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Add Boltz #230

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@nbtm-sh nbtm-sh commented Dec 6, 2024 •
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Add Boltz Pipeline to nf-core/proteinfold

To-do:

  • Pass output through to report generator (need to troubleshoot this)
  • Fix download scripts (aria2c gets redirected and downloads a file with a different filename)
  • Improve variable names in schema and DB configs
  • Add tests
  • Update container links to use remote hosts when available

PR checklist

  • This comment contains a description of changes (with reason).
  • If you've fixed a bug or added code that should be tested, add tests!
  • If you've added a new tool - have you followed the pipeline conventions in the contribution docs
  • If necessary, also make a PR on the nf-core/proteinfold branch on the nf-core/test-datasets repository.
  • Make sure your code lints (nf-core lint).
  • Ensure the test suite passes (nextflow run . -profile test,docker --outdir <OUTDIR>).
  • Check for unexpected warnings in debug mode (nextflow run . -profile debug,test,docker --outdir <OUTDIR>).
  • Usage Documentation in docs/usage.md is updated.
  • Output Documentation in docs/output.md is updated.
  • CHANGELOG.md is updated.
  • README.md is updated (including new tool citations and authors/contributors).

@nbtm-sh nbtm-sh marked this pull request as draft December 6, 2024 01:30
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