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Comet executable version differs in quay container and repo #106

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jonasscheid opened this issue Mar 19, 2024 · 5 comments
Open

Comet executable version differs in quay container and repo #106

jonasscheid opened this issue Mar 19, 2024 · 5 comments

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@jonasscheid
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jonasscheid commented Mar 19, 2024

Comet executable in recent container quay.io/biocontainers/openms-thirdparty:3.1.0--h9ee0642_3 differs from the one in this repo.

Container version: TOPPBase.cpp(1588): Comet Version extracted is: '# comet_version 2023.01 rev. 0

Version in this repo: TOPPBase.cpp(1630): Comet Version extracted is: '# comet_version 2023.01 rev. 2 (7c9150d)

Not sure how that could happen. @timosachsenberg Any ideas? They comet executable was exchanged a year ago --> commit
before the 3.1.0 release.

The most recent comet version is needed to make sure the pin output and pepxml output of comet are the same. For more information see release

Let me know if I can assist with anything

@timosachsenberg
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comet-ms bioconda is at 2023010-2 so this seems recent
hmm recipe links to: https://github.com/bioconda/bioconda-recipes/blob/master/recipes/openms-meta/meta.yaml#L146
maybe one needs to specify 2023010-2 there and rebuild the package?
or just do a rebuild?
@jpfeuffer do you know

@jpfeuffer
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Yes, update and rebuild is the safest.

@jonasscheid
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jonasscheid commented Mar 19, 2024

Looks like the most recent release of comet is not on bioconda.. https://github.com/bioconda/bioconda-recipes/blob/c47bb585be9496842599e2e512a35dd120239528/recipes/comet-ms/meta.yaml#L10

So first we need to update that one and then rebuild. I can update comet and see if a simple version bump helps.

@jonasscheid
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