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Update CI.yaml for Py3.12 and drop Py3.8 #98

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merged 13 commits into from
Feb 12, 2024

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@hmacdope hmacdope commented Dec 30, 2023

Fixes #97

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  • Ready to go

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codecov bot commented Dec 30, 2023

Codecov Report

Merging #98 (d2569f0) into main (514472c) will not change coverage.
The diff coverage is n/a.

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@hmacdope
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@orionarcher the blocker for Python 12 here is the pandas upper pin. What was the reasoning behind that to begin with before I change it?

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hmacdope commented Jan 8, 2024

@IAlibay tagging for reference.

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Added missing setuptools.

'mdanalysis>=2.0.0',
'pytest',
'matplotlib',
'setuptools',
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Huh setuptools as a runtime dependency is really rare - what are you using it for? Usually it goes under build time dependencies.

P.S. if you drop versioneer you could drop setup.py completely I think

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using pkg_resources in python 3.12 has an explicit dependency on setuptools now. IIRC there is a replacement but I was too lazy to search it out.

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I always mess up the versioningit setup for some reason.

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Ah yeah - I'd drop pkg_resources, best thing is to use importlib. Here's the giant MDA example 😅 : https://github.com/MDAnalysis/mdanalysis/blob/develop/testsuite/MDAnalysisTests/datafiles.py

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re: versioningit setup - here's the recent change we did for waterdynamics, hopefully should give you all the things that need changing: https://github.com/MDAnalysis/waterdynamics/pull/28/files

@hmacdope hmacdope mentioned this pull request Feb 12, 2024
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Thanks for the maintenance work here @hmacdope. The pin to 2.2 should kill two birds with one stone. Will merge when tests are passing.

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@orionarcher I think it might be good to just cut a release after this, brings us in line with NEP29 and also probably good to resolve pin on conda-forge feedstock also. Let me know what you think.

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Agreed and will do!

@orionarcher orionarcher merged commit 8dca230 into MDAnalysis:main Feb 12, 2024
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Check Python 3.12 compatibility with develop version of MDAnalysis
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