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Use libxc 4.3.4 for toolchain

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mkrack committed Mar 14, 2019
1 parent 14ae7bc commit 9b1b82480841b22eafd6ad0f50c5ebfe72f06173
Showing with 3 additions and 11 deletions.
  1. +1 −0 tools/toolchain/scripts/checksums.sha256
  2. +2 −11 tools/toolchain/scripts/install_libxc.sh
@@ -31,6 +31,7 @@ c332f08648ec2bc7ccce83e45a84776215aa5dfebc64fae2a23f2ac546d41ea4 *libxc-2.0.1.ta
f63f0d67eca45ca0cde4c53bc4b340146f5323dcdbf1f679f13b86623be383d0 *libxc-4.0.4.tar.gz
02e49e9ba7d21d18df17e9e57eae861e6ce05e65e966e1e832475aa09e344256 *libxc-4.2.3.tar.gz
bc9bfe4aabb228a74d0d1e50c9a6e804f1121540af4fd63f683afa55e99cc9d4 *libxc-4.3.0.tar.gz
a8ee37ddc5079339854bd313272856c9d41a27802472ee9ae44b58ee9a298337 *libxc-4.3.4.tar.gz
37c3ba2d3cd3f4ea239497d9d34bd57a663a34e2ea25099c2cbef118c9156587 *mpich-3.1.2.tar.gz
0778679a6b693d7b7caff37ff9d2856dc2bfc51318bf8373859bfa74253da3dc *mpich-3.2.tar.gz
5db53bf2edfaa2238eb6a0a5bc3d2c2ccbfbb1badd79b664a1a919d2ce2330f1 *mpich-3.2.1.tar.gz
@@ -2,7 +2,7 @@
[ "${BASH_SOURCE[0]}" ] && SCRIPT_NAME="${BASH_SOURCE[0]}" || SCRIPT_NAME=$0
SCRIPT_DIR="$(cd "$(dirname "$SCRIPT_NAME")" && pwd -P)"

libxc_ver=${libxc_ver:-4.3.0}
libxc_ver=${libxc_ver:-4.3.4}
source "${SCRIPT_DIR}"/common_vars.sh
source "${SCRIPT_DIR}"/tool_kit.sh
source "${SCRIPT_DIR}"/signal_trap.sh
@@ -28,21 +28,12 @@ case "$with_libxc" in
echo "libxc-${libxc_ver}.tar.gz is found"
else
download_pkg ${DOWNLOADER_FLAGS} \
https://tddft.org/programs/octopus/download/libxc/${libxc_ver}/libxc-${libxc_ver}.tar.gz
https://www.cp2k.org/static/downloads/libxc-${libxc_ver}.tar.gz
fi
echo "Installing from scratch into ${pkg_install_dir}"
[ -d libxc-${libxc_ver} ] && rm -rf libxc-${libxc_ver}
tar -xzf libxc-${libxc_ver}.tar.gz
cd libxc-${libxc_ver}
# patch buggy configure macro (fails with gcc trunk)
sed -i 's/ax_cv_f90_modext=$(ls | sed/ax_cv_f90_modext=)ls -1 | grep -iv smod | sed/g' \
configure
# patch for libxc 3.0.0 + gcc 6.4.0 (undefined behavior in lda_x.c)
CFLAGS=`echo ${CFLAGS} |sed 's|-fno-omit-frame-pointer ||g'`

# patch for libxc 4.3.0 (undefined symbols due to function removal)
patch -p1 < "${SCRIPT_DIR}/files/libxc-4.3.0-fix-fortran-iface.patch"

./configure --prefix="${pkg_install_dir}" --libdir="${pkg_install_dir}/lib" > configure.log 2>&1
make -j $NPROCS > make.log 2>&1
make install > install.log 2>&1

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