openforcefield / openff-toolkit

The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
http://openforcefield.org
MIT License
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Update NAGL pins in test environments #1859

Closed lilyminium closed 2 months ago

lilyminium commented 2 months ago

Would it be possible to update the NAGL pins to stay current with new 0.3.x releases? Just to check that newer releases don't break anything terrible here. I dropped Python 3.9 in 0.3.8, whereas the toolkit still tests on it, so I've set the lower bound to 0.3.7 here.

codecov[bot] commented 2 months ago

Codecov Report

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

Project coverage is 93.68%. Comparing base (53db31f) to head (fb29567). Report is 1 commits behind head on main.

Additional details and impacted files
mattwthompson commented 2 months ago

FWIW, Interchange is now also 3.10+ so any new toolkit release is subject to that constraint (implicitly or explicitly)