choderalab / perses

Experiments with expanded ensembles to explore chemical space
http://perses.readthedocs.io
MIT License
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Fix resume tests #1150

Closed ijpulidos closed 1 year ago

ijpulidos commented 1 year ago

Some of the tests in test_resume.py use the old and deprecated CLI. We need to fix them to use the new CLI interface.

subprocess.run("perses-relative test.yml", shell=True, check=True, env=env)

Originally posted by @mikemhenry in https://github.com/choderalab/perses/issues/1065#issuecomment-1405304205