Skip to content

Release 1.8.0 - Major changes with quantms-rescoring, openms, qpx#710

Merged
ypriverol merged 205 commits into
masterfrom
dev
Jun 24, 2026
Merged

Release 1.8.0 - Major changes with quantms-rescoring, openms, qpx#710
ypriverol merged 205 commits into
masterfrom
dev

Conversation

@daichengxin

Copy link
Copy Markdown
Collaborator

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 bigbio/quantms branch on the nf-core/test-datasets repository.
  • Make sure your code lints (nf-core pipelines 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).

daichengxin and others added 30 commits January 12, 2026 09:54
Co-authored-by: jpfeuffer <8102638+jpfeuffer@users.noreply.github.com>
…tion

Co-authored-by: jpfeuffer <8102638+jpfeuffer@users.noreply.github.com>
Co-authored-by: jpfeuffer <8102638+jpfeuffer@users.noreply.github.com>
Co-authored-by: jpfeuffer <8102638+jpfeuffer@users.noreply.github.com>
Co-authored-by: jpfeuffer <8102638+jpfeuffer@users.noreply.github.com>
Bump version to new release cycle. Add SDRF agent skill
…tandard

Enable ext.args support in GENERATE_CFG module
…nput

Deprecate OpenMS experimental design format, enforce SDRF-only input
@qodo-code-review

Copy link
Copy Markdown
Contributor

Qodo reviews are paused for this user.

Troubleshooting steps vary by plan Learn more →

On a Teams plan?
Reviews resume once this user has a paid seat and their Git account is linked in Qodo.
Link Git account →

Using GitHub Enterprise Server, GitLab Self-Managed, or Bitbucket Data Center?
These require an Enterprise plan - Contact us
Contact us →

@coderabbitai

coderabbitai Bot commented Jun 23, 2026

Copy link
Copy Markdown
Contributor

Important

Review skipped

Too many files!

This PR contains 189 files, which is 39 over the limit of 150.

To get a review, narrow the scope:
• coderabbit review --type committed # exclude uncommitted changes
• coderabbit review --dir # limit to a subdirectory
• coderabbit review --base # compare against a closer base

Upgrade to a paid plan to raise the limit.

⚙️ Run configuration

Configuration used: defaults

Review profile: CHILL

Plan: Pro

Run ID: 0b886ff8-f138-4502-a59e-e44c8fe6944e

📥 Commits

Reviewing files that changed from the base of the PR and between e719f43 and 606bac0.

