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hackingmaterials / atomate

atomate is a powerful software for computational materials science and contains pre-built workflows.
https://hackingmaterials.github.io/atomate
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updated lobster_tests with recent pymatgen changes #771

Closed naik-aakash closed 1 year ago

naik-aakash commented 1 year ago

Summary

770 PR updated the pymatgen version in CI and requirements leading to failing lobster tests.

Fix

Zhuoying commented 1 year ago

Hi @naik-aakash, Thanks for the fix. I just merged this since now all failures are from qchem.

naik-aakash commented 1 year ago

Hi @naik-aakash, Thanks for the fix. I just merged this since now all failures are from qchem.

You are welcome @Zhuoying . 😄