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bump openmm to v8.4#1909

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atravitz merged 3 commits intomainfrom
ci/bump_openmm_to_84
Apr 7, 2026
Merged

bump openmm to v8.4#1909
atravitz merged 3 commits intomainfrom
ci/bump_openmm_to_84

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@atravitz atravitz commented Mar 31, 2026

Checklist

  • All new code is appropriately documented (user-facing code must have complete docstrings).
  • Added a news entry, or the changes are not user-facing.
  • Ran pre-commit: you can run pre-commit locally or comment on this PR with pre-commit.ci autofix.

Manual Tests: these are slow so don't need to be run every commit, only before merging and when relevant changes are made (generally at reviewer-discretion).

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codecov Bot commented Mar 31, 2026

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 91.91%. Comparing base (5544db5) to head (ed468d4).
⚠️ Report is 1 commits behind head on main.

Additional details and impacted files
@@            Coverage Diff             @@
##             main    #1909      +/-   ##
==========================================
- Coverage   94.99%   91.91%   -3.08%     
==========================================
  Files         206      206              
  Lines       18287    18287              
==========================================
- Hits        17371    16809     -562     
- Misses        916     1478     +562     
Flag Coverage Δ
fast-tests 91.91% <ø> (?)
slow-tests ?

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@IAlibay IAlibay left a comment

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I'm not sure what the failure was that I was seeing locally with the resuming functionality tests. I reran with a fresh openmm 8.5 and 8.4 envs and it's working fine now, so I'm going to say it was nothing and this is good to go.

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IAlibay commented Apr 2, 2026

Ah no I actually do get a failure, but I think it's only related to OpenMM dev builds, so it doesn't matter here.

@atravitz atravitz marked this pull request as ready for review April 7, 2026 19:52
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github-actions Bot commented Apr 7, 2026

No API break detected ✅

@atravitz atravitz enabled auto-merge (squash) April 7, 2026 21:12
@atravitz atravitz merged commit 41f1684 into main Apr 7, 2026
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@atravitz atravitz deleted the ci/bump_openmm_to_84 branch April 7, 2026 21:26
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