mirror of
https://github.com/MillironX/taxprofiler.git
synced 2024-11-13 06:53:10 +00:00
Add Kraken2 and MALT/run as Proof of Concept (currnetly MQC issue)
This commit is contained in:
parent
278f5605ca
commit
2c183ed2ed
8 changed files with 315 additions and 7 deletions
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@ -68,6 +68,26 @@ process {
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]
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}
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withName: MALT_RUN {
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publishDir = [
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path: { "${params.outdir}/malt/${meta.db_name}" },
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mode: 'copy',
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pattern: '*.{rma6,tab,text,sam,log}'
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]
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ext.args = { "${meta.db_params}" }
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ext.when = params.run_malt
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}
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withName: KRAKEN2_KRAKEN2 {
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publishDir = [
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path: { "${params.outdir}/kraken2/${meta.db_name}" },
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mode: 'copy',
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pattern: '.{fastq.gz,txt}'
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]
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ext.args = { "${meta.db_params}" }
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ext.when = params.run_kraken2
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ext.prefix = { "${meta.id}-${meta.db_name}" }
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}
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withName: CUSTOM_DUMPSOFTWAREVERSIONS {
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publishDir = [
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@ -15,6 +15,12 @@
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"fastqc": {
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"git_sha": "9d0cad583b9a71a6509b754fdf589cbfbed08961"
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},
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"kraken2/kraken2": {
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"git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d"
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},
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"malt/run": {
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"git_sha": "76cdd46f3f8a77fb5023fb5a39c4ab99925b8b56"
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},
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"multiqc": {
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"git_sha": "20d8250d9f39ddb05dfb437603aaf99b5c0b2b41"
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}
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49
modules/nf-core/modules/kraken2/kraken2/main.nf
generated
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49
modules/nf-core/modules/kraken2/kraken2/main.nf
generated
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@ -0,0 +1,49 @@
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process KRAKEN2_KRAKEN2 {
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tag "$meta.id"
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label 'process_high'
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conda (params.enable_conda ? 'bioconda::kraken2=2.1.2 conda-forge::pigz=2.6' : null)
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container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
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'https://depot.galaxyproject.org/singularity/mulled-v2-5799ab18b5fc681e75923b2450abaa969907ec98:87fc08d11968d081f3e8a37131c1f1f6715b6542-0' :
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'quay.io/biocontainers/mulled-v2-5799ab18b5fc681e75923b2450abaa969907ec98:87fc08d11968d081f3e8a37131c1f1f6715b6542-0' }"
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input:
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tuple val(meta), path(reads)
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path db
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output:
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tuple val(meta), path('*classified*') , emit: classified
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tuple val(meta), path('*unclassified*'), emit: unclassified
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tuple val(meta), path('*report.txt') , emit: txt
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path "versions.yml" , emit: versions
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when:
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task.ext.when == null || task.ext.when
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script:
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def args = task.ext.args ?: ''
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def prefix = task.ext.prefix ?: "${meta.id}"
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def paired = meta.single_end ? "" : "--paired"
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def classified = meta.single_end ? "${prefix}.classified.fastq" : "${prefix}.classified#.fastq"
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def unclassified = meta.single_end ? "${prefix}.unclassified.fastq" : "${prefix}.unclassified#.fastq"
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"""
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kraken2 \\
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--db $db \\
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--threads $task.cpus \\
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--unclassified-out $unclassified \\
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--classified-out $classified \\
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--report ${prefix}.kraken2.report.txt \\
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--gzip-compressed \\
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$paired \\
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$args \\
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$reads
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pigz -p $task.cpus *.fastq
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cat <<-END_VERSIONS > versions.yml
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"${task.process}":
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kraken2: \$(echo \$(kraken2 --version 2>&1) | sed 's/^.*Kraken version //; s/ .*\$//')
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pigz: \$( pigz --version 2>&1 | sed 's/pigz //g' )
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END_VERSIONS
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"""
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}
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60
modules/nf-core/modules/kraken2/kraken2/meta.yml
generated
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60
modules/nf-core/modules/kraken2/kraken2/meta.yml
generated
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@ -0,0 +1,60 @@
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name: kraken2_kraken2
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description: Classifies metagenomic sequence data
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keywords:
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- classify
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- metagenomics
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- fastq
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- db
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tools:
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- kraken2:
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description: |
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Kraken2 is a taxonomic sequence classifier that assigns taxonomic labels to sequence reads
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homepage: https://ccb.jhu.edu/software/kraken2/
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documentation: https://github.com/DerrickWood/kraken2/wiki/Manual
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doi: 10.1186/s13059-019-1891-0
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licence: ["MIT"]
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input:
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- meta:
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type: map
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description: |
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Groovy Map containing sample information
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e.g. [ id:'test', single_end:false ]
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- reads:
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type: file
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description: |
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List of input FastQ files of size 1 and 2 for single-end and paired-end data,
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respectively.
