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mpi4py 3.0.3 is now up on pypi and includes the updates for Python 3.8
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scripts Basic toolchain to facilitate GMXAPI build Sep 11, 2019
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CTestConfig.cmake Cleaned up endif/else-s in CMakeLists.txt and *.cmake files Mar 17, 2014
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README.md

This is a fork of the GROMACS project that demonstrates the latest gmxapi functionality. The forked project lives on GitHub at https://github.com/kassonlab/gmxapi.

Build Status

This README.md file supplants the main README file to avoid merge conflicts while providing convenient documentation to the repository browser.

See the file README in this directory for more information on GROMACS and this fork.

See the file python_packaging/README.md for more on the organization of this fork.

Refer to Redmine issue 2045 for issue tracking.

View gmxapi documentation, including installation instructions, at http://gmxapi.org/

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