dir}/genomics/homo_sapiens/genome/vcf/dbsnp_146.hg38.vcf.gz"
                 dbsnp_146_hg38_vcf_gz_tbi                      = "${test_data_dir}/genomics/homo_sapiens/genome/vcf/dbsnp_146.hg38.vcf.gz.tbi"
                 gnomad_r2_1_1_vcf_gz                           = "${test_data_dir}/genomics/homo_sapiens/genome/vcf/gnomAD.r2.1.1.vcf.gz"
@@ -242,8 +249,8 @@ params {
                 test2_2_fastq_gz                               = "${test_data_dir}/genomics/homo_sapiens/illumina/fastq/test2_2.fastq.gz"
                 test2_umi_1_fastq_gz                           = "${test_data_dir}/genomics/homo_sapiens/illumina/fastq/test2.umi_1.fastq.gz"
                 test2_umi_2_fastq_gz                           = "${test_data_dir}/genomics/homo_sapiens/illumina/fastq/test2.umi_2.fastq.gz"
-                test_rnaseq_1_fastq_gz                         = "${test_data_dir}/genomics/homo_sapiens/illumina/fastq/test.rnaseq_1.fastq.gz"
-                test_rnaseq_2_fastq_gz                         = "${test_data_dir}/genomics/homo_sapiens/illumina/fastq/test.rnaseq_2.fastq.gz"
+                test_rnaseq_1_fastq_gz                         = "${test_data_dir}/genomics/homo_sapiens/illumina/fastq/test_rnaseq_1.fastq.gz"
+                test_rnaseq_2_fastq_gz                         = "${test_data_dir}/genomics/homo_sapiens/illumina/fastq/test_rnaseq_2.fastq.gz"
 
                 test_baserecalibrator_table                    = "${test_data_dir}/genomics/homo_sapiens/illumina/gatk/test.baserecalibrator.table"
                 test2_baserecalibrator_table                   = "${test_data_dir}/genomics/homo_sapiens/illumina/gatk/test2.baserecalibrator.table"
@@ -332,6 +339,7 @@ params {
         'bacteroides_fragilis' {
             'genome' {
                 genome_fna_gz                   = "${test_data_dir}/genomics/prokaryotes/bacteroides_fragilis/genome/genome.fna.gz"
+                genome_gbff_gz                  = "${test_data_dir}/genomics/prokaryotes/bacteroides_fragilis/genome/genome.gbff.gz"
                 genome_paf                      = "${test_data_dir}/genomics/prokaryotes/bacteroides_fragilis/genome/genome.paf"
                 genome_mapping_potential_arg    = "${test_data_dir}/genomics/prokaryotes/bacteroides_fragilis/genome/genome.mapping.potential.ARG"
 
@@ -397,7 +405,7 @@ params {
                 hello = "${test_data_dir}/generic/txt/hello.txt"
             }
             'cnn' {
-                 reference = "${test_data_dir}/generic/cnn/reference.cnn"
+                reference = "${test_data_dir}/generic/cnn/reference.cnn"
             }
             'cooler'{
                 test_pairix_pair_gz                           = "${test_data_dir}/genomics/homo_sapiens/cooler/cload/hg19/hg19.GM12878-MboI.pairs.subsample.blksrt.txt.gz"

tests/modules/amplify/predict/main.nf

@@ -0,0 +1,18 @@
+#!/usr/bin/env nextflow
+
+nextflow.enable.dsl = 2
+
+include { PRODIGAL } from '../../../modules/prodigal/main.nf' addParams( options: [:] )
+include { AMPLIFY_PREDICT } from '../../../../modules/amplify/predict/main.nf' addParams( options: [:] )
+
+workflow amplify_predict {
+    
+    input = [
+        [ id:'test', single_end:false ], // meta map
+        file(params.test_data['sarscov2']['illumina']['contigs_fasta'], checkIfExists: true)
+    ]
+    model_dir = []
+
+    PRODIGAL ( input, "gff" )
+    AMPLIFY_PREDICT ( PRODIGAL.out.amino_acid_fasta, model_dir)
+}

tests/modules/amplify/predict/nextflow.config

@@ -0,0 +1,5 @@
+process {
+
+    publishDir = { "${params.outdir}/${task.process.tokenize(':')[-1].tokenize('_')[0].toLowerCase()}" }
+    
+}

tests/modules/amplify/predict/test.yml

@@ -0,0 +1,9 @@
+- name: amplify predict amplify_predict
+  command: nextflow run tests/modules/amplify/predict -entry amplify_predict -c tests/config/nextflow.config
+  tags:
+    - amplify/predict
+    - amplify
+  files:
+    - path: output/amplify/test.tsv
+      md5sum: 1951084ce1d410028be86754997e5852
+    - path: output/amplify/versions.yml