⛔ Files ignored due to path filters (14)
  • docs/images/full-DDA.svg is excluded by !**/*.svg
  • docs/images/id-dda-pipeline.png is excluded by !**/*.png
  • docs/images/id_pipeline.png is excluded by !**/*.png
  • docs/images/id_pipeline.svg is excluded by !**/*.svg
  • docs/images/quantms.png is excluded by !**/*.png
  • docs/images/quantms.svg is excluded by !**/*.svg
  • docs/images/quantms_lfq.svg is excluded by !**/*.svg
  • docs/images/quantms_metro.drawio.svg is excluded by !**/*.svg
  • docs/images/quantms_metro.png is excluded by !**/*.png
  • modules/bigbio/onsite/tests/main.nf.test.snap is excluded by !**/*.snap
  • modules/bigbio/thermorawfileparser/tests/main.nf.test.snap is excluded by !**/*.snap
  • modules/nf-core/custom/dumpsoftwareversions/tests/main.nf.test.snap is excluded by !**/*.snap
  • modules/nf-core/multiqc/tests/main.nf.test.snap is excluded by !**/*.snap
  • subworkflows/nf-core/utils_nfcore_pipeline/tests/main.nf.test.snap is excluded by !**/*.snap
📒 Files selected for processing (189)
  • .github/PULL_REQUEST_TEMPLATE.md
  • .github/actions/get-shards/action.yml
  • .github/actions/nf-test/action.yml
  • .github/skills/sdrf/SKILL.md
  • .github/workflows/branch.yml
  • .github/workflows/ci.yml
  • .github/workflows/clean-up.yml
  • .github/workflows/diann_private.yml
  • .github/workflows/download_pipeline.yml
  • .github/workflows/extended_ci.yml
  • .github/workflows/fix_linting.yml
  • .github/workflows/linting.yml
  • .github/workflows/linting_comment.yml
  • .github/workflows/nf-test.yml
  • .github/workflows/release-announcements.yml
  • .github/workflows/template-version-comment.yml
  • .gitignore
  • .nf-core.yml
  • .pre-commit-config.yaml
  • .prettierignore
  • .vscode/settings.json
  • AGENTS.md
  • CHANGELOG.md
  • CITATIONS.md
  • README.md
  • assets/adaptivecard.json
  • assets/multiqc_config.yml
  • assets/slackreport.json
  • assets/tmt18plex_default_correction.matrix
  • bin/msstats_plfq.R
  • bin/msstats_tmt.R
  • bin/msstats_utils.R
  • conf/base.config
  • conf/dev.config
  • conf/modules/id.config
  • conf/modules/lfq.config
  • conf/modules/modules.config
  • conf/modules/shared.config
  • conf/modules/tmt.config
  • conf/modules/verbose_modules.config
  • conf/tests/test_dia.config
  • conf/tests/test_full_dia.config
  • conf/tests/test_full_lfq.config
  • conf/tests/test_full_tmt.config
  • conf/tests/test_latest_dia.config
  • conf/tests/test_lfq.config
  • conf/tests/test_lfq_sage.config
  • conf/tests/test_localize.config
  • docs/CONTRIBUTING.md
  • docs/output.md
  • docs/usage.md
  • main.nf
  • modules.json
  • modules/bigbio/onsite/environment.yml
  • modules/bigbio/onsite/main.nf
  • modules/bigbio/onsite/meta.yml
  • modules/bigbio/onsite/tests/main.nf.test
  • modules/bigbio/thermorawfileparser/environment.yml
  • modules/bigbio/thermorawfileparser/main.nf
  • modules/bigbio/thermorawfileparser/meta.yml
  • modules/bigbio/thermorawfileparser/tests/main.nf.test
  • modules/bigbio/thermorawfileparser/thermorawfileparser.diff
  • modules/local/diann/assemble_empirical_library/main.nf
  • modules/local/diann/assemble_empirical_library/meta.yml
  • modules/local/diann/convert_results/main.nf
  • modules/local/diann/convert_results/meta.yml
  • modules/local/diann/final_quantification/main.nf
  • modules/local/diann/final_quantification/meta.yml
  • modules/local/diann/generate_cfg/main.nf
  • modules/local/diann/generate_cfg/meta.yml
  • modules/local/diann/individual_analysis/main.nf
  • modules/local/diann/individual_analysis/meta.yml
  • modules/local/diann/insilico_library_generation/main.nf
  • modules/local/diann/insilico_library_generation/meta.yml
  • modules/local/diann/preliminary_analysis/main.nf
  • modules/local/diann/preliminary_analysis/meta.yml
  • modules/local/msstats/msstats_lfq/main.nf
  • modules/local/msstats/msstats_lfq/meta.yml
  • modules/local/msstats/msstats_tmt/main.nf
  • modules/local/msstats/msstats_tmt/meta.yml
  • modules/local/openms/comet/main.nf
  • modules/local/openms/comet/meta.yml
  • modules/local/openms/consensusid/main.nf
  • modules/local/openms/consensusid/meta.yml
  • modules/local/openms/false_discovery_rate/main.nf
  • modules/local/openms/false_discovery_rate/meta.yml
  • modules/local/openms/generate_decoy_database/main.nf
  • modules/local/openms/id_conflict_resolver/main.nf
  • modules/local/openms/id_conflict_resolver/meta.yml
  • modules/local/openms/id_filter/main.nf
  • modules/local/openms/id_filter/meta.yml
  • modules/local/openms/id_mapper/main.nf
  • modules/local/openms/id_mapper/meta.yml
