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#!/usr/bin/env bash
set -ev
export GMX_DOUBLE=OFF
export GMX_MPI=OFF
export GMX_THREAD_MPI=ON
export GMX_SRC_DIR=gromacs-2019
export CCACHE_DIR=$HOME/.ccache_gmxapi
ccache -s
pushd $HOME
[ -d gromacs-gmxapi ] || \
git clone \
--depth=1 \
--no-single-branch \
https://github.com/gromacs/gromacs.git \
${GMX_SRC_DIR}
pushd ${GMX_SRC_DIR}
git branch -a
git checkout release-2019
pwd
rm -rf build
mkdir build
pushd build
cmake -DCMAKE_CXX_COMPILER=$CXX \
-DGMX_ENABLE_CCACHE=ON \
-DCMAKE_C_COMPILER=$CC \
-DGMX_DOUBLE=$GMX_DOUBLE \
-DGMX_MPI=$GMX_MPI \
-DGMX_THREAD_MPI=$GMX_THREAD_MPI \
-DGMXAPI=ON \
-DCMAKE_INSTALL_PREFIX=$HOME/install/gromacs_2019 \
..
make -j2 install
popd
popd
popd
ccache -s
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