diff --git a/.cwl/cwl-metadata-checklist.md b/.cwl/cwl-metadata-checklist.md new file mode 100644 index 0000000000000000000000000000000000000000..e7b070fda32343db9a484e0c39b84c3c0e484f58 --- /dev/null +++ b/.cwl/cwl-metadata-checklist.md @@ -0,0 +1,80 @@ + +# Checklist for good CWL documents + +based on recommendations from: + +- https://www.commonwl.org/user_guide/topics/best-practices.html +- https://www.commonwl.org/user_guide/topics/metadata-and-authorship.html + +- [Design](#design) + - [Single-step first](#single-step-first) +- [Dependencies](#dependencies) + - [Soft requirements = `hints`](#soft-requirements--hints) + - [Hard requirements = `requirements`](#hard-requirements--requirements) +- [Metadata](#metadata) + - [Namespaces and schemas](#namespaces-and-schemas) + +## Design + +### Keep it Simple: Single-step + +- follow the [KISS principle](https://en.wikipedia.org/wiki/KISS_principle) +- a `CommandLineTool` document should only execute one process +- use `Workflow` documents to design more complex, multi-step pipelines +- use `scatter` to execute the process on multiple inputs +- do not hard code input, output paths + +## Dependencies + +### Soft requirements = `hints` + +Specify software and resource requirements under `hints` + +- add `SoftwareRequirement` to specify software version and reference + - `package: ` name of the software or package + - `specs: ` reference url from https://identifiers.org/biotools/ or SciCrunch https://identifiers.org/rrid/ + - `version: [ "0.11.9" ]` +- add `DockerRequirement` + - reference a local `Dockerfile` or a published Docker image +- add `ResourceRequirement` to specify the required compute resources + +### Hard requirements = `requirements` + +Use the `requirements` primarily to specify hard requirements needed to run the current `CommandLineTool` or `Workflow` document + +## Metadata + +### Namespaces and schemas + +Adding namespaces and schemas allows to reuse them elsewhere in a CWL document + +```yaml +$namespaces: + s: https://schema.org/ + edam: http://edamontology.org/ + +$schemas: + - https://schema.org/version/latest/schemaorg-current-https.rdf + - http://edamontology.org/EDAM_1.18.owl +``` + +### Attribute authors and contributors + +```yaml +s:author: + - class: s:Person + s:identifier: <author ORCID> + s:email: mailto:<author email> + s:name: <author name> + +s:contributor: + - class: s:Person + s:identifier: <contributor ORCID> + s:email: mailto:<contributor email> + s:name: <contributor name> + +s:citation: <DOI to software paper> +s:codeRepository: <URL to software repo (e.g. github)> +s:dateCreated: "2016-12-13" +s:license: <URL to license, e.g. from https://spdx.org/licenses/> +``` diff --git a/workflows/fastqc/fastqc.cwl b/workflows/fastqc/fastqc.cwl index 1954ad092600ec32cd7074488ff8d1111fe142de..4f96fb6ee286f9c022671e00dbdaa04a686f98dc 100644 --- a/workflows/fastqc/fastqc.cwl +++ b/workflows/fastqc/fastqc.cwl @@ -19,10 +19,10 @@ hints: dockerPull: quay.io/biocontainers/fastqc:0.11.9--hdfd78af_1 SoftwareRequirement: packages: - fastqc: + - package: fastqc specs: - https://identifiers.org/biotools/fastqc - - - https://identifiers.org/rrid/RRID:SCR_014583 + - https://identifiers.org/rrid/RRID:SCR_014583 version: [ "0.11.9" ] baseCommand: "fastqc" @@ -58,5 +58,3 @@ $schemas: - https://edamontology.org/EDAM_1.25.owl s:license: https://spdx.org/licenses/GPL-3.0-or-later - - diff --git a/workflows/kallisto/kallisto-index.cwl b/workflows/kallisto/kallisto-index.cwl index 10f879d61317f9d5f3dfc52f7bef054b9bb3c250..595142c66344c41d43b7f54226663cd7a73b1497 100644 --- a/workflows/kallisto/kallisto-index.cwl +++ b/workflows/kallisto/kallisto-index.cwl @@ -33,7 +33,7 @@ hints: dockerPull: quay.io/biocontainers/kallisto:0.51.1--ha4fb952_1 SoftwareRequirement: packages: - kallisto: + - package: kallisto version: [ "0.51.1" ] specs: - https://identifiers.org/rrid/RRID:SCR_016582 diff --git a/workflows/kallisto/kallisto-quant.cwl b/workflows/kallisto/kallisto-quant.cwl index 1a8e6eaa87bbcc8a921d40416092d3768ad5ced5..e250c04c3478d2f34b05b4e0dafd1044e0eb6ce1 100755 --- a/workflows/kallisto/kallisto-quant.cwl +++ b/workflows/kallisto/kallisto-quant.cwl @@ -45,7 +45,7 @@ hints: dockerPull: quay.io/biocontainers/kallisto:0.51.1--ha4fb952_1 SoftwareRequirement: packages: - kallisto: + - package: kallisto version: [ "0.51.1" ] specs: [ https://identifiers.org/biotools/kallisto ]