  • modules/local/openms/id_merger/main.nf
  • modules/local/openms/id_ripper/main.nf
  • modules/local/openms/id_ripper/meta.yml
  • modules/local/openms/id_score_switcher/main.nf
  • modules/local/openms/id_score_switcher/meta.yml
  • modules/local/openms/index_peptides/main.nf
  • modules/local/openms/index_peptides/meta.yml
  • modules/local/openms/isobaric_analyzer/main.nf
  • modules/local/openms/isobaric_analyzer/meta.yml
  • modules/local/openms/isobaric_workflow/main.nf
  • modules/local/openms/isobaric_workflow/meta.yml
  • modules/local/openms/luciphor/main.nf
  • modules/local/openms/luciphor/meta.yml
  • modules/local/openms/msgf/main.nf
  • modules/local/openms/msgf/meta.yml
  • modules/local/openms/msstats_converter/main.nf
  • modules/local/openms/mzml_indexing/main.nf
  • modules/local/openms/openms_peak_picker/main.nf
  • modules/local/openms/percolator/main.nf
  • modules/local/openms/percolator/meta.yml
  • modules/local/openms/protein_inference_epifany/main.nf
  • modules/local/openms/protein_inference_epifany/meta.yml
  • modules/local/openms/protein_inference_generic/main.nf
  • modules/local/openms/protein_inference_generic/meta.yml
  • modules/local/openms/protein_quantifier/main.nf
  • modules/local/openms/protein_quantifier/meta.yml
  • modules/local/openms/proteomicslfq/main.nf
  • modules/local/openms/proteomicslfq/meta.yml
  • modules/local/openms/sage/main.nf
  • modules/local/openms/sage/meta.yml
  • modules/local/preprocess_expdesign/main.nf
  • modules/local/samplesheet_check/main.nf
  • modules/local/samplesheet_check/meta.yml
  • modules/local/utils/decompress_dotd/main.nf
  • modules/local/utils/extract_sample/main.nf
  • modules/local/utils/extract_sample/meta.yml
  • modules/local/utils/msrescore_features/main.nf
  • modules/local/utils/msrescore_features/meta.yml
  • modules/local/utils/msrescore_fine_tuning/main.nf
  • modules/local/utils/msrescore_fine_tuning/meta.yml
  • modules/local/utils/mzml_statistics/main.nf
  • modules/local/utils/psm_clean/main.nf
  • modules/local/utils/psm_clean/meta.yml
  • modules/local/utils/psm_conversion/main.nf
  • modules/local/utils/psm_conversion/meta.yml
  • modules/local/utils/spectrum_features/main.nf
  • modules/local/utils/spectrum_features/meta.yml
  • modules/local/utils/tdf2mzml/main.nf
  • modules/nf-core/custom/dumpsoftwareversions/environment.yml
  • modules/nf-core/custom/dumpsoftwareversions/main.nf
  • modules/nf-core/custom/dumpsoftwareversions/meta.yml
  • modules/nf-core/custom/dumpsoftwareversions/templates/dumpsoftwareversions.py
  • modules/nf-core/custom/dumpsoftwareversions/tests/main.nf.test
  • modules/nf-core/multiqc/.conda-lock/linux_amd64-bd-c1f4a7982b743963_1.txt
  • modules/nf-core/multiqc/.conda-lock/linux_amd64-bd-db7c73dae76bc9e6_1.txt
  • modules/nf-core/multiqc/.conda-lock/linux_arm64-bd-40bf3b435e89dc22_1.txt
  • modules/nf-core/multiqc/.conda-lock/linux_arm64-bd-d167b8012595a136_1.txt
  • modules/nf-core/multiqc/environment.yml
  • modules/nf-core/multiqc/main.nf
  • modules/nf-core/multiqc/meta.yml
  • modules/nf-core/multiqc/tests/main.nf.test
  • modules/nf-core/multiqc/tests/nextflow.config
  • nextflow.config
  • nextflow_schema.json
  • ro-crate-metadata.json
  • subworkflows/local/create_input_channel/main.nf
  • subworkflows/local/create_input_channel/meta.yml
  • subworkflows/local/dda_id/main.nf
  • subworkflows/local/dda_id/meta.yml
  • subworkflows/local/feature_mapper/main.nf
  • subworkflows/local/feature_mapper/meta.yml
  • subworkflows/local/file_preparation/main.nf
  • subworkflows/local/id/main.nf
  • subworkflows/local/id/meta.yml
  • subworkflows/local/input_check/main.nf
  • subworkflows/local/input_check/meta.yml
  • subworkflows/local/peptide_database_search/main.nf
  • subworkflows/local/phospho_scoring/main.nf
  • subworkflows/local/protein_inference/main.nf
  • subworkflows/local/protein_inference/meta.yml
  • subworkflows/local/protein_quant/main.nf
  • subworkflows/local/protein_quant/meta.yml
  • subworkflows/local/psm_fdr_control/main.nf
  • subworkflows/local/psm_fdr_control/meta.yml
  • subworkflows/local/psm_rescoring/main.nf
  • subworkflows/local/utils_nfcore_quantms_pipeline/main.nf
  • subworkflows/nf-core/utils_nfcore_pipeline/main.nf
  • subworkflows/nf-core/utils_nfcore_pipeline/tests/main.nf.test
  • subworkflows/nf-core/utils_nfschema_plugin/main.nf
  • subworkflows/nf-core/utils_nfschema_plugin/tests/nextflow.config
  • tests/default.nf.test
  • tests/nextflow.config
  • workflows/dia.nf
  • workflows/lfq.nf
  • workflows/quantms.nf
  • workflows/tmt.nf

