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Becksteinlab / MDPOW Public

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drop python 3.7 and testing improvements#249

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orbeckst merged 8 commits intodevelopBecksteinlab/MDPOW:developfrom drop-37Becksteinlab/MDPOW:drop-37Copy head branch name to clipboard

Jun 30, 2023

+203-113

Conversation Commits8 (8)Checks Files changed

Commits

Commits on Jun 30, 2023

bump minimal supported Python to 3.8
orbeckst
committed
removed superfluous imports
orbeckst
committed
workflows.base.project_path() now ALWAYS sorts the dataframe
orbeckst
committed
fixed automated_dihedral_tests that were order sensitive
orbeckst
committed
decrease sensitivity of the mdpow TI test
orbeckst
committed
make runMD_or_exit() more flexible
orbeckst
committed
adapt FEP tests to not trigger GROMACS exclusion/rlist limitation
orbeckst
committed
replaced very deprecated nose names with pytest ones
orbeckst
committed

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