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- db:
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type: directory
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description: Kraken2 database
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output:
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- meta:
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type: map
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description: |
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Groovy Map containing sample information
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e.g. [ id:'test', single_end:false ]
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- classified:
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type: file
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description: |
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Reads classified to belong to any of the taxa
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on the Kraken2 database.
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pattern: "*{fastq.gz}"
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- unclassified:
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type: file
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description: |
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Reads not classified to belong to any of the taxa
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on the Kraken2 database.
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pattern: "*{fastq.gz}"
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- txt:
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type: file
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description: |
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Kraken2 report containing stats about classified
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and not classifed reads.
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pattern: "*.{report.txt}"
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- versions:
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type: file
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description: File containing software versions
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pattern: "versions.yml"
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authors:
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- "@joseespinosa"
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- "@drpatelh"
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49
modules/nf-core/modules/malt/run/main.nf
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49
modules/nf-core/modules/malt/run/main.nf
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process MALT_RUN {
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tag "$meta.id"
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label 'process_high'
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conda (params.enable_conda ? "bioconda::malt=0.53" : null)
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container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ?
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'https://depot.galaxyproject.org/singularity/malt:0.53--hdfd78af_0' :
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'quay.io/biocontainers/malt:0.53--hdfd78af_0' }"
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input:
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tuple val(meta), path(fastqs)
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val mode
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path index
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output:
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tuple val(meta), path("*.rma6") , emit: rma6
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tuple val(meta), path("*.{tab,text,sam}"), optional:true, emit: alignments
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tuple val(meta), path("*.log") , emit: log
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path "versions.yml" , emit: versions
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when:
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task.ext.when == null || task.ext.when
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script:
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def args = task.ext.args ?: ''
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def avail_mem = 6
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if (!task.memory) {
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log.info '[MALT_RUN] Available memory not known - defaulting to 6GB. Specify process memory requirements to change this.'
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} else {
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avail_mem = task.memory.giga
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}
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"""
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malt-run \\
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-J-Xmx${avail_mem}g \\
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-t $task.cpus \\
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-v \\
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-o . \\
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$args \\
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--inFile ${fastqs.join(' ')} \\
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-m $mode \\
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--index $index/ |&tee malt-run.log
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cat <<-END_VERSIONS > versions.yml
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"${task.process}":
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malt: \$(malt-run --help 2>&1 | grep -o 'version.* ' | cut -f 1 -d ',' | cut -f2 -d ' ')
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END_VERSIONS
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"""
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}
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58
modules/nf-core/modules/malt/run/meta.yml
generated
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58
modules/nf-core/modules/malt/run/meta.yml
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name: malt_run
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description: MALT, an acronym for MEGAN alignment tool, is a sequence alignment and analysis tool designed for processing high-throughput sequencing data, especially in the context of metagenomics.
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keywords:
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- malt
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- alignment
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- metagenomics
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- ancient DNA
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- aDNA
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- palaeogenomics
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- archaeogenomics
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- microbiome
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tools:
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- malt:
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description: A tool for mapping metagenomic data
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homepage: https://www.wsi.uni-tuebingen.de/lehrstuehle/algorithms-in-bioinformatics/software/malt/
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documentation: https://software-ab.informatik.uni-tuebingen.de/download/malt/manual.pdf
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tool_dev_url: None
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doi: "10.1038/s41559-017-0446-6"
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licence: ["GPL v3"]
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input:
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- meta:
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type: map
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description: |
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Groovy Map containing sample information
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e.g. [ id:'test', single_end:false ]
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- fastqs:
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type: file
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description: Input FASTQ files
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pattern: "*.{fastq.gz,fq.gz}"
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- mode:
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type: string
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description: Program mode
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pattern: "Unknown|BlastN|BlastP|BlastX|Classifier"
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- index:
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type: directory
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description: Index/database directory from malt-build
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pattern: "*/"
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output:
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- versions:
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type: file
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description: File containing software versions
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pattern: "versions.yml"
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- rma6:
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type: file
