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Update to Python 3.12 #526

Merged
merged 8 commits into from
Mar 21, 2024
Merged

Update to Python 3.12 #526

merged 8 commits into from
Mar 21, 2024

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Lnaden
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@Lnaden Lnaden commented Mar 21, 2024

Closes #516 by retrying it. Easier to make a new PR for it. We'll need to do this to make PyMBAR 3.12 viable on Conda-Forge due to the versioneer changes. Python 3.8 and 3.12 pass locally.

Thanks to @mattwthompson who made the initial PR which this just uses that code directly.

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Lnaden commented Mar 21, 2024

This also closes #524 by fixing the Jax config import. That PR would have fixed the problem for most other codes, but JAX does something weird under the hood where the try...except around from jax.config import config would wind up mangling the namespace for config which removed the ability to check for x64_enabled. The change on this PR fixes that by providing a single call which works in pre and post 0.3.25.

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Lnaden commented Mar 21, 2024

I do also want to credit and thank @nielskm for opening the PR which called attention to the JAX issue.

@Lnaden Lnaden merged commit 1b50851 into choderalab:master Mar 21, 2024
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@Lnaden Lnaden deleted the py312 branch March 21, 2024 16:50
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2 participants