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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
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Testing fixes #225

Closed jthorton closed 9 months ago

jthorton commented 1 year ago

It looks like the current testing environment is able to pull down a broken combination of openff-units=0.2.0 and pint=0.22 in which the to_openmm method is missing or the quantities are pint objects and not openff unit objects.

cc @mattwthompson

mattwthompson commented 1 year ago

I think we also have to pull down pint=0.21 - I should patch the repodata for this

mattwthompson commented 9 months ago

I think this is outdated now, or possibly fixed upstream?