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description: MEGAN6 RMA6 file
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pattern: "*.rma6"
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- sam:
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type: file
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description: Alignment files in Tab, Text or MEGAN-compatible SAM format
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pattern: "*.{tab,txt,sam}"
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- log:
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type: file
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description: Log of verbose MALT stdout
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pattern: "malt-run.log"
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authors:
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- "@jfy133"
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@ -54,8 +54,15 @@ params {
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databases = null
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// FASTQ preprocessing
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fastp_clip_merge = false
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fastp_exclude_unmerged = true
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fastp_clip_merge = false
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fastp_exclude_unmerged = true
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// MALT
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run_malt = false
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malt_mode = 'BlastN'
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// kraken2
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run_kraken2 = false
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}
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// Load base.config by default for all pipelines
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@ -56,6 +56,9 @@ include { MULTIQC } from '../modules/nf-core/modules/multiqc
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include { CUSTOM_DUMPSOFTWAREVERSIONS } from '../modules/nf-core/modules/custom/dumpsoftwareversions/main'
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include { CAT_FASTQ } from '../modules/nf-core/modules/cat/fastq/main'
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include { MALT_RUN } from '../modules/nf-core/modules/malt/run/main'
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include { KRAKEN2_KRAKEN2 } from '../modules/nf-core/modules/kraken2/kraken2/main'
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/*
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========================================================================================
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@ -95,13 +98,15 @@ workflow TAXPROFILER {
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)
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//
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// MODULE: Run Clip/Merge/Complexity
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// PERFORM PREPROCESSING
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//
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if ( params.fastp_clip_merge ) {
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FASTQ_PREPROCESSING ( INPUT_CHECK.out.fastq )
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}
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// MODULE: Cat merge runs of same sample
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//
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// PERFORM RUN MERGING
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//
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ch_processed_for_combine = FASTQ_PREPROCESSING.out.reads
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.dump(tag: "prep_for_combine_grouping")
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.map {
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@ -118,15 +123,61 @@ workflow TAXPROFILER {
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CAT_FASTQ ( ch_processed_for_combine.combine )
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// Ready for profiling!
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ch_reads_for_profiling = ch_processed_for_combine.skip
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.dump(tag: "skip_combine")
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.mix( CAT_FASTQ.out.reads )
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.dump(tag: "files_for_profiling")
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// Combine reads with possible databases
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//
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// COMBINE READS WITH POSSIBLE DATABASES
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//
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// output [DUMP: reads_plus_db] [['id':'2612', 'run_accession':'combined', 'instrument_platform':'ILLUMINA', 'single_end':1], <reads_path>/2612.merged.fastq.gz, ['tool':'malt', 'db_name':'mal95', 'db_params':'"-id 90"'], <db_path>/malt90]
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ch_input_for_profiling = ch_reads_for_profiling
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.combine(DB_CHECK.out.dbs)
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.dump(tag: "reads_plus_db")
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.branch {
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malt: it[2]['tool'] == 'malt'
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kraken2: it[2]['tool'] == 'kraken2'
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unknown: true
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}
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//
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// PREP PROFILER INPUT CHANNELS ON PER TOOL BASIS
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//
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// We groupTuple to have all samples in one channel for MALT as database
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// loading takes a long time, so we only want to run it once per database
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ch_input_for_malt = ch_input_for_profiling.malt
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.map {
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it ->
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def temp_meta = [ id: it[2]['db_name']] + it[2]
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def db = it[3]
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[ temp_meta, it[1], db ]
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}
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.groupTuple(by: [0,2])
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.dump(tag: "input for malt")
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.multiMap {
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it ->
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reads: [ it[0], it[1].flatten() ]
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db: it[2]
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}
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// We can run Kraken2 one-by-one sample-wise
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ch_input_for_kraken2 = ch_input_for_profiling.kraken2
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.dump(tag: "input for kraken")
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.multiMap {
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it ->
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reads: [ it[0] + it[2], it[1] ]
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db: it[3]
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}
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//
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// RUN PROFILING
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//
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MALT_RUN ( ch_input_for_malt.reads, params.malt_mode, ch_input_for_malt.db )
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KRAKEN2_KRAKEN2 ( ch_input_for_kraken2.reads, ch_input_for_kraken2.db )
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ch_reads_for_profiling.combine(DB_CHECK.out.dbs).dump(tag: "reads_plus_db")
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//
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// MODULE: MultiQC
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if (params.fastp_clip_merge) {
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ch_multiqc_files = ch_multiqc_files.mix(FASTQ_PREPROCESSING.out.mqc)
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}
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if (params.run_kraken2) {
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ch_multiqc_files = ch_multiqc_files.mix(KRAKEN2_KRAKEN2.out.txt.collect{it[1]}.ifEmpty([]))
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ch_versions = ch_versions.mix(KRAKEN2_KRAKEN2.out.versions.first())
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}
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if (params.run_malt) {
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ch_multiqc_files = ch_multiqc_files.mix(MALT_RUN.out.log.collect{it[1]}.ifEmpty([]))
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ch_versions = ch_versions.mix(MALT_RUN.out.versions.first())
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}
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MULTIQC (
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