tests/modules/antismash/antismashlitedownloaddatabases/main.nf

@@ -0,0 +1,29 @@
+#!/usr/bin/env nextflow
+
+nextflow.enable.dsl = 2
+
+include { UNTAR as UNTAR1 } from '../../../../modules/untar/main.nf'
+include { UNTAR as UNTAR2 } from '../../../../modules/untar/main.nf'
+include { UNTAR as UNTAR3 } from '../../../../modules/untar/main.nf'
+include { ANTISMASH_ANTISMASHLITEDOWNLOADDATABASES } from '../../../../modules/antismash/antismashlitedownloaddatabases/main.nf'
+
+workflow test_antismash_antismashlitedownloaddatabases {
+    input1 = [
+        [],
+        file('https://github.com/nf-core/test-datasets/raw/modules/data/delete_me/antismash/css.tar.gz', checkIfExists: true)
+    ]
+    input2 = [
+        [],
+        file('https://github.com/nf-core/test-datasets/raw/modules/data/delete_me/antismash/detection.tar.gz', checkIfExists: true)
+    ]
+    input3 = [
+        [],
+        file('https://github.com/nf-core/test-datasets/raw/modules/data/delete_me/antismash/modules.tar.gz', checkIfExists: true)
+    ]
+
+    UNTAR1 ( input1 )
+    UNTAR2 ( input2 )
+    UNTAR3 ( input3 )
+
+    ANTISMASH_ANTISMASHLITEDOWNLOADDATABASES ( UNTAR1.out.untar.map{ it[1] },  UNTAR2.out.untar.map{ it[1] }, UNTAR3.out.untar.map{ it[1] } )
+}

tests/modules/antismash/antismashlitedownloaddatabases/nextflow.config

@@ -0,0 +1,5 @@
+process {
+
+    publishDir = { "${params.outdir}/${task.process.tokenize(':')[-1].tokenize('_')[0].toLowerCase()}" }
+    
+}

tests/modules/antismash/antismashlitedownloaddatabases/test.yml

@@ -0,0 +1,17 @@
+- name: antismash antismashlitedownloaddatabases test_antismash_antismashlitedownloaddatabases
+  command: nextflow run tests/modules/antismash/antismashlitedownloaddatabases -entry test_antismash_antismashlitedownloaddatabases -c tests/config/nextflow.config
+  tags:
+    - antismash
+    - antismash/antismashlitedownloaddatabases
+  files:
+    - path: output/antismash/versions.yml
+      md5sum: 24859c67023abab99de295d3675a24b6
+    - path: output/antismash/antismash_db
+    - path: output/antismash/antismash_db/clusterblast
+    - path: output/antismash/antismash_db/clustercompare
+    - path: output/antismash/antismash_db/pfam
+    - path: output/antismash/antismash_db/resfam
+    - path: output/antismash/antismash_db/tigrfam
+    - path: output/antismash/css
+    - path: output/antismash/detection
+    - path: output/antismash/modules

tests/modules/bamtools/split/main.nf

@@ -2,13 +2,29 @@
 
 nextflow.enable.dsl = 2
 
-include { BAMTOOLS_SPLIT } from '../../../../modules/bamtools/split/main.nf'
+include { BAMTOOLS_SPLIT as BAMTOOLS_SPLIT_SINGLE   } from '../../../../modules/bamtools/split/main.nf'
+include { BAMTOOLS_SPLIT as BAMTOOLS_SPLIT_MULTIPLE } from '../../../../modules/bamtools/split/main.nf'
 
-workflow test_bamtools_split {
+workflow test_bamtools_split_single_input {
 
     input = [
         [ id:'test', single_end:false ], // meta map
-        file(params.test_data['homo_sapiens']['illumina']['test_paired_end_sorted_bam'], checkIfExists: true) ]
+        file(params.test_data['homo_sapiens']['illumina']['test_paired_end_sorted_bam'], checkIfExists: true)
+    ]
 
-    BAMTOOLS_SPLIT ( input )
+    BAMTOOLS_SPLIT_SINGLE ( input )
 }
+
+workflow test_bamtools_split_multiple {
+
+    input = [
+        [ id:'test', single_end:false ], // meta map
+        [
+            file(params.test_data['homo_sapiens']['illumina']['test_paired_end_sorted_bam'], checkIfExists: true),
+            file(params.test_data['homo_sapiens']['illumina']['test2_paired_end_sorted_bam'], checkIfExists: true)
+        ]
+    ]
+
+    BAMTOOLS_SPLIT_MULTIPLE ( input )
+}
+

