Update OpenMM imports for 7.6 and backwards compatibility

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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Update OpenMM imports for 7.6 and backwards compatibility #160

Closed mattwthompson closed 3 years ago

mattwthompson commented 3 years ago

I noticed tests were failing due to the API breaks in OpenMM 7.6. I tried to update everything to work with the new version (avoiding deprecation warnings) but also be compatible with 7.5.x. I was unable to test everything locally but the major one in ElementFilter should be fixed.

mattwthompson commented 3 years ago

Sounds good - thanks for the quick review @jthorton!