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Update package to use python version to 3.14 - #128

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David-Araripe wants to merge 4 commits into
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chore/python-3.14
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Update package to use python version to 3.14#128
David-Araripe wants to merge 4 commits into
mainfrom
chore/python-3.14

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@David-Araripe

@David-Araripe David-Araripe commented Sep 9, 2026

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We currently have Python 3.10 listed on pyproject.toml and on the environment installation commands in the README.md. This version is reaching end of life (EOL) later this year, where security updates are planned to stop happening. See the figure and the following link for an illustration of the timelines:

python end of life

This PR updated the base version to Python 3.14, the latest non-prerelease version. A future improvement to the package would be to support different versions.

Modernize type annotations, explicit zip behavior, and exception syntax for the Python 3.14 formatter and Ruff targets.
Align packaging metadata, Black, Ruff, and isort with the Python 3.14 minimum and 110-character formatting policy.
Update Linux and macOS instructions to use OpenMM 8.4, OpenFF Toolkit 0.18.1, and OpenFF NAGL 0.5.5, the earliest compatible direct pins verified for Python 3.14.
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