shirtsgroup / analyze_foldamers

Tools for structural analysis of coarse-grained foldamer simulations

MIT License

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OpenMM 7.6 imports #40

Closed cwalker7 closed 2 years ago

cwalker7 commented 2 years ago

Description

Updates the import statements to reflect the changes in OpenMM >= 7.6, whereby the 'simtk' is no longer part of the package names. A parallel update to the one for cg_openmm ([https://github.com/shirtsgroup/cg_openmm/pull/146]).

Other changes:

Remove Python 3.6 testing in the CI, and add 3.9.
Remove old angle examples that no longer work
Sort all imports with isort

Status

[x] Ready to go

codecov[bot] commented 2 years ago

Codecov Report

Merging #40 (d4cc7e8) into master (17a7b94) will not change coverage. The diff coverage is 100.00%.