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Support Pint 0.24.4 / openff-units 0.3.0 #1990

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merged 27 commits into from
Feb 13, 2025
Merged

Support Pint 0.24.4 / openff-units 0.3.0 #1990

merged 27 commits into from
Feb 13, 2025

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mattwthompson
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@mattwthompson mattwthompson commented Jan 2, 2025

With openforcefield/openff-units#104

  • Test against both 0.2.x and 0.3.0 units packages
  • Downpin mypy =0.15

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codecov bot commented Jan 2, 2025

Codecov Report

Attention: Patch coverage is 96.55172% with 1 line in your changes missing coverage. Please review.

Project coverage is 94.11%. Comparing base (9934858) to head (a488524).
Report is 1 commits behind head on main.

Additional details and impacted files

@mattwthompson mattwthompson changed the title Test against Pint 0.24.4 [DNM] Test against Pint 0.24.4 Feb 5, 2025
@mattwthompson mattwthompson marked this pull request as ready for review February 5, 2025 20:43
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@mattwthompson mattwthompson linked an issue Feb 7, 2025 that may be closed by this pull request
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These changes seem backwards-compatible, i.e. a release with this patch should work on 0.2.0 through 0.3.0 versions of the units package

@mattwthompson mattwthompson changed the title [DNM] Test against Pint 0.24.4 Support Pint 0.24.4 / openff-units 0.3.0 Feb 7, 2025
@mattwthompson mattwthompson mentioned this pull request Feb 7, 2025
matrix:
os: [ubuntu-latest, macos-latest]
python-version: ["3.10", "3.11", "3.12"]
rdkit: [true, false]
openeye: [true, false]
new-pint: [false, true]
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Everything touching this variable could be dropped before merge, but I think it's important to show changes with "new" and existing versions of the upsreams

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Looks good, thanks @mattwthompson. One small request to document a super obscure behavior change in the releasehistory, otherwise this is good to go!

openff/toolkit/topology/molecule.py Show resolved Hide resolved
openff/toolkit/topology/molecule.py Show resolved Hide resolved
@mattwthompson mattwthompson merged commit 37e2109 into main Feb 13, 2025
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@mattwthompson mattwthompson deleted the pint-0.24.4 branch February 13, 2025 22:04
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Support Pint 0.24
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