Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Some fixes before the upcoming release #257

Merged
merged 21 commits into from
Apr 30, 2024
Merged

Conversation

WackerO
Copy link
Collaborator

@WackerO WackerO commented Mar 27, 2024

added maxquant profile to nextflow.config, clarified some docu, made obs_name_col optional in report.rmd, fixed FILTER_DIFFTABLE module (changed to python as AWK stopped filtering correctly) (done in #264)

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/differentialabundance 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>).
  • 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).

@WackerO WackerO changed the title added maxquant profile to nextflow.config, clarified some docu, made … Some fixes before the upcoming release Mar 27, 2024
@WackerO
Copy link
Collaborator Author

WackerO commented Mar 27, 2024

Is it necessary to "unbump" the versions?

Copy link

github-actions bot commented Mar 27, 2024

nf-core lint overall result: Passed ✅ ⚠️

Posted for pipeline commit d9fd29a

+| ✅ 268 tests passed       |+
#| ❔   4 tests were ignored |#
!| ❗   5 tests had warnings |!

❗ Test warnings:

  • nextflow_config - Config manifest.version should end in dev: 1.5.0
  • pipeline_todos - TODO string in awsfulltest.yml: You can customise AWS full pipeline tests as required
  • pipeline_todos - TODO string in main.nf: Optionally add in-text citation tools to this list.
  • pipeline_todos - TODO string in main.nf: Optionally add bibliographic entries to this list.
  • pipeline_todos - TODO string in main.nf: Only uncomment below if logic in toolCitationText/toolBibliographyText has been filled!

❔ Tests ignored:

✅ Tests passed:

Run details

  • nf-core/tools version 2.13.1
  • Run at 2024-04-24 11:30:22

Copy link
Member

@pinin4fjords pinin4fjords left a comment

Choose a reason for hiding this comment

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

Mostly OK, but sorry, I think the space thing is a hack, we need a better workaround.

docs/usage.md Outdated Show resolved Hide resolved
docs/usage.md Outdated Show resolved Hide resolved
docs/usage.md Outdated Show resolved Hide resolved
@@ -268,8 +268,9 @@
"properties": {
"proteus_measurecol_prefix": {
"type": "string",
"default": "LFQ intensity ",
"description": "Prefix of the column names of the MaxQuant proteingroups table in which the intensity values are saved; the prefix has to be followed by the sample names that are also found in the samplesheet. Default: 'LFQ intensity '; take care to also consider trailing whitespace between prefix and samplenames."
"default": "LFQ intensity_s",
Copy link
Member

Choose a reason for hiding this comment

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

This seems weird and brittle- too hacky for me. People are going to misunderstand this and get it wrong. We need a different solution - why not just make the proteus module allow for an optional space after the prefix?

Copy link
Collaborator Author

Choose a reason for hiding this comment

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

I generally prefer not having my code assume that a whitespace is necessary and instead just take directly what the user inputs...but I suppose here, the flexible whitespace addition is the best solution. I just updated the proteus module with those changes

nextflow_schema.json Show resolved Hide resolved
WackerO and others added 9 commits April 8, 2024 09:09
Co-authored-by: Jonathan Manning <jonathan.manning@seqera.io>
Co-authored-by: Jonathan Manning <jonathan.manning@seqera.io>
Co-authored-by: Jonathan Manning <jonathan.manning@seqera.io>
…o python); undid the changes to the docs/defaults for --proteus_measurecol_prefix regarding the final space
Copy link
Member

@pinin4fjords pinin4fjords left a comment

Choose a reason for hiding this comment

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

I'm a bit nervous of a complete re-write of a module being smuggled into a set of minor pre-release fixes. I'm concerned it could break something.

Can you clarify why that rewrite is necessary here, and demonstrate clearly that it's doing the same thing?

@@ -2,10 +2,10 @@ process FILTER_DIFFTABLE {

label 'process_single'

conda "conda-forge::gawk=5.1.0"
Copy link
Member

Choose a reason for hiding this comment

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

Re-writing this process in Python is a quite a major change to smuggle into a PR of small fixes ;-).

Can you say why the process was re-written, and demonstrate that the output is the same relative to previous?

Copy link
Collaborator Author

@WackerO WackerO Apr 22, 2024

Choose a reason for hiding this comment

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

If you prefer, I can also do the module change in a separate PR, that's not a problem!

Nope, can't demonstrate that, the output changed; it was incorrect before, that's why I had to change it :') AWK suddenly filtered out all the genes and just produced an empty table (was not the case when I originally added the module).

I tried a lot to change it in AWK but it simply did not work and I have to be honest, I found the AWK code quite painful to deal with as I'm simply not experienced enough with it.

Copy link
Collaborator Author

@WackerO WackerO Apr 22, 2024

Choose a reason for hiding this comment

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

Oh, but as a follow-up, I did check the output. The new module + this code makes it so that the results are the same as the DE genes according to the html report, see here:

filtered_results.zip

Copy link
Member

Choose a reason for hiding this comment

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

Actually, could you raise this as a separate PR? I think that would make more sense and you can post the reasoning and the evidence there.

Copy link
Collaborator Author

Choose a reason for hiding this comment

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

Yes of course, see #264

workflows/differentialabundance.nf Outdated Show resolved Hide resolved
Copy link
Member

@pinin4fjords pinin4fjords left a comment

Choose a reason for hiding this comment

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

LGTM

@WackerO WackerO merged commit fe03ce6 into nf-core:dev Apr 30, 2024
12 checks passed
@WackerO WackerO deleted the prerelease_fixes branch April 30, 2024 06:56
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

2 participants