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updated lobster_tests with recent pymatgen changes #771

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merged 2 commits into from
Mar 13, 2023

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naik-aakash
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Summary

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

Fix

  • Lobsterout parser keys in pymatgen has been updated > tests need to be updated accordingly

@Zhuoying Zhuoying merged commit 17e7a7f into hackingmaterials:main Mar 13, 2023
@Zhuoying
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Hi @naik-aakash, Thanks for the fix. I just merged this since now all failures are from qchem.

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

You are welcome @Zhuoying . 😄

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2 participants