GilsonLabUCSD / pAPRika

Advanced toolkit for binding free energy calculations

BSD 3-Clause "New" or "Revised" License

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Update tests and GA #178

Closed jeff231li closed 2 years ago

jeff231li commented 2 years ago

This PR fixes test_analysis.py::test_ti_block due to an API change in the analysis class. In addition, I've updated some things in theci.yaml file for GA. I'll wait for https://github.com/slochower/pAPRika/pull/177 before merging.

codecov-commenter commented 2 years ago

Codecov Report

Merging #178 (91109a8) into master (5376f44) will increase coverage by 0.03%. The diff coverage is 89.77%.

slochower commented 2 years ago

Actually, looks like everything is passing now.