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Becksteinlab / GromacsWrapper

GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).
https://gromacswrapper.readthedocs.org
GNU General Public License v3.0
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release 0.9.0 #281

Closed orbeckst closed 4 months ago

orbeckst commented 4 months ago

Release new minor release (change in Python and GROMACS support and a bunch of fixes).

This release drops installation of the console gw-*.py scripts (#279) – if there are no complaints then we will also not include them in 1.0.0.

orbeckst commented 4 months ago

Added announcement https://github.com/Becksteinlab/GromacsWrapper/discussions/283

orbeckst commented 4 months ago

waiting for the regro-cf PR in https://github.com/conda-forge/gromacswrapper-feedstock/pulls for the conda-forge package

orbeckst commented 4 months ago

cf packages should be up soon thanks to PR https://github.com/conda-forge/gromacswrapper-feedstock/pull/6