cp2k/tools/docker/scripts/install_dbcsr.sh
2024-05-05 22:28:25 +02:00

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#!/bin/bash -e
DBCSR_ver="2.6.0"
DBCSR_sha256="c67b02ff9abc7c1f529af446a9f01f3ef9e5b0574f220259128da8d5ca7e9dc6"
echo "==================== Installing DBCSR ===================="
wget -q "https://github.com/cp2k/dbcsr/releases/download/v${DBCSR_ver}/dbcsr-${DBCSR_ver}.tar.gz"
echo "${DBCSR_sha256} dbcsr-${DBCSR_ver}.tar.gz" | sha256sum --check > /dev/null
tar xzf dbcsr-${DBCSR_ver}.tar.gz
cd dbcsr-${DBCSR_ver}
mkdir build
cd build
if ! cmake -DCMAKE_INSTALL_PREFIX=/opt/dbcsr -DUSE_MPI=OFF -DUSE_OPENMP=ON -DUSE_SMM=blas .. &> cmake.log; then
cat cmake.log
exit 1
fi
if ! make -j &> make.log; then
cat make.log
exit 1
fi
if ! make install VERBOSE=1 &> install.log; then
cat install.log
exit 1
fi
cd ..
rm -rf build "dbcsr-${DBCSR_ver}" "dbcsr-${DBCSR_ver}.tar.gz"
#EOF