8000 Fixes for numpy 2.0 (ruff NPY201) by IAlibay · Pull Request #777 · choderalab/openmmtools · GitHub
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Fixes for numpy 2.0 (ruff NPY201) #777

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Merged
merged 1 commit into from
Apr 22, 2025
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IAlibay
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@IAlibay IAlibay commented Apr 22, 2025

Description

Fixes #772

Fixes for NP2.0 found by ruff.

Status

  • Ready to go

Changelog message

ruff fixes for numpy 2.0

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codecov bot commented Apr 22, 2025

Codecov Report

Attention: Patch coverage is 50.00000% with 1 line in your changes missing coverage. Please review.

Project coverage is 85.06%. Comparing base (8045f21) to head (7b7ac08).
Report is 1 commits behind head on main.

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IAlibay commented Apr 22, 2025

cc @ijpulidos and @mikemhenry, looks lik ethis is all we needed?

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that should do it, can you update the env yaml to pull in numpy 2.0 just as a quick check?

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just need to test numpy 2

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IAlibay commented Apr 22, 2025

@mikemhenry the 8.2 runners already pick up numpy 2.0 :)

@mikemhenry mikemhenry merged commit 5cdd135 into choderalab:main Apr 22, 2025
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@IAlibay IAlibay deleted the numpy-2.0 branch April 22, 2025 14:11
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multistatesampler.py dying with AttributeError: np.Inf was removed in the NumPy 2.0 release. Use np.inf instead.
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