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[WIP] Python 3.12 support #782

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[WIP] Python 3.12 support #782

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bennybp
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@bennybp bennybp commented Oct 25, 2023

Description

This PR makes the QCArchive packages 3.12 complient, and adds tests

Currently blocked by 3.12 support for geometric. See leeping/geomeTRIC#173 (see leeping/geomeTRIC#174 for progress)

Changelog description

Add support for python 3.12

Status

  • Code base linted
  • Ready to go

@bennybp bennybp force-pushed the py312 branch 2 times, most recently from 4bb0fc6 to f7a807c Compare March 20, 2024 22:25
@mattwthompson
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It looks like the upstream compatibility fixes were merged and released but not yet in conda packages?

https://github.com/leeping/geomeTRIC/releases/tag/1.0.2

conda-forge/geometric-feedstock#16

@bennybp
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bennybp commented Apr 4, 2024

Yes. Also, torsiondrive is not 3.12 compatible: lpwgroup/torsiondrive#78

@mattwthompson
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Okay, I have the build issues fixed: conda-forge/geometric-feedstock#17

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The geomeTRIC 1.0.2 builds are online, I believe this is still blocked by a TorsionDrive release (and builds)

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2 participants