kassonlab / run_brer

Python package for running bias-resampling ensemble refinement (BRER) simulations
GNU Lesser General Public License v2.1
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Stop using PyPI test server for a patched gmxapi release. #66

Closed eirrgang closed 2 years ago

eirrgang commented 2 years ago

Main gmxapi release on pypi has the necessary CMake workaround as of 0.3.2.post1

Ref #62

eirrgang commented 2 years ago

Waiting for https://gitlab.com/gromacs/gromacs/-/merge_requests/2945