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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

Test against toolkit branch #279

Closed mattwthompson closed 2 months ago

mattwthompson commented 3 months ago

https://github.com/openforcefield/openff-toolkit/pull/1862

mattwthompson commented 3 months ago

This isn't segfaulting, but it's hanging. I think the toolkit branch resolves #278 but maybe not #275

mattwthompson commented 2 months ago

I think this is ultimately duplicated effort

It'd still be nice to get --durations=20 in