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Published 20 hours ago • verified publisher icon MolSSI

[WIP] Python 3.12 & 3.13 support

Open bennybp opened this issue 2 years ago • 5 comments
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Description

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

Currently blocked by 3.12 support for geometric. See https://github.com/leeping/geomeTRIC/issues/173 (see https://github.com/leeping/geomeTRIC/pull/174 for progress)

Changelog description

Add support for python 3.12

Status

  • [ ] Code base linted
  • [ ] Ready to go

bennybp avatar Oct 25 '23 14:10 bennybp

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

https://github.com/conda-forge/geometric-feedstock/pull/16

mattwthompson avatar Apr 04 '24 17:04 mattwthompson

Yes. Also, torsiondrive is not 3.12 compatible: https://github.com/lpwgroup/torsiondrive/pull/78

bennybp avatar Apr 04 '24 17:04 bennybp

Okay, I have the build issues fixed: https://github.com/conda-forge/geometric-feedstock/pull/17

mattwthompson avatar Apr 04 '24 19:04 mattwthompson

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

mattwthompson avatar Jul 23 '24 14:07 mattwthompson