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Make sure we test with numpy 2#91

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mikemhenry merged 3 commits intomainfrom
numpy-2
Feb 13, 2026
Merged

Make sure we test with numpy 2#91
mikemhenry merged 3 commits intomainfrom
numpy-2

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@atravitz
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@atravitz atravitz commented Apr 22, 2025

leave this in draft until dependencies are resolved. currently blocked by openff-models

error    libmamba Could not solve for environment specs
    The following packages are incompatible
    ├─ gufe >=1.0 * is installable and it requires
    │  └─ openff-models ~=0.1.2 *, which requires
    │     └─ numpy =1 *, which can be installed;
    └─ numpy ~=2.0 * is not installable because it conflicts with any installable versions previously reported.

ruff NPY-201 check passes

related to OpenFreeEnergy/openfe#1239 (comment)

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@atravitz atravitz changed the title numpy 2 pin [dnm] testing numpy 2 compatibility Jun 25, 2025
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update: since this test env requires openfe (for benchmarking?), numpy 2.0 support will happen after we release openfe 1.5.0

@IAlibay
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IAlibay commented Jun 26, 2025

update: since this test env requires openfe (for benchmarking?), numpy 2.0 support will happen after we release openfe 1.5.0

This seems like a bit of a cyclic dependency. From what I can tell it only ever uses openfe for viz things, I'll open an issue.

@atravitz
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update: since this test env requires openfe (for benchmarking?), numpy 2.0 support will happen after we release openfe 1.5.0

This seems like a bit of a cyclic dependency. From what I can tell it only ever uses openfe for viz things, I'll open an issue.

update: since this test env requires openfe (for benchmarking?), numpy 2.0 support will happen after we release openfe 1.5.0

This seems like a bit of a cyclic dependency. From what I can tell it only ever uses openfe for viz things, I'll open an issue.

yes exactly, thank you!

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No API break detected ✅

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codecov bot commented Feb 13, 2026

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 98.18%. Comparing base (816c572) to head (f6b8cf9).
⚠️ Report is 1 commits behind head on main.

Additional details and impacted files
@@           Coverage Diff           @@
##             main      #91   +/-   ##
=======================================
  Coverage   98.18%   98.18%           
=======================================
  Files          13       13           
  Lines         661      661           
=======================================
  Hits          649      649           
  Misses         12       12           

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@mikemhenry
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I don't think its bad to have this in the env to ensure that we are pulling in numpy 2

@mikemhenry mikemhenry changed the title [dnm] testing numpy 2 compatibility Make sure we test with numpy 2 Feb 13, 2026
@mikemhenry mikemhenry marked this pull request as ready for review February 13, 2026 18:03
@mikemhenry mikemhenry merged commit 8aab3c5 into main Feb 13, 2026
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3 participants