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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
162 stars 78 forks source link

Use Pydantic v1 API even with v2 #412

Closed Lnaden closed 11 months ago

Lnaden commented 11 months ago

Description

The correct version of #411. I had originally had branched from a point way in the past.

Supersedes #411

Changelog description

Status

codecov[bot] commented 11 months ago

Codecov Report

Merging #412 (2542bdf) into master (1887e71) will decrease coverage by 24.19%. The diff coverage is 83.33%.

Additional details and impacted files
loriab commented 11 months ago

I bet https://github.com/MolSSI/QCElemental/pull/305 has to do with the QChem QCEngineRecords trouble. https://github.com/MolSSI/QCElemental/pull/315 may be on track to solution or just related.