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A project I'm working on is looking at adding testing and support for python 3.13. Parmed is one of the dependencies that can't be installed via conda-forge with python 3.13. I played around with installing from source along with python 3.13, and everything seems to work correctly after bumping up the version of rdkit in the environment-dev.yaml file. I figured it would be worth making a PR that includes this change and adds python 3.13 to the test matrix.

@chrisjonesBSU
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I made one small change to an openmm unit test. Per the release notes from OpenMM 8.2 LangevinMiddleIntegrator is used instead of LangevinIntegrator.

@swails swails merged commit f1b07c9 into ParmEd:master Feb 25, 2025
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@chrisjonesBSU chrisjonesBSU deleted the py313 branch February 25, 2025 17:01
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2 participants