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materialsproject / pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
https://pymatgen.org
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[CI] Multiple unit tests failing for `openbabel` related functions on Windows #4007

Open DanielYang59 opened 3 weeks ago

DanielYang59 commented 3 weeks ago

Singled out from #3985 for visibility.

See the full CI log, multiple unit tests failing for openbabel related functions on Windows (skipped in f3dc772c25cc06b26b0702af37f1d278da8b6169 and f1393af2acfb098fe2e34c0bed193910e6f444e6).

Help needed.

hongyi-zhao commented 2 weeks ago

See https://github.com/materialsproject/pymatgen/pull/3967#issuecomment-2264473437 for a similar problem.

DanielYang59 commented 2 weeks ago

Hi @hongyi-zhao thanks for the comment. However I don't think that's related to this issue, currently matgl doesn't support torch>2.2.1. Those tests have been skipped until matgl resolve that. You should see those CI failures gone once master is merged.

hongyi-zhao commented 2 weeks ago

@DanielYang59 Thank you for pointing this out.