Add py3.13 support w/ minimal deps #4732
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Linter Bot Results:Hi @IAlibay! Thanks for making this PR. We linted your code and found the following: There are currently no issues detected! 🎉 |
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## develop #4732 +/- ##
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+ Coverage 93.55% 93.58% +0.02%
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Files 173 185 +12
Lines 21463 22529 +1066
Branches 3987 2993 -994
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+ Hits 20080 21083 +1003
- Misses 929 1002 +73
+ Partials 454 444 -10 ☔ View full report in Codecov by Sentry. |
| actual = err.strip().split('\r')[-1] | ||
| assert actual[:24] == expected[:24] | ||
| assert expected == actual[:15] |
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Why did you switch actual and expected?
Doesn't really matter except for consistency throughout because in testsuite/MDAnalysisTests/lib/test_log.py it's still actual == expected.
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I had originally switched it to a expected in actual check, but decided to revert back to an equality check.
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Reverted the order in the latest commit.
| @@ -345,17 +345,17 @@ def test_verbose_progressbar(u, capsys): | |||
| def test_verbose_progressbar_run(u, capsys): | |||
| FrameAnalysis(u.trajectory).run(verbose=True) | |||
| _, err = capsys.readouterr() | |||
| expected = u'100%|██████████| 98/98 [00:00<00:00, 8799.49it/s]' | |||
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I think the reason why the full output was there originally was to give devs an idea what it looks like even if other parts could not be reliably tested.
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Unfortunately the py3.13 behaviour changed here and I can't work out exactly why - I'm not sure if there's a better way to deal with this without having an explicit python version check :/
| @@ -47,7 +47,7 @@ jobs: | |||
| PYTHON_VERSION: '3.12' | |||
| PYTHON_ARCH: 'x64' | |||
| BUILD_TYPE: 'wheel' | |||
| NUMPY_MIN: '1.26.0' | |||
| NUMPY_MIN: '2.1.0' | |||
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did you mean to change to 3.13 above? I don't think that's a blocker here though
* Add Python 3.13 to minimal CI testing, and include some minor test shims to accommodate.
Python 3.13 should now work with minimal deps. Optional deps like OpenMM don't have compatible releases yet.
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📚 Documentation preview 📚: https://mdanalysis--4732.org.readthedocs.build/en/4732/