diff --git a/.cwl/README.md b/.cwl/README.md index 41a62d0781782aa6192559d788c3dbcc500c32fe..0340cecc65fb7ceb4db7bbef0e16242b04eac63d 100644 --- a/.cwl/README.md +++ b/.cwl/README.md @@ -77,5 +77,5 @@ cwltool --parallel run.cwl run.yml > $(date +"%Y-%m-%d_%H-%M")-run.log 2>&1 & ### Print workflow to file ```bash -cwltool --print-dot run.cwl | dot -Tsvg > run.svg +cwltool --print-dot ../arc.cwl | dot -Tsvg > arc-cwl.svg ``` diff --git a/.cwl/arc-cwl.svg b/.cwl/arc-cwl.svg new file mode 100644 index 0000000000000000000000000000000000000000..8269aa869ea0ca21187fc6241694f3b86598ec00 --- /dev/null +++ b/.cwl/arc-cwl.svg @@ -0,0 +1,245 @@ +<?xml version="1.0" encoding="UTF-8" standalone="no"?> +<!DOCTYPE svg PUBLIC "-//W3C//DTD SVG 1.1//EN" + "http://www.w3.org/Graphics/SVG/1.1/DTD/svg11.dtd"> +<!-- Generated by graphviz version 9.0.0 (0) + --> +<!-- Title: G Pages: 1 --> +<svg width="2781pt" height="325pt" + viewBox="0.00 0.00 2781.00 325.00" xmlns="http://www.w3.org/2000/svg" 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d="M2685.09,-264C2673.18,-253.24 2656.7,-239.93 2640,-231.5 2529.23,-175.57 2382.96,-148.47 2314.47,-138.16"/> +<polygon fill="black" stroke="black" points="2315.28,-134.74 2304.88,-136.76 2314.27,-141.67 2315.28,-134.74"/> +</g> +</g> +</svg> diff --git a/.cwl/cwl-plots/runs/kallisto.svg b/.cwl/cwl-plots/runs/kallisto.svg index 45f69bc844193654382928997d43f78b3e2171f4..241535b57ea69b5af61d7e5f40ede4a8366fdb7f 100644 --- a/.cwl/cwl-plots/runs/kallisto.svg +++ b/.cwl/cwl-plots/runs/kallisto.svg @@ -109,15 +109,15 @@ <path fill="none" stroke="black" d="M79.18,-185.43C89.76,-174.74 104.84,-161.76 121,-155 157.69,-139.66 267.22,-133.56 330.49,-131.27"/> <polygon fill="black" stroke="black" points="330.73,-134.77 340.61,-130.93 330.49,-127.77 330.73,-134.77"/> </g> -<!-- finalOut --> +<!-- kallistoOutDir --> <g id="node9" class="node"> -<title>finalOut</title> +<title>kallistoOutDir</title> <polygon fill="#94ddf4" stroke="black" points="346.06,-38.5 346.06,-74.5 407.94,-74.5 407.94,-38.5 346.06,-38.5"/> -<text text-anchor="middle" x="377" y="-52.3" font-family="Times,serif" font-size="14.00">finalOut</text> +<text text-anchor="middle" x="377" y="-52.3" font-family="Times,serif" font-size="14.00">kallistoOutDir</text> </g> -<!-- kallisto->finalOut --> +<!-- kallisto->kallistoOutDir --> <g id="edge8" class="edge"> -<title>kallisto->finalOut</title> +<title>kallisto->kallistoOutDir</title> <path fill="none" stroke="black" d="M377,-110.93C377,-103.17 377,-93.78 377,-85.06"/> <polygon fill="black" stroke="black" points="380.5,-84.9 377,-74.9 373.5,-84.9 380.5,-84.9"/> </g> diff --git a/.cwl/cwl-plots/workflows/kallisto.svg b/.cwl/cwl-plots/workflows/kallisto.svg index 9e81b888aae33970cf281e5cb9f209c6c363d61a..930b4cad82f95e6624a32284127342621d8e2618 100644 --- a/.cwl/cwl-plots/workflows/kallisto.svg +++ b/.cwl/cwl-plots/workflows/kallisto.svg @@ -37,15 +37,15 @@ <path fill="none" stroke="black" d="M491.95,-193.08C456.78,-182.13 394.44,-162.71 348.49,-148.4"/> <polygon fill="black" stroke="black" points="349.25,-144.97 338.66,-145.34 347.16,-151.66 349.25,-144.97"/> </g> -<!-- finalOut --> +<!-- kallistoOutDir --> <g id="node11" class="node"> -<title>finalOut</title> +<title>kallistoOutDir</title> <polygon fill="#94ddf4" stroke="black" points="260.06,-38.5 260.06,-74.5 321.94,-74.5 321.94,-38.5 260.06,-38.5"/> -<text text-anchor="middle" x="291" y="-52.3" font-family="Times,serif" font-size="14.00">finalOut</text> +<text text-anchor="middle" x="291" y="-52.3" font-family="Times,serif" font-size="14.00">kallistoOutDir</text> </g> -<!