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MolSSI / QCEngine

Quantum chemistry program executor and IO standardizer (QCSchema).
https://molssi.github.io/QCEngine/
BSD 3-Clause "New" or "Revised" License
166 stars 79 forks source link

test CI #445

Closed loriab closed 6 months ago

loriab commented 6 months ago

Description

Heal CI caused by (1) Libint2 making it to c-f proper (not conda-forge/label/libint_dev), (2) psi4 and Libint2 AM expectations out of sync b/c different channels or different builds, (3) expanded Hess capacities raising a different error msg.

Changelog description

Status

codecov[bot] commented 6 months ago

Codecov Report

Merging #445 (247de3d) into master (7cad296) will decrease coverage by 35.77%. The diff coverage is n/a.

:exclamation: Current head 247de3d differs from pull request most recent head 82b7d34. Consider uploading reports for the commit 82b7d34 to get more accurate results

Additional details and impacted files