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Sync Spack docker files

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This commit is contained in:
Matthias Krack 2025-04-03 21:09:31 +02:00
parent 6733392688
commit 9d84a8402c
2 changed files with 28 additions and 8 deletions
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18
tools/docker/Dockerfile.test_spack
View file

@ -37,9 +37,9 @@ RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
# Install a recent Spack version
WORKDIR /root/spack
ARG SPACK_VERSION
ENV SPACK_VERSION=${SPACK_VERSION:-test_cp2k}
ENV SPACK_VERSION=${SPACK_VERSION:-develop}
RUN git init --quiet && \
git remote add origin https://github.com/mkrack/spack.git && \
git remote add origin https://github.com/spack/spack.git && \
git fetch --quiet --depth 1 origin ${SPACK_VERSION} --no-tags && \
git checkout --quiet FETCH_HEAD
ENV PATH="/root/spack/bin:${PATH}"
@ -57,11 +57,21 @@ RUN spack mirror add ${SPACK_BUILD_CACHE} https://binaries.spack.io/${SPACK_BUIL
spack buildcache keys --install --trust --force && \
spack mirror remove ${SPACK_BUILD_CACHE}
# Install CP2K dependencies via Spack
# Copy Spack configuration and build recipes
ARG CP2K_BUILD_TYPE
ENV CP2K_BUILD_TYPE=${CP2K_BUILD_TYPE:-all}
COPY ./tools/spack/cp2k_deps_${CP2K_BUILD_TYPE}.yaml .
RUN spack env create myenv cp2k_deps_${CP2K_BUILD_TYPE}.yaml
COPY ./tools/spack/cp2k ./cp2k
# Sarus containers must be dynamically linked to an MPI implementation that is ABI-compatible
# with the MPI on the compute nodes at CSCS like MPICH@3
ARG MPICH_VERSION
ENV MPICH_VERSION=${MPICH_VERSION:-3.4.3}
RUN sed -i -e "s/mpich@[0-9.]*/mpich@${MPICH_VERSION}/" cp2k_deps_${CP2K_BUILD_TYPE}.yaml && \
spack env create myenv cp2k_deps_${CP2K_BUILD_TYPE}.yaml && \
spack -e myenv repo list
# Install CP2K dependencies via Spack
RUN spack -e myenv concretize -f
ENV SPACK_ENV_VIEW="/root/spack/var/spack/environments/myenv/spack-env/view"
RUN spack -e myenv env depfile -o spack_makefile && \

18
tools/docker/generate_dockerfiles.py
View file

@ -863,9 +863,9 @@ RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
# Install a recent Spack version
WORKDIR /root/spack
ARG SPACK_VERSION
ENV SPACK_VERSION=${{SPACK_VERSION:-test_cp2k}}
ENV SPACK_VERSION=${{SPACK_VERSION:-develop}}
RUN git init --quiet && \
git remote add origin https://github.com/mkrack/spack.git && \
git remote add origin https://github.com/spack/spack.git && \
git fetch --quiet --depth 1 origin ${{SPACK_VERSION}} --no-tags && \
git checkout --quiet FETCH_HEAD
ENV PATH="/root/spack/bin:${{PATH}}"
@ -883,11 +883,21 @@ RUN spack mirror add ${{SPACK_BUILD_CACHE}} https://binaries.spack.io/${{SPACK_B
spack buildcache keys --install --trust --force && \
spack mirror remove ${{SPACK_BUILD_CACHE}}
# Install CP2K dependencies via Spack
# Copy Spack configuration and build recipes
ARG CP2K_BUILD_TYPE
ENV CP2K_BUILD_TYPE=${{CP2K_BUILD_TYPE:-all}}
COPY ./tools/spack/cp2k_deps_${{CP2K_BUILD_TYPE}}.yaml .
RUN spack env create myenv cp2k_deps_${{CP2K_BUILD_TYPE}}.yaml
COPY ./tools/spack/cp2k ./cp2k
# Sarus containers must be dynamically linked to an MPI implementation that is ABI-compatible
# with the MPI on the compute nodes at CSCS like MPICH@3
ARG MPICH_VERSION
ENV MPICH_VERSION=${{MPICH_VERSION:-3.4.3}}
RUN sed -i -e "s/mpich@[0-9.]*/mpich@${{MPICH_VERSION}}/" cp2k_deps_${{CP2K_BUILD_TYPE}}.yaml && \
spack env create myenv cp2k_deps_${{CP2K_BUILD_TYPE}}.yaml && \
spack -e myenv repo list
# Install CP2K dependencies via Spack
RUN spack -e myenv concretize -f
ENV SPACK_ENV_VIEW="/root/spack/var/spack/environments/myenv/spack-env/view"
RUN spack -e myenv env depfile -o spack_makefile && \