You can disable this status message by setting the reviews.review_status to false in the CodeRabbit configuration file.

Use the checkbox below for a quick retry:

  • 🔍 Trigger review
✨ Finishing Touches
🧪 Generate unit tests (beta)
  • Create PR with unit tests
  • Commit unit tests in branch dev

Thanks for using CodeRabbit! It's free for OSS, and your support helps us grow. If you like it, consider giving us a shout-out.

❤️ Share

Comment @coderabbitai help to get the list of available commands.

@github-actions

github-actions Bot commented Jun 23, 2026

Copy link
Copy Markdown

nf-core pipelines lint overall result: Passed ✅ ⚠️

Posted for pipeline commit 606bac0

+| ✅ 117 tests passed       |+
#| ❔  17 tests were ignored |#
!| ❗   9 tests had warnings |!
Details

❗ Test warnings:

  • pipeline_todos - TODO string in nextflow.config: Optionally, you can add a pipeline-specific nf-core config at https://github.com/nf-core/configs
  • pipeline_todos - TODO string in CONTRIBUTING.md: Add any pipeline specific contribution guidelines here, such as coding styles, procedures, checklists etc.
  • pipeline_todos - TODO string in nextflow.config: Specify any additional parameters here
  • pipeline_todos - TODO string in base.config: Check the defaults for all processes
  • pipeline_todos - TODO string in base.config: Customise requirements for specific processes.
  • pipeline_if_empty_null - ifEmpty(null) found in /home/runner/work/quantms/quantms/lint_results.md: _* pipeline_if_empty_null - ifEmpty(null) found in /home/runner/work/quantms/quantms/subworkflows/local/dda_id/main.nf: _ ch_software_versions = ch_software_versions.mix(PHOSPHO_SCORING.out.versions.ifEmpty(null))
    _
  • pipeline_if_empty_null - ifEmpty(null) found in /home/runner/work/quantms/quantms/lint_results.md: _* pipeline_if_empty_null - ifEmpty(null) found in /home/runner/work/quantms/quantms/subworkflows/local/id/main.nf: _ ch_software_versions = ch_software_versions.mix(PHOSPHO_SCORING.out.versions.ifEmpty(null))
    _
  • pipeline_if_empty_null - ifEmpty(null) found in /home/runner/work/quantms/quantms/subworkflows/local/dda_id/main.nf: _ ch_software_versions = ch_software_versions.mix(PHOSPHO_SCORING.out.versions.ifEmpty(null))
    _
  • pipeline_if_empty_null - ifEmpty(null) found in /home/runner/work/quantms/quantms/subworkflows/local/id/main.nf: _ ch_software_versions = ch_software_versions.mix(PHOSPHO_SCORING.out.versions.ifEmpty(null))
    _

