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Openms 2.5 preparation #19989

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merged 30 commits into from
Feb 25, 2020
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jpfeuffer
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This updates the OpenMS recipe to use the release candidate of 2.5.


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  • This PR adds a new recipe.
  • AFAIK, this recipe is directly relevant to the biological sciences
    (otherwise, please submit to the more general purpose conda-forge channel).
  • This PR updates an existing recipe.
  • This PR does something else (explain below).

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@bgruening
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@jpfeuffer any idea about the OSX error? Do you have a local OSX box around?

@jpfeuffer
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Yes, I have a Mac here. But it is probably the "fixup dependencies" patch that has to be redone.
Otherwise the python package ships all libraries again.
I'll try with a patch and then try to make that a build option until release.

@jpfeuffer
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Looks good. We could test adding the GUI tools as well but maybe we do this in another PR later.
Let's wait for the official release now and switch the source package link accordingly.
@bgruening : What python versions would you build? How is the policy in bioconda for which python versions packages should support? I think we have room for two to three versions.

@dpryan79
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dpryan79 commented Feb 2, 2020

@jpfeuffer At the moment we build for 2.7, 3.6 and 3.7 (we'll likely drop 3.6 and add 3.8 soon).

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OO forget to submit the review :(

recipes/openms/conda_build_config.yaml Outdated Show resolved Hide resolved
- seqan-library ==1.4.2
- coinmp
- sqlite
- python {{ python }}
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here you could skip python2 and build everything against python 3x with python >=3

@jpfeuffer
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But how can we otherwise build pyopenms for multiple python versions?

@jpfeuffer
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Our Cython modules are probably not using the limited Python API that is compatible across minor versions. cython/cython#2542

@dpryan79
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dpryan79 commented Feb 6, 2020

There's a project-wide (actually multiple project wide, since conda-forge uses it too) conda_build_config.yaml file that already lists 3 python versions, so it should be needed to specify that again (though we can judge that in an hour or two once we see what's built now).

@jpfeuffer
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Aaaah great. Then, let's see

@dpryan79
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dpryan79 commented Feb 6, 2020

We can recythonize things in each python build if there's a build flag to do that. I think we have to do the same thing with other recipes, like pysam.

@jpfeuffer
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jpfeuffer commented Feb 6, 2020

By the way: I think we should wait for the official release, then I will update the source package and it will be available under a stable github release tag artifact.

@bioconda bioconda deleted a comment from BiocondaBot Feb 6, 2020
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dpryan79 commented Feb 7, 2020

@bioconda-bot please fetch artifacts

@jpfeuffer
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Ok so in case such incompatibility happens, we just have to find the affected package and request a rebuild, right?

@dpryan79
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Correct, just open an issue and maybe mention something in the gitter channel.

@jpfeuffer
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What is happening? This feels unrelated.

@jpfeuffer
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I have the same problem now, that during tests, it suddenly resolves to boost 1.70 as requirement (instead of 1.72 as used during build).
I have no idea why. Just trying things now.

@jpfeuffer
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@BiocondaBot update

@bgruening
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@BiocondaBot please update

- thermorawfileparser ==1.2.1
- xtandem ==15.12.15.2
- gnuplot

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Really like this.

For Galaxy wrappers I currently also inlcude

  • bumbershoot 3_0_11579 (for myrimatch)
  • tpp 5.0.0 (for SpectraSTAdapter)

For you reference here is a list of requirements that is not yet in conda: #18953 .. essentially only MaraCluster is left (and a few which will not make it to conda due to licensing)

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Ah, that's what they are for, thanks, I will add them! Yes, we also figured it would be great if there is an all-in package. And with the new structure, it should be up to the user to choose which parts they need.
Release will hopefully be tomorrow if everything works out.

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This is some awesome work! Thanks a lot @jpfeuffer and all others!

@bgruening
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@jpfeuffer congrats for the release. The PR title is still about preparation, do you want this PR to be merged now or is this still WIP?

@jpfeuffer
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Was about to request the review and merge label. Good to go for me.

@bgruening
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@BiocondaBot please merge

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I will attempt to upload artifacts and merge this PR. This may take some time, please have patience.

@BiocondaBot BiocondaBot merged commit 883a343 into bioconda:master Feb 25, 2020
@bgruening
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Wuhu!

Screenshot_2020-02-25 bioconda Anaconda Cloud

@bernt-matthias
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Already 5 downloads .. one is from a planemo test run. I guess the Galaxy tools are ready soon(ish) :)

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5 participants