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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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ParmEd 4 breaks examples #1532

Open mattwthompson opened 1 year ago

mattwthompson commented 1 year ago

... but AmberTools bundles an old version, so it's only reported when it's installed as a standalone package.

https://github.com/openforcefield/openff-toolkit/actions/runs/4054363201/jobs/6976102535

mattwthompson commented 1 year ago

False alarm, it's probably an installation issue

mattwthompson commented 1 year ago

Just kidding - the installation process in that workflow is a mess but there is a behavior change that breaks the example

https://github.com/openforcefield/openff-toolkit/actions/runs/4055373564/jobs/6978425617

mattwthompson commented 1 week ago

Blocked by https://github.com/ParmEd/ParmEd/issues/1101