❔ Tests ignored:

✅ Tests passed:

Run details

  • nf-core/tools version 4.0.2
  • Run at 2026-06-24 12:37:16

@ypriverol ypriverol self-requested a review June 23, 2026 12:05

Copilot AI left a comment

Copy link
Copy Markdown
Contributor

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Pull request overview

Release 1.8.0 updates the quantms Nextflow pipeline to a new processing model (parquet-centric / updated OpenMS tooling), removes DIA-NN + MSstats post-processing from the codebase, and refreshes nf-core template and CI/linting to newer versions.

Changes:

  • Refactor LFQ/TMT workflows to use updated OpenMS components (e.g., IsobaricWorkflow, QPX outputs) and parquet-based ID handling.
  • Remove DIA-NN workflow + MSstats post-processing modules/scripts; update configs, docs, and citations accordingly.
  • Update nf-core template components (MultiQC, schema plugin, utils), test datasets URLs, and CI/linting tooling.

Reviewed changes

Copilot reviewed 188 out of 202 changed files in this pull request and generated 11 comments.

Show a summary per file
File Description
workflows/tmt.nf Refactor TMT workflow to IsobaricWorkflow + converter
workflows/lfq.nf Remove MSstats post step; adjust versions + outputs
tests/nextflow.config Point tests to bigbio/quantms-test-datasets
tests/default.nf.test Snapshot inputs renamed (stable path vs content)
subworkflows/nf-core/utils_nfschema_plugin/tests/nextflow.config Bump nf-schema plugin version
subworkflows/nf-core/utils_nfschema_plugin/main.nf Avoid treating --help true as help string
subworkflows/nf-core/utils_nfcore_pipeline/tests/main.nf.test.snap Add snapshot for utils_nfcore_pipeline tests
subworkflows/nf-core/utils_nfcore_pipeline/tests/main.nf.test Add nf-test coverage for utils_nfcore_pipeline
subworkflows/nf-core/utils_nfcore_pipeline/main.nf Fix emit syntax; remove IM notification helper
subworkflows/local/utils_nfcore_quantms_pipeline/main.nf Remove hook_url notification; add removed-param guard
subworkflows/local/psm_rescoring/main.nf Simplify rescoring to per-file Percolator only
subworkflows/local/psm_fdr_control/meta.yml Remove obsolete subworkflow metadata
subworkflows/local/psm_fdr_control/main.nf Remove obsolete PSM FDR control subworkflow
subworkflows/local/protein_quant/meta.yml Remove obsolete protein quant subworkflow metadata
subworkflows/local/protein_quant/main.nf Remove obsolete protein quant subworkflow
subworkflows/local/protein_inference/meta.yml Remove obsolete protein inference metadata
subworkflows/local/protein_inference/main.nf Remove obsolete protein inference subworkflow
subworkflows/local/phospho_scoring/main.nf Simplify onsite call; remove score switching branch
subworkflows/local/input_check/meta.yml Remove is_sdrf output from contract
subworkflows/local/input_check/main.nf Treat all inputs as SDRF; delegate to samplesheet_check
subworkflows/local/id/meta.yml Remove consensusid/psm_fdr_control components
subworkflows/local/id/main.nf Remove ConsensusID/PSM_FDR_CONTROL path; wire to rescoring
subworkflows/local/file_preparation/main.nf Improve .d handling, optional stats, Nextflow 26 style
subworkflows/local/feature_mapper/meta.yml Remove obsolete subworkflow metadata
subworkflows/local/feature_mapper/main.nf Remove obsolete feature mapper subworkflow
subworkflows/local/dda_id/meta.yml Update declared components (remove removed steps)
subworkflows/local/create_input_channel/meta.yml Remove DIA channel output from contract
modules/nf-core/multiqc/tests/nextflow.config Set MultiQC args for tests
modules/nf-core/multiqc/main.nf Update MultiQC container/version + tuple IO changes
modules/nf-core/multiqc/environment.yml Bump MultiQC conda package to 1.34
modules/nf-core/custom/dumpsoftwareversions/tests/main.nf.test.snap Remove deprecated module tests snapshot
