openmmtools
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Update to MolSSI cookiecutter
We should restructure the repo to be consistent with the MolSSI CMS cookiecutter.
This would also be a good opportunity to make sure we add osx
tests.
Also, moving away from the unsupported nose
and switching to pytest
is my best bet to get rid of the annoying and persistent segfaults on macOS.
code coverage would be nice too!