Becksteinlab / GromacsWrapper

GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).

https://gromacswrapper.readthedocs.org

cut release 0.8.1

orbeckst opened this issue 3 years ago · comments

Oliver Beckstein commented 3 years ago

Make a release with recent Py 2/3 fixes.

Run tests for different GROMACS versions #202
update docs to indicate tested Python and GROMACS versions

Release

tag
upload to pypi
make GitHub release