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drop python 3.10, add 3.13 and drop openmm 8.1.2 and test 8.3.1

@mikemhenry mikemhenry mentioned this pull request Jul 25, 2025
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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 71.41%. Comparing base (b299813) to head (726d7b8).
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Additional details and impacted files
@@           Coverage Diff           @@
##             main     #394   +/-   ##
=======================================
  Coverage   71.41%   71.41%           
=======================================
  Files           5        5           
  Lines         822      822           
=======================================
  Hits          587      587           
  Misses        235      235           

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@epretti
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epretti commented Jul 25, 2025

We can probably also update test_charmm.yaml to use Python 3.13 and OpenMM 8.3.1. That's been on 8.2.0dev1 for a while since there was a bug in 8.2.0 preventing the CHARMM validation from working, but it should be fixed now in the 8.3 releases.

@mattwthompson
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Don't know why these are showing up as required checks, but they're not gonna land if they're removed

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Fine with force-merging given the quirk of changing requirements

@mikemhenry mikemhenry merged commit 5d0c607 into main Jul 28, 2025
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@mikemhenry mikemhenry deleted the feat/adjust-ci-matrix branch July 28, 2025 17:29
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5 participants