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Docker: Switch Gromacs to use pkgconfig
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oschuett committed Oct 25, 2021
1 parent a968e96 commit 7522f25
Showing 1 changed file with 1 addition and 6 deletions.
7 changes: 1 addition & 6 deletions tools/docker/scripts/test_gromacs.sh
Original file line number Diff line number Diff line change
Expand Up @@ -24,19 +24,14 @@ GROMACS_REVISION=$(git rev-parse --short HEAD)
mkdir build
cd build

export PKG_CONFIG_PATH="${PKG_CONFIG_PATH}:/workspace/cp2k/lib/local/pdbg/pkgconfig"
CP2K_LIBDIR=$(pkg-config libcp2k --variable=libdir)
CP2K_LINKER_FLAGS=$(pkg-config libcp2k --libs)

echo -n "Configuring Gromacs... "
if cmake .. \
-DGMX_BUILD_OWN_FFTW=ON \
-DBUILD_SHARED_LIBS=OFF \
-DGMX_INSTALL_NBLIB_API=OFF \
-DGMXAPI=OFF \
-DGMX_CP2K=ON \
-DCP2K_DIR="${CP2K_LIBDIR}" \
-DCP2K_LINKER_FLAGS="${CP2K_LINKER_FLAGS}" \
-DCP2K_DIR="/workspace/cp2k/lib/local/pdbg/" \
&> cmake.out; then
echo "done."
else
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