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Neoantigen Merge to get some neoantigen branch updates#244

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nikhil merged 20 commits intodevelopfrom
neoantigen
May 7, 2026
Merged

Neoantigen Merge to get some neoantigen branch updates#244
nikhil merged 20 commits intodevelopfrom
neoantigen

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@johnoooh johnoooh commented May 6, 2026

PR checklist

Closes #XXX

  • This comment contains a description of changes (with reason).
  • Check to see if a nf-core module, or subworkflow is available and usable for your pipeline.
  • Feature branch is named feature/<module_name> for modules, or feature/<subworkflow_name> for subworkflows. For modules, if there is a subcommand use: feature/<module_name>/<module_subcommand>.
  • 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 module conventions in the contribution docs.
  • Use nf-core data if possible for nf-tests. If not, use or add test data to mskcc-omics-workflows/test-datasets, following the repository guidelines, for nf-tests. Finally, if neither option is feasible, only add a stub nf-test.
  • Remove all TODO statements.
  • Emit the versions.yml file.
  • Follow the naming conventions.
  • Follow the parameters requirements.
  • Follow the input/output options guidelines.
  • Add a resource label.
  • Use Jfrog if possible to fulfill software requirements.
  • Ensure that the test works with either Docker / Singularity. Conda CI tests can be quite flaky:
    • For modules:
      • nf-core modules --git-remote https://github.com/mskcc-omics-workflows/modules.git -b <module_branch> test <MODULE> --profile docker
      • nf-core modules --git-remote https://github.com/mskcc-omics-workflows/modules.git -b <module_branch> test <MODULE> --profile singularity
      • nf-core modules --git-remote https://github.com/mskcc-omics-workflows/modules.git -b <module_branch> test <MODULE> --profile conda
    • For subworkflows:
      • nf-core subworkflows --git-remote https://github.com/mskcc-omics-workflows/modules.git -b <subworkflow_branch> test <SUBWORKFLOW> --profile docker
      • nf-core subworkflows --git-remote https://github.com/mskcc-omics-workflows/modules.git -b <subworkflow_branch> test <SUBWORKFLOW> --profile singularity
      • nf-core subworkflows --git-remote https://github.com/mskcc-omics-workflows/modules.git -b <subworkflow_branch> test <SUBWORKFLOW> --profile conda

nikhil and others added 20 commits February 9, 2026 15:47
Bash <<- operator only strips leading tabs, not spaces. NF 25.04.0
does not apply stripIndent() to command blocks before writing
.command.sh, so space-indented heredoc content is not recognized.

Convert heredoc content lines and END_VERSIONS terminator to use tab
indentation, which works correctly with both NF 25.04.0 and later
versions that apply stripIndent().

Also replace deprecated new Tuple() constructor calls with Groovy list
literals in subworkflows for NF 26.x forward compatibility.

Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>
Restores 19 non-pipeline modules to their develop state. Only the 16
modules and 3 subworkflows used by the neoantigen pipeline retain the
NF 25.04.0 heredoc tab-indentation fix.

Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>
…whitespace

Update neoangtiegen modules to work with nf-core pipeline testing
…tigen_input_resource

Increased resouce for neoantigen input
…meta

Update file patterns in meta.yml for SV sequences
- C1: Guard empty score_list and zero Kd/KdWT in compute_fitness.py
- C2: Add amino acid X support, missing-key guards, and variable-length
  epitope distance in EpitopeDistance.py
- C3: BioPython PairwiseAligner fallback, empty alignment guard, and
  uppercase normalization in align_neoantigens_to_IEDB.py
- C4: Initialize PTC_exon before loop and guard None best_pepmatch2
  in generate_input.py
- C5: Fix "nonsense_nutation" typo in generate_input.py and
  generateMutFasta.py
- I4: Replace destructive `cat >> inputFasta` with safe
  `cat > combined_input.fa` in netmhcpan4 and netmhcstabpan modules
- I5: Close leaked out_WT_fa file handle in generateMutFasta.py

Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>
Keep only the amino acid X addition and docstring update. Revert
set_model() error handling and variable-length epitope_dist() changes
per review feedback.

Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>
Drop amino acid X and docstring change — the model JSON lacks
X->* entries, causing KeyError at runtime.

Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>
…alyzer_retriever

Add verbose compression type checks for mutalyzer retriever
Replace `I+`/`I-` in variant_type_map with `Fi`/`Fd` so that downstream
MHC tools (which sanitize special characters) cannot collapse two
distinct frameshift classes onto the same `I_` token, which previously
caused a KeyError in generate_input.py when looking up the original
key in mutation_dict.

Changes:
- generateMutFasta.py / generate_input.py: variant_type_map values
  `I+` -> `Fi` (frame_shift_ins), `I-` -> `Fd` (frame_shift_del).
- generate_input.py: `IDsplit[1][0] != \"I\"` widened to also exclude
  the new `F` prefix so frameshifts continue to take the indel branch
  rather than the missense-polymorphism branch. Frameshift detection
  switched from `+`/`-` substring check to `Fi`/`Fd` prefix check.
- Refresh nf-test snapshots (neoantigeninput json,tsv md5; generatemutfasta
  versions.yml md5).

Companion: test fixture rename in mskcc-omics-workflows/test-datasets
(neoantigen branch).
Fix PR #87 review issues: Python bug fixes and .nf module safety
@johnoooh johnoooh marked this pull request as ready for review May 7, 2026 15:17
@johnoooh johnoooh requested review from a team, nikhil and pintoa1-mskcc as code owners May 7, 2026 15:17
@nikhil nikhil merged commit d520d97 into develop May 7, 2026
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