-- collectResults->finalOut --> +<!-- collectResults->kallistoOutDir --> <g id="edge12" class="edge"> -<title>collectResults->finalOut</title> +<title>collectResults->kallistoOutDir</title> <path fill="none" stroke="black" d="M291,-111.31C291,-103.29 291,-93.55 291,-84.57"/> <polygon fill="black" stroke="black" points="294.5,-84.53 291,-74.53 287.5,-84.53 294.5,-84.53"/> </g> diff --git a/README.md b/README.md index a0b47600f691b2402d98bfee41e34da7a0c1b704..ffc8756d26c797bc40c8fc58d9465445cea5c79e 100644 --- a/README.md +++ b/README.md @@ -5,15 +5,29 @@ The [Talinum Genome Draft](./studies/TalinumGenomeDraft) originates from <https: ## Table of Contents -1. [Description](#description) -2. [Publication](#publication) -3. Studies - - [TalinumGenomeDraft](#study--talinumgenomedraft) - - [TalinumSamples-STRI](#study--TalinumSamples-STRI) -4. Assays - - [MassHunter_targets](#assay--masshunter_targets) - - [GCqTOF_targets](#assay--gcqtof_targets) - - [RNASeq](#assay--RNASeq) +- [Table of Contents](#table-of-contents) + - [Description](#description) +- [Relationships between Assays and Studies](#relationships-between-assays-and-studies) +- [Workflow Overview](#workflow-overview) +- [Additional details](#additional-details) +- [Publication](#publication) +- [Study : *TalinumGenomeDraft*](#study--talinumgenomedraft) + - [Additional details](#additional-details-1) + - [Annotation headers](#annotation-headers) +- [Study : *TalinumSamples-STRI*](#study--talinumsamples-stri) + - [Additional details](#additional-details-2) + - [Annotation headers](#annotation-headers-1) +- [Assay : *MassHunter\_targets*](#assay--masshunter_targets) + - [Additional details](#additional-details-3) + - [Annotation headers](#annotation-headers-2) +- [Assay : *RNASeq*](#assay--rnaseq) + - [Additional details](#additional-details-4) + - [Annotation headers](#annotation-headers-3) +- [Assay : *GCqTOF\_targets*](#assay--gcqtof_targets) + - [Additional details](#additional-details-5) + - [Annotation headers](#annotation-headers-4) + + ### Description @@ -67,7 +81,12 @@ class ASSAY_MassHunter_targets,ASSAY_RNASeq,ASSAY_GCqTOF_targets assayStyle; class TalinumGenomeDraft,plant_material,mh-quant-results,mh-quant-report,rna_extraction,illumina,metabolite_extraction,gas_chromatography,mass_spec processStyle; ``` -### Additional details +## Workflow Overview + + + + +## Additional details | Meta Data | Description | | --------- | ----------- | diff --git a/arc-job.yml b/arc-job.yml new file mode 100644 index 0000000000000000000000000000000000000000..9b36300bc49b2cf45ad8b50d87cfd2cad1c8de22 --- /dev/null +++ b/arc-job.yml @@ -0,0 +1,76 @@ +################################################################################ +### runs/kallisto +################################################################################ + +## Genome file to build kallisto Index +kallisto_IndexInput: + - class: File + path: ./studies/TalinumGenomeDraft/resources/Talinum.gm.CDS.nt.fa + format: edam:format_1929 # FASTA + +## Fastq files to be mapped +# The `readsOfOneSample` looks more complicated than needed +# It's an array of records (each with one or mupltiple files and a sample name) to generically allow multiple fastq files per sample + +kallisto_sampleRecord: + - readsOfOneSample: + - class: File + path: ./assays/RNASeq/dataset/DB_097_CAMMD_CAGATC_L001_R1_001.fastq.gz + format: edam:format_1930 + sampleName: 'DB_097' + - readsOfOneSample: + - class: File + path: ./assays/RNASeq/dataset/DB_163_reC3MD_GTGAAA_L001_R1_001.fastq.gz + format: edam:format_1930 + sampleName: 'DB_163' + - readsOfOneSample: + - class: File + path: ./assays/RNASeq/dataset/DB_099_CAMMD_CTTGTA_L001_R1_001.fastq.gz + format: edam:format_1930 + sampleName: 'DB_099' + - readsOfOneSample: + - class: File + path: ./assays/RNASeq/dataset/DB_103_CAMMD_AGTCAA_L001_R1_001.fastq.gz + format: edam:format_1930 + sampleName: 'DB_103' + - readsOfOneSample: + - class: File + path: ./assays/RNASeq/dataset/DB_161_reC3MD_GTCCGC_L001_R1_001.fastq.gz + format: edam:format_1930 + sampleName: 'DB_161' + - readsOfOneSample: + - class: File + path: ./assays/RNASeq/dataset/DB_165_re-C3MD_GTGAAA_L002_R1_001.fastq.gz + format: edam:format_1930 + sampleName: 'DB_165' + +### Kallisto quant Parameters +kallisto_isSingle: true +kallisto_FragmentLength: 200 +kallisto_StandardDeviation: 20 +kallisto_BootstrapSamples: 30 +kallisto_resultsFolder: kallisto_results + +$namespaces: + edam: https://edamontology.org/ + +################################################################################ +### runs/isaSampleToRawDataSeq +################################################################################ + +isaSampleToRawDataSeq_arcPath: + class: Directory + path: ./ +isaSampleToRawDataSeq_assayName: "RNASeq" +isaSampleToRawDataSeq_outName: rnaseq-samples +isaSampleToRawDataSeq_startingNodeNum: 0 + +################################################################################ +### runs/sleuth +################################################################################ + +sleuth_inMetadataSample: "Input [Source Name]" +sleuth_inMetadataFactorList: + - "Factor [Photosynthesis mode]" +sleuth_inMetadataDataCol: "Output [Data]" +sleuth_outFolder: results diff --git a/arc.cwl b/arc.cwl new file mode 100644 index 0000000000000000000000000000000000000000..e0a4ce99f8aec508b687d0eeeb0822d7e04c943a --- /dev/null +++ b/arc.cwl @@ -0,0 +1,80 @@ +cwlVersion: v1.2 +class: Workflow + +requirements: + SubworkflowFeatureRequirement: {} + ScatterFeatureRequirement: {} + MultipleInputFeatureRequirement: {} + +inputs: + #### runs/kallisto + kallisto_IndexInput: File[] + kallisto_sampleRecord: + type: + type: array + items: + type: record + fields: + readsOfOneSample: + type: File[] + sampleName: + type: string? + kallisto_isSingle: boolean + kallisto_FragmentLength: double? + kallisto_StandardDeviation: double? + kallisto_BootstrapSamples: int? + kallisto_resultsFolder: string + + #### runs/isaSampleToRawDataSeq + isaSampleToRawDataSeq_arcPath: Directory + isaSampleToRawDataSeq_assayName: string + isaSampleToRawDataSeq_startingNodeNum: int + isaSampleToRawDataSeq_outName: string + + #### runs/sleuth +# sleuth_inKallistoResults: Directory +# sleuth_inMetadataFile: File + sleuth_inMetadataSample: string + sleuth_inMetadataFactorList: string[] + sleuth_inMetadataDataCol: string + sleuth_outFolder: string + +steps: + kallisto: + run: runs/kallisto/run.cwl + in: + IndexInput: kallisto_IndexInput + sampleRecord: kallisto_sampleRecord + isSingle: kallisto_isSingle + FragmentLength: kallisto_FragmentLength + StandardDeviation: kallisto_StandardDeviation + BootstrapSamples: kallisto_BootstrapSamples + resultsFolder: kallisto_resultsFolder + out: [kallistoOutDir] + + + isaSampleToRawDataSeq: + run: runs/isaSampleToRawDataSeq/run.cwl + in: + arcPath: isaSampleToRawDataSeq_arcPath + assayName: isaSampleToRawDataSeq_assayName + startingNodeNum: isaSampleToRawDataSeq_startingNodeNum + outName: isaSampleToRawDataSeq_outName + out: [sampleseqCsv, sampleseqXlsx] + + sleuth: + run: runs/sleuth/run.cwl + in: + inKallistoResults: kallisto/kallistoOutDir + inMetadataFile: isaSampleToRawDataSeq/sampleseqCsv + inMetadataSample: sleuth_inMetadataSample + inMetadataFactorList: sleuth_inMetadataFactorList + inMetadataDataCol: sleuth_inMetadataDataCol + outFolder: sleuth_outFolder + out: [outdir] + +outputs: + + outdir: + type: Directory[] + outputSource: sleuth/outdir \ No newline at end of file diff --git a/runs/fastqc/run.cwl b/runs/fastqc/run.cwl index 974e99274b8fab4201a548c27fdda57f059544b4..b049a5f92ccca308657a8791af4c5d52f3871da3 100644 --- a/runs/fastqc/run.cwl +++ b/runs/fastqc/run.cwl @@ -16,9 +16,9 @@ steps: in: fastq: fastq finaloutdir: finaloutdir - out: [outdir] + out: [fastqc_outdir] outputs: - outdir: + fastqc_outdir: type: Directory - outputSource: fastqc/outdir \ No newline at end of file + outputSource: fastqc/fastqc_outdir \ No newline at end of file diff --git a/runs/isaSampleToRawDataSeq/rnaseq-samples.xlsx b/runs/isaSampleToRawDataSeq/rnaseq-samples.xlsx index 1c05d363efc105474dc4887ac57f94beba0ac181..e73d722501815a8b129f9f7a95b3b0af60c45ab0 100644 Binary files a/runs/isaSampleToRawDataSeq/rnaseq-samples.xlsx and b/runs/isaSampleToRawDataSeq/rnaseq-samples.xlsx differ diff --git a/runs/isaSampleToRawDataSeq/run.cwl b/runs/isaSampleToRawDataSeq/run.cwl index 8f00f6abfd1d3f757b20fdf253fbbcd0b0003aa5..aca29e7543721a02e4a3a7eee0650b1167615a0f 100644 --- a/runs/isaSampleToRawDataSeq/run.cwl +++ b/runs/isaSampleToRawDataSeq/run.cwl @@ -15,10 +15,14 @@ steps: assayName: assayName startingNodeNum: startingNodeNum outName: outName - out: [output] + out: + - sampleseqCsv + - sampleseqXlsx outputs: - output: - type: File[] - outputSource: isaSampleToRawDataSeq/output - + sampleseqCsv: + type: File + outputSource: isaSampleToRawDataSeq/sampleseqCsv + sampleseqXlsx: + type: File + outputSource: isaSampleToRawDataSeq/sampleseqXlsx \ No newline at end of file diff --git a/runs/kallisto/run.cwl b/runs/kallisto/run.cwl index 3ec2a22fd3d933361182dff470de94caf611a092..d702ed4426bff5a1890b4f9f0ce0de6acb1743c8 100644 --- a/runs/kallisto/run.cwl +++ b/runs/kallisto/run.cwl @@ -35,9 +35,9 @@ steps: StandardDeviation: StandardDeviation BootstrapSamples: BootstrapSamples resultsFolder: resultsFolder - out: [finalOut] + out: [kallistoOutDir] outputs: - finalOut: - type: Directory[] - outputSource: kallisto/finalOut + kallistoOutDir: + type: Directory + outputSource: kallisto/kallistoOutDir diff --git a/runs/sleuth/run.cwl b/runs/sleuth/run.cwl index b21434225a867157c64962fcf079f36b19d302b5..e00ce51a124f5266ae6f383ba5d21ba4383ffc57 100644 --- a/runs/sleuth/run.cwl +++ b/runs/sleuth/run.cwl @@ -12,7 +12,7 @@ inputs: outFolder: string steps: - collectResults: + sleuth: run: ../../workflows/sleuth/workflow.cwl in: inKallistoResults: inKallistoResults @@ -26,4 +26,4 @@ steps: outputs: outdir: type: Directory[] - outputSource: collectResults/outdir + outputSource: sleuth/outdir diff --git a/workflows/fastqc/collectFilesInDir.cwl b/workflows/fastqc/collectFilesInDir.cwl deleted file mode 100644 index 