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Check for mandatory packages (Spack/CMake)

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Matthias Krack 2026-01-09 17:30:11 +01:00
parent abf89380ae
commit 4cfb50dc9e
1 changed files with 17 additions and 2 deletions
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19
make_cp2k.sh
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@ -173,6 +173,15 @@ fi
export SPACK_VERSION="${SPACK_VERSION:-1.1.0}"
export SPACK_PACKAGES_VERSION="${SPACK_PACKAGES_VERSION:-2025.11.0}"
# Check if all mandatory packages for the Spack/CMake build are installed in the environment
for package in bzip2 g++ gcc gfortran git gzip patch python3 update-ca-certificates wget; do
if ! command -v "${package}" &> /dev/null; then
echo "ERROR: The package \"${package}\" is mandatory to build CP2K with Spack/CMake"
echo " Install the missing package and re-run the script"
${EXIT_CMD} 1
fi
done
# Check if python is available
if ! command -v python3 &> /dev/null; then
echo "ERROR: python3 NOT found"
@ -217,8 +226,9 @@ if [[ ! -d "${SPACK_BUILD_PATH}" ]]; then
export PATH="${SPACK_BUILD_PATH}/venv/bin:${PATH}"
pip3 install --quiet --upgrade pip
pip3 install --quiet boto3==1.38.11 google-cloud-storage==3.1.0
# Start Spack cache
"${CP2K_ROOT}"/tools/docker/spack_cache_start.sh || true
# (Re)start Spack cache
"${CP2K_ROOT}"/tools/docker/spack_cache_start.sh
podman container list
else
HAS_PODMAN="no"
echo "INFO: podman was not found"
@ -306,6 +316,11 @@ if [[ ! -d "${SPACK_BUILD_PATH}" ]]; then
if ! spack mirror list | grep -q "local-cache"; then
"${CP2K_ROOT}"/tools/docker/scripts/setup_spack_cache.sh
fi
if ((VERBOSE > 0)); then
"${CP2K_ROOT}"/tools/docker/spack_cache_list.sh
fi
else
echo "INFO: A local Spack cache is NOT used"
fi
# Install CP2K dependencies via Spack