openforcefield / openff-evaluator

A physical property evaluation toolkit from the Open Forcefield Consortium.
https://docs.openforcefield.org/projects/evaluator
MIT License
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Fix use of wrong unit package in some OpenMM tests #425

Closed mattwthompson closed 2 years ago

mattwthompson commented 2 years ago

Description

Tests have been failing for a month or so. I didn't look at all logs, but last night's include some failures as a result of using OpenMM units where "OpenFF" units should be used. This PR fixes the failing tests locally.

Note that the linting check will fail because of upstream changes in black. These change are incorporated into #423.

Todos

Notable points that this PR has either accomplished or will accomplish.

Questions

Status

mattwthompson commented 2 years ago

Nevermind, this won't work until #413 is complete