39f9ff8ae5a33d939136c081a9cd79533972eddc..0000000000000000000000000000000000000000 --- a/workflows/fastqc/collectFilesInDir.cwl +++ /dev/null @@ -1,20 +0,0 @@ -cwlVersion: v1.2 -class: ExpressionTool -label: Collect files in a directory -doc: | - Takes Files (e.g. from a workflow step) and yields them in a desired directory. -requirements: - - class: InlineJavascriptRequirement -inputs: - files: File[] - destination: string -expression: | - ${ - return {"outDir": { - "class": "Directory", - "basename": inputs.destination, - "listing": inputs.files - } }; - } -outputs: - outDir: Directory \ No newline at end of file diff --git a/workflows/fastqc/fastqc.cwl b/workflows/fastqc/fastqc.cwl index a2e408db732fa6913af001c6349dda4ac30a116e..f0b906a85f919f4547565b27a3254ad4404c8824 100644 --- a/workflows/fastqc/fastqc.cwl +++ b/workflows/fastqc/fastqc.cwl @@ -2,12 +2,14 @@ cwlVersion: v1.2 class: CommandLineTool -label: Run fastqc on raw reads in FASTQ format (single or paired end) or aligned reads in BAM. +label: FastQC - A high throughput sequence QC analysis tool doc: | - simplified from: https://github.com/common-workflow-library/bio-cwl-tools/blob/66f620da5b0a11e934a6da83272205a2516bcd91/fastqc/fastqc_1.cwl - + Original docs: https://www.bioinformatics.babraham.ac.uk/projects/fastqc/ + Run fastqc on raw reads in FASTQ format (single or paired end) or aligned reads in BAM. + + This CWL was adapted from: https://github.com/common-workflow-library/bio-cwl-tools/blob/66f620da5b0a11e934a6da83272205a2516bcd91/fastqc/fastqc_1.cwl hints: ResourceRequirement: @@ -18,11 +20,13 @@ hints: SoftwareRequirement: packages: fastqc: - specs: [ https://identifiers.org/biotools/fastqc ] + specs: + - https://identifiers.org/biotools/fastqc + - - https://identifiers.org/rrid/RRID:SCR_014583 version: [ "0.11.9" ] - baseCommand: "fastqc" + arguments: - valueFrom: $(runtime.outdir) prefix: "-o" @@ -46,3 +50,13 @@ outputs: outputBinding: glob: "*_fastqc.html" + +$namespaces: + edam: https://edamontology.org/ + s: https://schema.org/ +$schemas: + - https://edamontology.org/EDAM_1.18.owl + +s:license: https://spdx.org/licenses/GPL-3.0-or-later + + diff --git a/workflows/fastqc/gather-files.cwl b/workflows/fastqc/gather-files.cwl new file mode 100644 index 0000000000000000000000000000000000000000..67d23ec72e90012c4e07b2f2ebaf3b2d102308c8 --- /dev/null +++ b/workflows/fastqc/gather-files.cwl @@ -0,0 +1,24 @@ +cwlVersion: v1.2 +class: ExpressionTool +label: Gather files +doc: | + Helper tool to organize workflow outputs + + Takes an array of files (e.g. from a workflow step) and yields them in a destination directory. + + Adapted from: https://github.com/common-workflow-language/cwl-v1.1/blob/a22b7580c6b50e77c0a181ca59d3828dd5c69143/tests/dir7.cwl +requirements: + - class: InlineJavascriptRequirement +inputs: + inFiles: File[] + destination: string +expression: | + ${ + return {"outDir": { + "class": "Directory", + "basename": inputs.destination, + "listing": inputs.inFiles + } }; + } +outputs: + outDir: Directory \ No newline at end of file diff --git a/workflows/fastqc/workflow.cwl b/workflows/fastqc/workflow.cwl index d80a7eaafc7c6f530d3c43ca21716b005e7d1f4e..45923196e84b10785fbf079d4fe4c2d8397abfa4 100644 --- a/workflows/fastqc/workflow.cwl +++ b/workflows/fastqc/workflow.cwl @@ -18,15 +18,17 @@ steps: fastq: fastq out: [fastqc_zip, fastqc_html] collectFiles: - run: ./collectFilesInDir.cwl + run: ./gather-files.cwl in: - destination: finaloutdir - files: - source: [fastqc/fastqc_html, fastqc/fastqc_zip] + inFiles: + source: + - fastqc/fastqc_html + - fastqc/fastqc_zip linkMerge: merge_flattened + destination: finaloutdir out: [outDir] outputs: - outdir: + fastqc_outdir: type: Directory outputSource: collectFiles/outDir \ No newline at end of file diff --git a/workflows/isaSampleToRawDataSeq/workflow.cwl b/workflows/isaSampleToRawDataSeq/workflow.cwl index 9cace450b08381d8a8dc408daf6fab25489e8881..f9db3ee3cc8a9dcd6cb12b963d0728cdbb247c70 100644 --- a/workflows/isaSampleToRawDataSeq/workflow.cwl +++ b/workflows/isaSampleToRawDataSeq/workflow.cwl @@ -39,9 +39,13 @@ inputs: position: 4 outputs: - output: - type: File[] + sampleseqCsv: + type: File outputBinding: glob: - "*.csv" + sampleseqXlsx: + type: File + outputBinding: + glob: - "*.xlsx" diff --git a/workflows/kallisto/gather-dirs.cwl b/workflows/kallisto/gather-dirs.cwl new file mode 100644 index 0000000000000000000000000000000000000000..858682309d3ce7fef50d7d71741832f9ecdde0ae --- /dev/null +++ b/workflows/kallisto/gather-dirs.cwl @@ -0,0 +1,28 @@ +cwlVersion: v1.2 +class: ExpressionTool +label: Gather directories +doc: | + Helper tool to organize workflow outputs + + Takes an array of directories (e.g. from a workflow step) and yields them in a destination directory. + + Adapted from: https://github.com/common-workflow-language/cwl-v1.1/blob/a22b7580c6b50e77c0a181ca59d3828dd5c69143/tests/dir7.cwl + +requirements: + - class: InlineJavascriptRequirement + +inputs: + inDirs: Directory[] + destinationDir: string + +expression: | + ${ + return {"outDir": { + "class": "Directory", + "basename": inputs.destinationDir, + "listing": inputs.inDirs + } }; + } + +outputs: + outDir: Directory \ No newline at end of file diff --git a/workflows/kallisto/kallisto-index.cwl b/workflows/kallisto/kallisto-index.cwl index d35f52022fabbb4028a84fe2866fbf3343122947..b43cba7adfe32a26892de9acff2d747d20c4e28f 100644 --- a/workflows/kallisto/kallisto-index.cwl +++ b/workflows/kallisto/kallisto-index.cwl @@ -2,17 +2,47 @@ cwlVersion: v1.2 class: CommandLineTool +label: Kallisto index +doc: | + + Docs: https://pachterlab.github.io/kallisto/ + + + Builds a kallisto index + + Usage: kallisto index [arguments] FASTA-files + + Required argument: + -i, --index=STRING Filename for the kallisto index to be constructed + + Optional argument: + -k, --kmer-size=INT k-mer (odd) length (default: 31, max value: 63) + -t, --threads=INT Number of threads to use (default: 1) + -d, --d-list=STRING Path to a FASTA-file containing sequences to mask from quantification + --make-unique Replace repeated target names with unique names + --aa Generate index from a FASTA-file containing amino acid sequences + --distinguish Generate index where sequences are distinguished by the sequence name + -T, --tmp=STRING Temporary directory (default: tmp) + -m, --min-size=INT Length of minimizers (default: automatically chosen) + -e, --ec-max-size=INT Maximum number of targets in an equivalence class (default: no maximum) + + This CWL was adapted from: https://github.com/common-workflow-library/bio-cwl-tools/commit/91c42fb809ce18eafe16155cca0abf362270c0fe + hints: DockerRequirement: dockerPull: quay.io/biocontainers/kallisto:0.51.1--ha4fb952_1 SoftwareRequirement: packages: kallisto: - version: [ "0.50.0" ] - specs: [ https://identifiers.org/biotools/kallisto ] + version: [ "0.51.1" ] + specs: + - https://identifiers.org/rrid/RRID:SCR_016582 + - https://identifiers.org/biotools/kallisto requirements: - - class: InlineJavascriptRequirement + InlineJavascriptRequirement: {} + +baseCommand: [kallisto, index] inputs: InputFiles: @@ -41,8 +71,6 @@ inputs: inputBinding: prefix: "--make-unique" -baseCommand: [kallisto, index] - outputs: index: type: File @@ -51,5 +79,8 @@ outputs: $namespaces: edam: https://edamontology.org/ + s: https://schema.org/ $schemas: - https://edamontology.org/EDAM_1.18.owl + +s:license: https://spdx.org/licenses/BSD-2-Clause diff --git a/workflows/kallisto/kallisto-quant.cwl b/workflows/kallisto/kallisto-quant.cwl index 026f7e1bc37dba078b750b3f7ecb70019c4bc753..998c371f230cec6cabb4ea1f194b88510205fa0c 100755 --- a/workflows/kallisto/kallisto-quant.cwl +++ b/workflows/kallisto/kallisto-quant.cwl @@ -2,13 +2,51 @@ cwlVersion: v1.2 class: CommandLineTool +label: Kallisto quant +doc: | + + Docs: https://pachterlab.github.io/kallisto/ + + Computes equivalence classes for reads and quantifies abundances + + Usage: kallisto quant [arguments] FASTQ-files + + Required arguments: + -i, --index=STRING Filename for the kallisto index to be used for + quantification + -o, --output-dir=STRING Directory to write output to + + Optional arguments: + -b, --bootstrap-samples=INT Number of bootstrap samples (default: 0) + --seed=INT Seed for the bootstrap sampling (default: 42) + --plaintext Output plaintext instead of HDF5 + --single Quantify single-end reads + --single-overhang Include reads where unobserved rest of fragment is + predicted to lie outside a transcript + --fr-stranded Strand specific reads, first read forward + --rf-stranded Strand specific reads, first read reverse + -l, --fragment-length=DOUBLE Estimated average fragment length + -s, --sd=DOUBLE Estimated standard deviation of fragment length + (default: -l, -s values are estimated from paired + end data, but are required when using --single) + -p, --priors Priors for the EM algorithm, either as raw counts or as + probabilities. Pseudocounts are added to raw reads to + prevent zero valued priors. Supplied in the same order + as the transcripts in the transcriptome + -t, --threads=INT Number of threads to use (default: 1) + --verbose Print out progress information every 1M proccessed reads + + + This CWL was adapted from: https://github.com/common-workflow-library/bio-cwl-tools/commit/91c42fb809ce18eafe16155cca0abf362270c0fe + + hints: DockerRequirement: dockerPull: quay.io/biocontainers/kallisto:0.51.1--ha4fb952_1 SoftwareRequirement: packages: kallisto: - version: [ "0.50.0" ] + version: [ "0.51.1" ] specs: [ https://identifiers.org/biotools/kallisto ] inputs: @@ -126,12 +164,16 @@ arguments: [ "--output-dir", $(inputs.QuantOutfolder) ] outputs: - outFolder: + kallistoQuantOutDir: type: Directory outputBinding: glob: $(runtime.outdir)/$(inputs.QuantOutfolder) + $namespaces: edam: https://edamontology.org/ + s: https://schema.org/ $schemas: - https://edamontology.org/EDAM_1.18.owl + +s:license: https://spdx.org/licenses/BSD-2-Clause diff --git a/workflows/kallisto/kallisto-test.cwl b/workflows/kallisto/kallisto-test.cwl deleted file mode 100644 index 3a05871190f87a7d8436644c9db41b14fa73b758..0000000000000000000000000000000000000000 --- a/workflows/kallisto/kallisto-test.cwl +++ /dev/null @@ -1,18 +0,0 @@ -#!