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#%Module
set name gromacs
set version 5
conflict $name
# source common definitions
source [file dirname $ModulesCurrentModulefile]/../.common
# available software-specific flavors
set flavorlist [availForFlavorModule standard plumed]
# builds available for following compiler and get selected one
set buildcompiler [availForBuildModule compiler intel/17 intel/15 gcc/4.8 gcc/8 pgi/18]
# builds available for following mpi and get selecled one
set buildmpi [availForBuildModule mpi openmpi/2.0 intelmpi/17]
# compute installation path based on selected toolchain and flavors
set prefix [getInstallPrefix]
# set software environment
append-path PATH $prefix/bin
append-path LD_LIBRARY_PATH $prefix/lib64
append-path MANPATH $prefix/share/man
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