This commit is contained in:
Rocco Meli 2025-08-22 17:25:22 +02:00 committed by Matthias Krack
parent bd486b8e57
commit dd06dd4b38

View file

@ -89,8 +89,7 @@ RUN spack external find --all --not-buildable
ARG CP2K_VERSION
ENV CP2K_VERSION=${CP2K_VERSION:-psmp}
COPY ./tools/spack/cp2k_deps_${CP2K_VERSION}.yaml ./
RUN sed -e "s/~xpmem/+xpmem/" cp2k_deps_${CP2K_VERSION}.yaml > cp2k_deps_${CP2K_VERSION}_tmp.yaml && \
mv cp2k_deps_${CP2K_VERSION}_tmp.yaml cp2k_deps_${CP2K_VERSION}.yaml
RUN sed -i -e "s/~xpmem/+xpmem/" cp2k_deps_${CP2K_VERSION}.yaml
COPY ./tools/spack/cp2k_dev_repo ${SPACK_PACKAGES_ROOT}/repos/spack_repo/cp2k_dev_repo/
RUN spack repo add --scope site ${SPACK_PACKAGES_ROOT}/repos/spack_repo/cp2k_dev_repo/
RUN spack env create myenv cp2k_deps_${CP2K_VERSION}.yaml && \