/usr/bin/env cwl-runner -cwlVersion: v1.2 -class: CommandLineTool - -hints: - DockerRequirement: - dockerPull: quay.io/biocontainers/kallisto:0.50.1--h6de1650_2 - SoftwareRequirement: - packages: - kallisto: - version: [ "0.50.0" ] - specs: [ https://identifiers.org/biotools/kallisto ] - -inputs: [] - -baseCommand: [kallisto] - -outputs: [] \ No newline at end of file diff --git a/workflows/kallisto/workflow.cwl b/workflows/kallisto/workflow.cwl index 4ce56173769787379dddf9cd977d60b18e6ff9c1..3120f96bc99f073fa144ccbe49fbf4fd7e52772e 100644 --- a/workflows/kallisto/workflow.cwl +++ b/workflows/kallisto/workflow.cwl @@ -8,60 +8,59 @@ requirements: InlineJavascriptRequirement: {} inputs: - IndexInput: File[] - sampleRecord: - type: - type: array - items: - type: record - fields: - readsOfOneSample: - type: File[] - sampleName: - type: string? - isSingle: boolean - FragmentLength: double? - StandardDeviation: double? - BootstrapSamples: int? - resultsFolder: string + IndexInput: File[] + sampleRecord: + type: + type: array + items: + type: record + fields: + readsOfOneSample: + type: File[] + sampleName: + type: string? + isSingle: boolean + FragmentLength: double? + StandardDeviation: double? + BootstrapSamples: int? + resultsFolder: string steps: - index: - run: kallisto-index.cwl - in: - InputFiles: IndexInput - IndexName: - source: IndexInput - valueFrom: $(self[0].nameroot) - out: [index] + index: + run: kallisto-index.cwl + in: + InputFiles: IndexInput + IndexName: + source: IndexInput + valueFrom: $(self[0].nameroot) + out: [index] - quant: - run: kallisto-quant.cwl - scatter: [InputReads, QuantOutfolder] - scatterMethod: dotproduct - in: - InputReads: - source: sampleRecord - valueFrom: $(self.readsOfOneSample) - QuantOutfolder: - source: sampleRecord - valueFrom: $(self.sampleName) - Index: index/index - isSingle: isSingle - FragmentLength: FragmentLength - StandardDeviation: StandardDeviation - BootstrapSamples: BootstrapSamples - out: [outFolder] - - collectResults: - run: ./yield-dirInDestination.cwl - scatter: inDir - in: - inDir: quant/outFolder - destinationDir: resultsFolder - out: [outDir] + quant: + run: kallisto-quant.cwl + scatter: [InputReads, QuantOutfolder] + scatterMethod: dotproduct + in: + InputReads: + source: sampleRecord + valueFrom: $(self.readsOfOneSample) + QuantOutfolder: + source: sampleRecord + valueFrom: $(self.sampleName) + Index: index/index + isSingle: isSingle + FragmentLength: FragmentLength + StandardDeviation: StandardDeviation + BootstrapSamples: BootstrapSamples + out: [kallistoQuantOutDir] + collectResults: + run: ./gather-dirs.cwl + in: + inDirs: quant/kallistoQuantOutDir + destinationDir: resultsFolder + out: [outDir] outputs: - finalOut: - type: Directory[] + kallistoOutDir: + type: Directory outputSource: collectResults/outDir + diff --git a/workflows/kallisto/yield-dirInDestination.cwl b/workflows/kallisto/yield-dirInDestination.cwl deleted file mode 100644 index bc90cb81f1a907735bd433d6117c55872c213f92..0000000000000000000000000000000000000000 --- a/workflows/kallisto/yield-dirInDestination.cwl +++ /dev/null @@ -1,19 +0,0 @@ -cwlVersion: v1.2 -class: ExpressionTool -doc: | - Takes a directory (e.g. from a workflow step) and yields it in a desired directory. -requirements: - - class: InlineJavascriptRequirement -inputs: - inDir: Directory - destinationDir: string -expression: | - ${ - return {"outDir": { - "class": "Directory", - "basename": inputs.destinationDir, - "listing": [inputs.inDir] - } }; - } -outputs: - outDir: Directory \ No newline at end of file