tests/modules/bamtools/split/test.yml

@@ -1,10 +1,23 @@
-- name: bamtools split test_bamtools_split
-  command: nextflow run ./tests/modules/bamtools/split -entry test_bamtools_split -c ./tests/config/nextflow.config -c ./tests/modules/bamtools/split/nextflow.config
+- name: bamtools split test_bamtools_split_single_input
+  command: nextflow run ./tests/modules/bamtools/split -entry test_bamtools_split_single_input -c ./tests/config/nextflow.config -c ./tests/modules/bamtools/split/nextflow.config
   tags:
-    - bamtools/split
     - bamtools
+    - bamtools/split
   files:
-    - path: output/bamtools/test.paired_end.sorted.REF_chr22.bam
+    - path: output/bamtools/test.REF_chr22.bam
       md5sum: b7dc50e0edf9c6bfc2e3b0e6d074dc07
-    - path: output/bamtools/test.paired_end.sorted.REF_unmapped.bam
+    - path: output/bamtools/test.REF_unmapped.bam
       md5sum: e0754bf72c51543b2d745d96537035fb
+    - path: output/bamtools/versions.yml
+
+- name: bamtools split test_bamtools_split_multiple
+  command: nextflow run ./tests/modules/bamtools/split -entry test_bamtools_split_multiple -c ./tests/config/nextflow.config -c ./tests/modules/bamtools/split/nextflow.config
+  tags:
+    - bamtools
+    - bamtools/split
+  files:
+    - path: output/bamtools/test.REF_chr22.bam
+      md5sum: 585675bea34c48ebe9db06a561d4b4fa
+    - path: output/bamtools/test.REF_unmapped.bam
+      md5sum: 16ad644c87b9471f3026bc87c98b4963
+    - path: output/bamtools/versions.yml

tests/modules/bclconvert/main.nf

@@ -0,0 +1,22 @@
+#!/usr/bin/env nextflow
+
+nextflow.enable.dsl = 2
+
+include { BCLCONVERT } from '../../../modules/bclconvert/main.nf'
+
+process STUB_BCLCONVERT_INPUT {
+    output:
+    path "SampleSheet.csv"          ,emit: samplesheet
+    path "DDMMYY_SERIAL_FLOWCELL"   ,emit: run_dir
+
+    stub:
+    """
+    mkdir DDMMYY_SERIAL_FLOWCELL
+    echo "SampleSheet" > SampleSheet.csv
+    """
+}
+
+workflow test_bclconvert {
+    STUB_BCLCONVERT_INPUT ()
+    BCLCONVERT (STUB_BCLCONVERT_INPUT.out.samplesheet, STUB_BCLCONVERT_INPUT.out.run_dir)
+}

tests/modules/bclconvert/nextflow.config

@@ -0,0 +1,5 @@
+process {
+
+    publishDir = { "${params.outdir}/${task.process.tokenize(':')[-1].tokenize('_')[0].toLowerCase()}" }
+    
+}

tests/modules/bclconvert/test.yml

@@ -0,0 +1,52 @@
+- name: bclconvert test_bclconvert
+  command: nextflow run tests/modules/bclconvert -entry test_bclconvert -c tests/config/nextflow.config -stub-run
+  tags:
+    - bclconvert
+  files:
+    - path: output/bclconvert/InterOp/InterOp.bin
+      md5sum: d3dea0bb4ab1c8754af324f40b001481
+    - path: output/bclconvert/Logs/Errors.log
+      md5sum: 334645f09074b2597a692e395b716a9c
+    - path: output/bclconvert/Logs/FastqComplete.txt
+      md5sum: a4c4c6ce2d0de67d3b7ac7d1fcb512e4
+    - path: output/bclconvert/Logs/Info.log
+      md5sum: d238822d379f2277cac950ca986cb660
+    - path: output/bclconvert/Logs/Warnings.log
+      md5sum: aeefd2d631817e170f88f25ecaaf4664
+    - path: output/bclconvert/Reports/Adapter_Metrics.csv
+      md5sum: af62e9c7b44940cfd8ea11064a1f42ae
+    - path: output/bclconvert/Reports/Demultiplex_Stats.csv
+      md5sum: d11313931fcaabb5ce159462ad3dd1da
+    - path: output/bclconvert/Reports/IndexMetricsOut.bin
+      md5sum: 6bcee11c8145e3b1059ceaa91d2f5be7
+    - path: output/bclconvert/Reports/Index_Hopping_Counts.csv
+      md5sum: 697e40e0c0d48b4bd25f138ef60b0bde
+    - path: output/bclconvert/Reports/Quality_Metrics.csv
+      md5sum: 3902fd38f6b01f1ce0f0e8724238f8f2
+    - path: output/bclconvert/Reports/RunInfo.xml
+      md5sum: 5bef7c7e76360231b0c4afdfc915fd44
+    - path: output/bclconvert/Reports/SampleSheet.csv
+      md5sum: c579e7d2c9c917c4cfb875a0373c0936
+    - path: output/bclconvert/Reports/Top_Unknown_Barcodes.csv
+      md5sum: 39a5e7f6d21c12d6051afdc8261b6330
+    - path: output/bclconvert/Reports/fastq_list.csv
+      md5sum: 32c51ab10e013fd547928de57361ffcb
+    - path: output/bclconvert/sample1_S1_L001_R1_001.fastq.gz
+      md5sum: 9b831a39755935333f86f167527a094d
+    - path: output/bclconvert/sample1_S1_L001_R2_001.fastq.gz
+      md5sum: 082f4f767b7619f409ca7e752ef482bf
+    - path: output/bclconvert/sample1_S1_L002_R1_001.fastq.gz
+      md5sum: 837764c89db93dfb53cd663c4f26f3d7
+    - path: output/bclconvert/sample1_S1_L002_R2_001.fastq.gz
+      md5sum: 1a42cf6ba0bb8fc7770f278e6d1ab676
+    - path: output/bclconvert/sample2_S2_L001_R1_001.fastq.gz
+      md5sum: 475bc426b7cc48d0551d40e31457dc78
+    - path: output/bclconvert/sample2_S2_L001_R2_001.fastq.gz
+      md5sum: f670ccd7d9352e0e67fe1c1232429d94
+    - path: output/bclconvert/sample2_S2_L002_R1_001.fastq.gz
+      md5sum: ebd5ff6fa5603e7d704b5a10598de58c
+    - path: output/bclconvert/sample2_S2_L002_R2_001.fastq.gz
+      md5sum: 2f83b460f52620d2548c7ef8845b31d7
+    - path: output/stub/SampleSheet.csv
+      md5sum: c579e7d2c9c917c4cfb875a0373c0936
+    - path: output/bclconvert/versions.yml

