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3 commits
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0cbbc3ee3c | ||
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a95ec40337 | ||
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71f6a37b34 |
9 changed files with 11 additions and 17 deletions
1
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1
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@ -0,0 +1 @@
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git:a95ec40
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@ -38,7 +38,7 @@ MODULE cp2k_info
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#endif
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! The cp2k_version string should be changed for release branches.
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CHARACTER(LEN=*), PARAMETER :: cp2k_version = "CP2K development version"
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CHARACTER(LEN=*), PARAMETER :: cp2k_version = "CP2K version 2022.2"
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CHARACTER(LEN=*), PARAMETER :: cp2k_year = "2022"
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CHARACTER(LEN=*), PARAMETER :: cp2k_home = "https://www.cp2k.org/"
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@ -22,10 +22,10 @@ case "${with_cmake}" in
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echo "==================== Installing CMake ===================="
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cmake_ver="3.22.1"
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if [ "${OPENBLAS_ARCH}" = "arm64" ]; then
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cmake_arch="Linux-aarch64"
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cmake_arch="linux-aarch64"
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cmake_sha256="ff886c6c16be867229a6c1fe4bc963ff77ae24187d5a8d64ef72a06f84c1a25c"
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elif [ "${OPENBLAS_ARCH}" = "x86_64" ]; then
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cmake_arch="Linux-x86_64"
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cmake_arch="linux-x86_64"
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cmake_sha256="808a712bcb039fd71f6960dca82a9befb977d8bdb074718218cf7646fd08bb7a"
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else
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report_error ${LINENO} \
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@ -41,7 +41,7 @@ case "${with_cmake}" in
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echo "cmake-${cmake_ver}-${cmake_arch}.sh is found"
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else
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download_pkg ${DOWNLOADER_FLAGS} ${cmake_sha256} \
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https://github.com/Kitware/CMake/releases/download/v${cmake_ver}/cmake-${cmake_ver}-${cmake_arch}.sh
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"https://www.cp2k.org/static/downloads/cmake-${cmake_ver}-${cmake_arch}.sh"
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fi
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echo "Installing from scratch into ${pkg_install_dir}"
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mkdir -p ${pkg_install_dir}
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@ -35,8 +35,7 @@ case "$with_cosma" in
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echo "COSMA-v${cosma_ver}.tar.gz is found"
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else
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download_pkg ${DOWNLOADER_FLAGS} ${cosma_sha256} \
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"https://github.com/eth-cscs/COSMA/releases/download/v${cosma_ver}/COSMA-v${cosma_ver}.tar.gz" \
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-o COSMA-v${cosma_ver}.tar.gz
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"https://www.cp2k.org/static/downloads/COSMA-v${cosma_ver}.tar.gz"
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fi
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echo "Installing from scratch into ${pkg_install_dir}"
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[ -d COSMA-${cosma_ver} ] && rm -rf COSMA-${cosma_ver}
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@ -36,7 +36,7 @@ case "$with_plumed" in
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echo "${plumed_pkg} is found"
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else
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download_pkg ${DOWNLOADER_FLAGS} ${plumed_sha256} \
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"https://github.com/plumed/plumed2/releases/download/v${plumed_ver}/${plumed_pkg}"
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"https://www.cp2k.org/static/downloads/${plumed_pkg}"
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fi
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[ -d plumed-${plumed_ver} ] && rm -rf plumed-${plumed_ver}
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@ -31,8 +31,7 @@ case "$with_spglib" in
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echo "spglib-${spglib_ver}.tar.gz is found"
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else
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download_pkg ${DOWNLOADER_FLAGS} ${spglib_sha256} \
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https://github.com/atztogo/spglib/archive/v${spglib_ver}.tar.gz \
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-o spglib-${spglib_ver}.tar.gz
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"https://www.cp2k.org/static/downloads/spglib-${spglib_ver}.tar.gz"
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fi
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echo "Installing from scratch into ${pkg_install_dir}"
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@ -95,8 +95,7 @@ case "$with_sirius" in
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echo "sirius_${sirius_ver}.tar.gz is found"
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else
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download_pkg ${DOWNLOADER_FLAGS} ${sirius_sha256} \
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"https://github.com/electronic-structure/SIRIUS/archive/v${sirius_ver}.tar.gz" \
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-o SIRIUS-${sirius_ver}.tar.gz
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"https://www.cp2k.org/static/downloads/SIRIUS-${sirius_ver}.tar.gz"
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fi
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echo "Installing from scratch into ${pkg_install_dir}"
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@ -31,9 +31,7 @@ case "${with_spfft}" in
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echo "SpFFT-${spfft_ver}.tar.gz is found"
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else
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download_pkg ${DOWNLOADER_FLAGS} ${spfft_sha256} \
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"https://github.com/eth-cscs/SpFFT/archive/v${spfft_ver}.tar.gz" \
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-o SpFFT-${spfft_ver}.tar.gz
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"https://www.cp2k.org/static/downloads/SpFFT-${spfft_ver}.tar.gz"
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fi
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if [ "${MATH_MODE}" = "mkl" ]; then
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EXTRA_CMAKE_FLAGS="-DSPFFT_MKL=ON -DSPFFT_FFTW_LIB=MKL"
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@ -31,9 +31,7 @@ case "${with_spla}" in
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echo "SpLA-${spla_ver}.tar.gz is found"
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else
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download_pkg ${DOWNLOADER_FLAGS} ${spla_sha256} \
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"https://github.com/eth-cscs/Spla/archive/v${spla_ver}.tar.gz" \
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-o SpLA-${spla_ver}.tar.gz
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"https://www.cp2k.org/static/downloads/SpLA-${spla_ver}.tar.gz"
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fi
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echo "Installing from scratch into ${pkg_install_dir}"
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[ -d SpLA-${spla_ver} ] && rm -rf SpLA-${spla_ver}
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