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Spack 1.1.0 -> 1.1.1

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This commit is contained in:
Matthias Krack 2026-02-12 11:24:17 +01:00
parent c5ae7f89c8
commit c6529ff58f
1 changed files with 16 additions and 17 deletions
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33
make_cp2k.sh
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@ -496,12 +496,12 @@ export CMAKE_CUDA_FLAGS
### Build CP2K dependencies with Spack if needed or requested ###
# Spack versions
export SPACK_VERSION="${SPACK_VERSION:-1.1.0}"
export SPACK_PACKAGES_VERSION="${SPACK_PACKAGES_VERSION:-2025.11.0}"
# Spack version
export SPACK_VERSION="${SPACK_VERSION:-1.1.1}"
export SPACK_PACKAGES_VERSION="${SPACK_PACKAGES_VERSION:-40c689a44fb723ccb158b49ce0f4ad6621b8b00c}" SPACK_PACKAGES_DATE="11.02.2026"
export SPACK_BUILD_PATH="${CP2K_ROOT}/spack"
export SPACK_ROOT="${SPACK_BUILD_PATH}/spack-${SPACK_VERSION}"
export SPACK_ROOT="${SPACK_BUILD_PATH}/spack"
export SPACK_PACKAGES_ROOT="${SPACK_BUILD_PATH}/spack-packages-${SPACK_PACKAGES_VERSION}"
# Define the CP2K spack configuration file
export CP2K_CONFIG_FILE="${SPACK_BUILD_PATH}/cp2k_deps_${CP2K_VERSION}.yaml"
@ -536,12 +536,11 @@ if [[ ! -d "${SPACK_BUILD_PATH}" ]]; then
unset SPACK_ENV
# Install Spack
((VERBOSE > 0)) && echo "Installing Spack ${SPACK_VERSION}"
export SPACK_REPO="https://github.com/spack/spack"
if [[ ! -d "${SPACK_ROOT}" ]]; then
wget -q "${SPACK_REPO}/archive/v${SPACK_VERSION}.tar.gz"
tar -xzf "v${SPACK_VERSION}.tar.gz"
rm -f "v${SPACK_VERSION}.tar.gz"
echo "Installing Spack ${SPACK_VERSION}"
wget -q "https://github.com/spack/spack/archive/v${SPACK_VERSION}.tar.gz"
tar -xzf "v${SPACK_VERSION}.tar.gz" && rm -f "v${SPACK_VERSION}.tar.gz"
mv -f "${SPACK_BUILD_PATH}/spack-${SPACK_VERSION}" "${SPACK_ROOT}"
fi
export PATH="${SPACK_ROOT}/bin:${PATH}"
@ -576,12 +575,11 @@ if [[ ! -d "${SPACK_BUILD_PATH}" ]]; then
fi
# Install Spack packages
((VERBOSE > 0)) && echo "Installing Spack packages ${SPACK_PACKAGES_VERSION}"
export SPACK_PACKAGES_REPO="https://github.com/spack/spack-packages"
export SPACK_PACKAGES_ROOT="${SPACK_BUILD_PATH}/spack-packages-${SPACK_PACKAGES_VERSION}"
wget -q "${SPACK_PACKAGES_REPO}/archive/v${SPACK_PACKAGES_VERSION}.tar.gz"
tar -xzf "v${SPACK_PACKAGES_VERSION}.tar.gz"
rm -f "v${SPACK_PACKAGES_VERSION}.tar.gz"
if [[ ! -d "${SPACK_PACKAGES_ROOT}" ]]; then
echo "Installing Spack packages ${SPACK_PACKAGES_VERSION} (${SPACK_PACKAGES_DATE})"
wget -q "https://github.com/spack/spack-packages/archive/${SPACK_PACKAGES_VERSION}.tar.gz"
tar -xzf "${SPACK_PACKAGES_VERSION}.tar.gz" && rm -f "${SPACK_PACKAGES_VERSION}.tar.gz"
fi
# Initialize Spack shell hooks
# shellcheck source=/dev/null
@ -700,6 +698,7 @@ if [[ ! -d "${SPACK_BUILD_PATH}" ]]; then
echo "The Spack environment \"${CP2K_ENV}\" exists already"
fi
else
cat "${CP2K_CONFIG_FILE}"
echo "The Spack environment \"${CP2K_ENV}\" does NOT exist"
if spack env create "${CP2K_ENV}" "${CP2K_CONFIG_FILE}" &> /dev/null; then
echo "The Spack environment \"${CP2K_ENV}\" has been created"
@ -987,7 +986,7 @@ export LD_LIBRARY_PATH="${INSTALL_PREFIX}/lib:${LD_LIBRARY_PATH}"
echo -e "\nLD_LIBRARY_PATH = \"${LD_LIBRARY_PATH}\""
if ldd -- "${INSTALL_PREFIX}/bin/cp2k.${VERSION}" 2>&1 | grep -qE '\s=>\snot found'; then
echo -e "\n*** Some libraries referenced by the CP2K binary are NOT found:"
ldd -- "${INSTALL_PREFIX}/bin/cp2k.${VERSION}" 2>&1 | grep -E '\s=>\snot found'
ldd -- "${INSTALL_PREFIX}/bin/cp2k.${VERSION}" 2>&1 | grep -E '\s=>\snot found' | sort | uniq
echo -e "\n*** Trying to update the LD_LIBRARY_PATH\n"
# Assemble all search paths for libraries
SEARCH_PATHS="${SPACK_ROOT}/opt/spack/view ${INSTALL_PREFIX}/lib"