modules/nf-core/custom/dumpsoftwareversions/tests/main.nf.test Remove deprecated module tests
modules/nf-core/custom/dumpsoftwareversions/templates/dumpsoftwareversions.py Remove deprecated module template
modules/nf-core/custom/dumpsoftwareversions/meta.yml Remove deprecated module metadata
modules/nf-core/custom/dumpsoftwareversions/main.nf Remove deprecated dumpsoftwareversions module
modules/nf-core/custom/dumpsoftwareversions/environment.yml Remove deprecated module env
modules/local/utils/tdf2mzml/main.nf Improve rename logic; pass args; avoid same-file rename
modules/local/utils/spectrum_features/meta.yml Update ID format to idparquet
modules/local/utils/spectrum_features/main.nf Update quantms-rescoring image + idparquet interface
modules/local/utils/psm_conversion/meta.yml Remove obsolete psm conversion module metadata
modules/local/utils/psm_conversion/main.nf Remove obsolete psm conversion module
modules/local/utils/psm_clean/meta.yml Update ID format to idparquet
modules/local/utils/psm_clean/main.nf Update container + idparquet interface (cleaning)
modules/local/utils/mzml_statistics/main.nf Bump quantms-utils; pass ext.args
modules/local/utils/msrescore_fine_tuning/meta.yml Update ID format to idparquet
modules/local/utils/msrescore_fine_tuning/main.nf Update container + idparquet interface (fine tuning)
modules/local/utils/msrescore_features/meta.yml Update ID format to idparquet
modules/local/utils/msrescore_features/main.nf Update container + idparquet interface (features)
modules/local/utils/extract_sample/meta.yml Remove obsolete extract sample module metadata
modules/local/utils/extract_sample/main.nf Remove obsolete extract sample module
modules/local/utils/decompress_dotd/main.nf Fix executor check; chmod fix; robust .d rename
modules/local/samplesheet_check/meta.yml Update input/output patterns for SDRF normalization
modules/local/samplesheet_check/main.nf Normalize to *.sdrf.tsv; CSV->TSV conversion; add args
modules/local/preprocess_expdesign/main.nf Bump quantms-utils container
modules/local/openms/sage/meta.yml Update output to idparquet
modules/local/openms/sage/main.nf Update OpenMS image + idparquet output; cleanup
modules/local/openms/proteomicslfq/meta.yml Update ID input to idparquet; remove triqler output
modules/local/openms/proteomicslfq/main.nf Add qpx output; add seeding algorithm param; idparquet
modules/local/openms/protein_quantifier/meta.yml Remove obsolete protein_quantifier module metadata
modules/local/openms/protein_quantifier/main.nf Remove obsolete protein_quantifier module
modules/local/openms/protein_inference_generic/meta.yml Remove obsolete protein inference module metadata
modules/local/openms/protein_inference_generic/main.nf Remove obsolete protein inference module
modules/local/openms/protein_inference_epifany/meta.yml Remove obsolete epifany module metadata
modules/local/openms/protein_inference_epifany/main.nf Remove obsolete epifany module
modules/local/openms/percolator/meta.yml Update input ID format to idparquet
modules/local/openms/percolator/main.nf Update OpenMS image + idparquet output; set score:fdr
modules/local/openms/openms_peak_picker/main.nf Fix inmemory option typo
modules/local/openms/mzml_indexing/main.nf Pass ext.args into FileConverter
modules/local/openms/msgf/meta.yml Update output ID format to idparquet
modules/local/openms/msgf/main.nf Update OpenMS image + idparquet output; env detection
modules/local/openms/luciphor/meta.yml Remove obsolete luciphor module metadata
modules/local/openms/luciphor/main.nf Remove obsolete luciphor module
modules/local/openms/isobaric_workflow/meta.yml Add new module metadata (currently malformed)
modules/local/openms/isobaric_workflow/main.nf New IsobaricWorkflow module wrapper
modules/local/openms/isobaric_analyzer/meta.yml Remove obsolete isobaric_analyzer metadata
modules/local/openms/isobaric_analyzer/main.nf Remove obsolete isobaric_analyzer module