tests/modules/diamond/blastp/main.nf

@@ -7,9 +7,22 @@ include { DIAMOND_BLASTP } from '../../../../modules/diamond/blastp/main.nf'
 
 workflow test_diamond_blastp {
 
-    db = [ file(params.test_data['sarscov2']['genome']['genome_fasta'], checkIfExists: true) ]
-    fasta = [ file(params.test_data['sarscov2']['genome']['transcriptome_fasta'], checkIfExists: true) ]
+    db = [ file(params.test_data['sarscov2']['genome']['proteome_fasta'], checkIfExists: true) ]
+    fasta = [ file(params.test_data['sarscov2']['genome']['proteome_fasta'], checkIfExists: true) ]
+    out_ext = 'txt'
+    blast_columns = 'qseqid qlen'
 
     DIAMOND_MAKEDB ( db )
-    DIAMOND_BLASTP ( [ [id:'test'], fasta ], DIAMOND_MAKEDB.out.db )
+    DIAMOND_BLASTP ( [ [id:'test'], fasta ], DIAMOND_MAKEDB.out.db, out_ext, blast_columns )
+}
+
+workflow test_diamond_blastp_daa {
+
+    db = [ file(params.test_data['sarscov2']['genome']['proteome_fasta'], checkIfExists: true) ]
+    fasta = [ file(params.test_data['sarscov2']['genome']['proteome_fasta'], checkIfExists: true) ]
+    out_ext = 'daa'
+    blast_columns = []
+
+    DIAMOND_MAKEDB ( db )
+    DIAMOND_BLASTP ( [ [id:'test'], fasta ], DIAMOND_MAKEDB.out.db, out_ext, blast_columns )
 }

tests/modules/diamond/blastp/test.yml

@@ -1,8 +1,17 @@
-- name: diamond blastp
-  command: nextflow run ./tests/modules/diamond/blastp -entry test_diamond_blastp -c ./tests/config/nextflow.config -c ./tests/modules/diamond/blastp/nextflow.config
+- name: diamond blastp test_diamond_blastp
+  command: nextflow run tests/modules/diamond/blastp -entry test_diamond_blastp -c tests/config/nextflow.config
   tags:
-    - diamond
     - diamond/blastp
+    - diamond
   files:
-    - path: ./output/diamond/test.diamond_blastp.txt
-      md5sum: 3ca7f6290c1d8741c573370e6f8b4db0
+    - path: output/diamond/test.diamond_blastp.txt
+    - path: output/diamond/versions.yml
+
+- name: diamond blastp test_diamond_blastp_daa
+  command: nextflow run tests/modules/diamond/blastp -entry test_diamond_blastp_daa -c tests/config/nextflow.config
+  tags:
+    - diamond/blastp
+    - diamond
+  files:
+    - path: output/diamond/test.diamond_blastp.daa
+    - path: output/diamond/versions.yml