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Toolchain: Download dftd4 from cp2k.org (#5137)

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SY Wang 2026-05-06 18:56:13 +08:00 • committed by GitHub
parent 62f9a736be
commit eb5a73070c
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1 changed files with 4 additions and 24 deletions
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28
tools/toolchain/scripts/stage8/install_dftd4.sh
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@ -34,21 +34,7 @@ case "$with_dftd4" in
if verify_checksums "${install_lock_file}"; then
echo "dftd4-${dftd4_ver} is already installed, skipping it."
else
if ! [ -f "dftd4-${dftd4_ver}.tar.xz" ]; then
if ! download_pkg_from_cp2k_org "${dftd4_sha256}" "dftd4-${dftd4_ver}.tar.xz"; then
download_pkg_from_urlpath "${dftd4_sha256}" "dftd4-${dftd4_ver}.tar.xz" \
"https://github.com/dftd4/dftd4/releases/download/v${dftd4_ver}"
fi
elif ! checksum "${dftd4_sha256}" "dftd4-${dftd4_ver}.tar.xz"; then
echo "dftd4-${dftd4_ver}.tar.xz is found but checksum is wrong; delete and re-download"
rm -vf "dftd4-${dftd4_ver}.tar.xz"
if ! download_pkg_from_cp2k_org "${dftd4_sha256}" "dftd4-${dftd4_ver}.tar.xz"; then
download_pkg_from_urlpath "${dftd4_sha256}" "dftd4-${dftd4_ver}.tar.xz" \
"https://github.com/dftd4/dftd4/releases/download/v${dftd4_ver}"
fi
else
echo "dftd4-${dftd4_ver}.tar.xz is found and checksum is right"
fi
retrieve_package "${dftd4_sha256}" dftd4-${dftd4_ver}.tar.gz
echo "Installing from scratch into ${pkg_install_dir}"
[ -d dftd4-${dftd4_ver} ] && rm -rf dftd4-${dftd4_ver}
tar -xJf dftd4-${dftd4_ver}.tar.xz
@ -61,19 +47,13 @@ case "$with_dftd4" in
-DCMAKE_INSTALL_PREFIX="${pkg_install_dir}" \
-DCMAKE_INSTALL_LIBDIR=lib \
-DCMAKE_VERBOSE_MAKEFILE=ON \
-Ddftd4-dependency-method=subproject \
-DMCTC-LIB_FIND_METHOD=subproject \
-DMULTICHARGE_FIND_METHOD=subproject \
.. \
> cmake.log 2>&1 || tail_excerpt cmake.log
cmake --build . --target mctc-convert mstore-fortranize mstore-info multicharge-exe dftd4-exe \
-- -j $(get_nprocs) > make.log 2>&1 || tail_excerpt make.log
cmake --install . >> make.log 2>&1 || tail_excerpt make.log
make install -j $(get_nprocs) > make.log 2>&1 || tail_excerpt make.log
cd ..
write_checksums "${install_lock_file}" "${SCRIPT_DIR}/stage8/$(basename ${SCRIPT_NAME})" \
"${SCRIPT_DIR}/stage8/dftd4-${dftd4_ver}-gradient-fixes.patch"
fi
write_checksums "${install_lock_file}" "${SCRIPT_DIR}/stage8/$(basename ${SCRIPT_NAME})" \
"${SCRIPT_DIR}/stage8/dftd4-${dftd4_ver}-gradient-fixes.patch"
;;
__SYSTEM__)