modules/local/openms/index_peptides/meta.yml Update ID format to idparquet
modules/local/openms/index_peptides/main.nf Update output ID format to idparquet
modules/local/openms/id_score_switcher/meta.yml Remove obsolete id_score_switcher metadata
modules/local/openms/id_score_switcher/main.nf Remove obsolete id_score_switcher module
modules/local/openms/id_ripper/meta.yml Remove obsolete id_ripper metadata
modules/local/openms/id_ripper/main.nf Remove obsolete id_ripper module
modules/local/openms/id_merger/main.nf Update merged output to idparquet; simplify prefix logic
modules/local/openms/id_mapper/meta.yml Remove obsolete id_mapper metadata
modules/local/openms/id_mapper/main.nf Remove obsolete id_mapper module
modules/local/openms/id_filter/meta.yml Remove obsolete id_filter metadata
modules/local/openms/id_filter/main.nf Remove obsolete id_filter module
modules/local/openms/id_conflict_resolver/meta.yml Remove obsolete conflict resolver metadata
modules/local/openms/id_conflict_resolver/main.nf Remove obsolete conflict resolver module
modules/local/openms/generate_decoy_database/main.nf Update OpenMS image version
modules/local/openms/false_discovery_rate/meta.yml Remove obsolete FDR module metadata
modules/local/openms/false_discovery_rate/main.nf Remove obsolete FDR module
modules/local/openms/consensusid/meta.yml Remove obsolete consensusid metadata
modules/local/openms/consensusid/main.nf Remove obsolete consensusid module
modules/local/openms/comet/meta.yml Update output ID format to idparquet
modules/local/openms/comet/main.nf Update OpenMS image; idparquet output; simplify iso range
modules/local/msstats/msstats_tmt/meta.yml Remove MSstatsTMT module metadata
modules/local/msstats/msstats_tmt/main.nf Remove MSstatsTMT process
modules/local/msstats/msstats_lfq/meta.yml Remove MSstats module metadata
modules/local/msstats/msstats_lfq/main.nf Remove MSstats LFQ process
modules/local/diann/preliminary_analysis/meta.yml Remove DIA-NN module metadata
modules/local/diann/preliminary_analysis/main.nf Remove DIA-NN process
modules/local/diann/insilico_library_generation/meta.yml Remove DIA-NN module metadata
modules/local/diann/insilico_library_generation/main.nf Remove DIA-NN process
modules/local/diann/individual_analysis/meta.yml Remove DIA-NN module metadata
modules/local/diann/individual_analysis/main.nf Remove DIA-NN process
modules/local/diann/generate_cfg/meta.yml Remove DIA-NN config generator metadata
modules/local/diann/generate_cfg/main.nf Remove DIA-NN config generator process
modules/local/diann/final_quantification/meta.yml Remove DIA-NN final quant metadata
modules/local/diann/final_quantification/main.nf Remove DIA-NN final quant process
modules/local/diann/convert_results/meta.yml Remove DIA-NN conversion metadata
modules/local/diann/convert_results/main.nf Remove DIA-NN conversion process
modules/local/diann/assemble_empirical_library/meta.yml Remove DIA-NN library assembly metadata
modules/local/diann/assemble_empirical_library/main.nf Remove DIA-NN library assembly process
modules/bigbio/thermorawfileparser/thermorawfileparser.diff Patch applied to upstream bigbio module
modules/bigbio/thermorawfileparser/tests/main.nf.test.snap Update snapshots for patched module
modules/bigbio/thermorawfileparser/tests/main.nf.test Update tests for new outputs/topics
modules/bigbio/thermorawfileparser/meta.yml Update module metadata to nf-core schema style
modules/bigbio/thermorawfileparser/main.nf Update IO + versions topic; adjust stub/output naming
modules/bigbio/thermorawfileparser/environment.yml Remove name: key from conda env
modules/bigbio/onsite/tests/main.nf.test.snap Add onsite module snapshots
modules/bigbio/onsite/meta.yml Update onsite metadata schema + idparquet support
modules/bigbio/onsite/environment.yml Bump pyonsite to 0.0.5
