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Becksteinlab / conda-gromacs-5.1.2

Conda package of gromacs 5.1.2 intended for testing purposes.
MIT License
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script to obtain path to GMXRC #3

Closed orbeckst closed 8 years ago

orbeckst commented 8 years ago

We need a way to get the path to GMXRC. Users (and GromacsWrapper) should be able to do something like

gmxrc=$(get_GMXRC 5.1.2)
source $gmxrc
ianmkenney commented 8 years ago

added in 17b33c4f0bb1e2bbc393719fe94fa30ea89d67be

installing via conda install -c becksteinlab gromacs-5.1.2 adds the path to a hidden file in the home directory. The script is added to $HOME and to ~/.local/bin. Has error handling and exit codes so it can be used easily in scripts.