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openforcefield / openff-qcsubmit

Automated tools for submitting molecules to QCFractal
https://openff-qcsubmit.readthedocs.io/en/latest/index.html
MIT License
26 stars 4 forks source link

Also test on M1 hardware #293

Open mattwthompson opened 1 month ago

mattwthompson commented 1 month ago

Description

We found some test failures on M1 hardware, which is not tested here.

Todos

Notable points that this PR has either accomplished or will accomplish.

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Status

mattwthompson commented 1 month ago

This drops the QCArchive stack down to 0.54 because of https://github.com/MolSSI/QCFractal/issues/846

codecov[bot] commented 1 month ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 95.43%. Comparing base (357e2de) to head (803b07d).

Additional details and impacted files