modules.json Update pinned module SHAs + apply thermoraw patch
main.nf Remove hook_url from completion workflow inputs
docs/usage.md Document SDRF-only input + new onsite params
conf/tests/test_localize.config Update onsite params + remove MSstats skip flag
conf/tests/test_lfq.config Switch LFQ test input to SDRF-only; remove obsolete params
conf/tests/test_lfq_sage.config Remove redundant tolerances/params
conf/tests/test_latest_dia.config Remove DIA test profile
conf/tests/test_full_tmt.config Switch full TMT testdata URLs to bigbio repo
conf/tests/test_full_lfq.config Switch full LFQ testdata URLs; remove triqler
conf/tests/test_full_dia.config Remove DIA full test profile
conf/tests/test_dia.config Remove DIA test profile
conf/modules/verbose_modules.config Remove publishDir blocks for removed modules
conf/modules/tmt.config Add TMT-specific config (selector currently mismatched)
conf/modules/shared.config Add shared publishDir for SDRF + quant tables + stats
conf/modules/lfq.config Add LFQ-specific ext.args config
conf/modules/id.config Add ID/PSM ext.args config (onsite/percolator/msrescore)
conf/dev.config Update OpenMS and onsite container images
conf/base.config Update retry exit statuses; adjust label resource defaults
CITATIONS.md Remove DIA-NN/Triqler citations; formatting tweak
CHANGELOG.md Add 1.8.0 release notes + breaking changes
bin/msstats_utils.R Remove MSstats helper R script
assets/tmt18plex_default_correction.matrix Reformat file with consistent indentation
assets/slackreport.json Remove Slack notification template
assets/multiqc_config.yml Update release link + idparquet glob
assets/adaptivecard.json Remove Teams adaptive card template
.vscode/settings.json Add VSCode markdown style setting
.prettierignore Remove deleted JSON templates; ignore agent/skill files
.pre-commit-config.yaml Bump prettier; adjust excludes; add nextflow-lint hook
.nf-core.yml Update nf-core template version + pipeline version
.gitignore Replace older ignores with .lineage/ ignore
.github/workflows/template-version-comment.yml Update action pins + docs link
.github/workflows/release-announcements.yml Add Mastodon/Bluesky release announcements
.github/workflows/linting.yml Switch to prek + uv; update action pins (has a logic bug)
.github/workflows/linting_comment.yml Update action pins
.github/workflows/fix_linting.yml Switch fix-linting to prek + Nextflow setup
.github/workflows/extended_ci.yml Bump Nextflow; drop DIA profiles; matrix exec_profile
.github/workflows/diann_private.yml Remove fork-specific DIA workflow
.github/workflows/clean-up.yml Update action pin
.github/workflows/ci.yml Bump Nextflow; drop DIA profile
.github/workflows/branch.yml Update add-pr-comment action pin
.github/PULL_REQUEST_TEMPLATE.md Fix CONTRIBUTING link path
.github/actions/nf-test/action.yml Update setup-nextflow/setup-nf-test/setup-apptainer pins
.github/actions/get-shards/action.yml Update setup-nf-test pin

💡 Add Copilot custom instructions for smarter, more guided reviews. Learn how to get started.

Comment thread .github/workflows/linting.yml
Comment thread modules/local/openms/isobaric_workflow/main.nf
Comment thread modules/local/openms/isobaric_workflow/meta.yml
Comment thread modules/bigbio/thermorawfileparser/main.nf
Comment thread modules/bigbio/thermorawfileparser/main.nf
Comment thread modules/local/utils/psm_clean/main.nf
Comment thread modules/local/utils/msrescore_fine_tuning/main.nf
Comment thread modules/local/utils/msrescore_fine_tuning/main.nf
Comment thread modules/local/utils/msrescore_fine_tuning/main.nf
Comment thread conf/modules/tmt.config
@ypriverol ypriverol merged commit 149493c into master Jun 24, 2026
126 of 132 checks passed
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Development

Successfully merging this pull request may close these issues.

7 participants