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@atravitz atravitz commented Oct 27, 2025

pinning the development environment.yaml until we verify that openmm/openmm#5069 is fixed.

because this is GPU-related, I see the tests fail locally but it doesn't affect our PR CPU tests.

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@atravitz atravitz requested a review from mikemhenry October 27, 2025 21:24
@atravitz atravitz marked this pull request as draft October 27, 2025 21:50
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codecov bot commented Oct 27, 2025

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 92.88%. Comparing base (7b585fe) to head (44b035f).
⚠️ Report is 1 commits behind head on main.

Additional details and impacted files
@@            Coverage Diff             @@
##             main    #1633      +/-   ##
==========================================
- Coverage   95.33%   92.88%   -2.45%     
==========================================
  Files         183      183              
  Lines       15763    15763              
==========================================
- Hits        15028    14642     -386     
- Misses        735     1121     +386     
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fast-tests 92.88% <ø> (?)
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image

well that doesn't seem right

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image

well that doesn't seem right

ah, this is the pip list

@atravitz atravitz marked this pull request as ready for review October 28, 2025 14:56
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@mikemhenry I think this is good for now, but we want to follow up with a perses vendor and a perses feedstock pin to dask >=2024 so that we're not pulling in a version incompatible with numpy 2

@atravitz atravitz mentioned this pull request Oct 28, 2025
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@atravitz atravitz force-pushed the maint/pin-openmm-version branch from e4eb753 to 44b035f Compare October 28, 2025 20:49
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No API break detected ✅

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LGTM but I had one question about the dask version

@atravitz atravitz merged commit 53c16a8 into main Oct 28, 2025
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@atravitz atravitz deleted the maint/pin-openmm-version branch October 28, 2025 23:04
@atravitz atravitz mentioned this pull request Dec 4, 2025
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3 participants