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Register Zarrtraj #157

Merged
merged 13 commits into from
Aug 14, 2024
Merged

Register Zarrtraj #157

merged 13 commits into from
Aug 14, 2024

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ljwoods2
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@ljwoods2 ljwoods2 commented Jul 21, 2024

@ljwoods2 ljwoods2 marked this pull request as draft July 21, 2024 19:35
@ljwoods2 ljwoods2 marked this pull request as ready for review July 28, 2024 21:48
@orbeckst orbeckst added the new create a new MDAKit label Aug 1, 2024
mdakits/zarrtraj/metadata.yaml Show resolved Hide resolved
python_requires: ">=3.10"

## str: a specification for the range of MDAnalysis versions supported by this MDAKit
mdanalysis_requires: ">=2.7.0"
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Only works with 2.7.0?

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Just changed this, tests can pass going back to 2.1.0, so will update here and make the change in the next zarrtraj release


## str: the development status of the MDAKit
## See https://pypi.org/classifiers/ for development status classifiers.
development_status: Beta
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@orbeckst
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orbeckst commented Aug 6, 2024

The "latest" test is failing. I haven't had time to look into it but this should pass first.

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ljwoods2 commented Aug 6, 2024

Yes, saw that. This is the ghost in the machine moto duplicate keys with Zarr issue that is driving me insane. I can recreate it locally if I pip install zarrtraj[test] but I can't recreate it if I install the exact same set of dependencies locally via conda since they're resolved in a slightly different way. It only affects a moto AWS server, not an actual AWS bucket.

Edit: tried recreating the issue in a script in an environment the test fails in and could not recreate it. I'm convinced this only occurs within pytest but I have no idea why. Set the tests to skip for now since this doesn't significantly affect test coverage and it won't affect users

I'll do another release and once conda forge gets updated these tests will pass

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ljwoods2 commented Aug 8, 2024

@orbeckst ready for review, whenever you get a chance

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All looks good to me — happy to register it! 🎉

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@orbeckst orbeckst merged commit fd7ca70 into MDAnalysis:main Aug 14, 2024
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2 participants