Add spack psmp tester for openSUSE (leap 15.6)

This commit is contained in:
Matthias Krack 2026-02-09 12:00:31 +01:00
parent f02ad998b0
commit 55d334afdb
3 changed files with 99 additions and 0 deletions

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@ -323,6 +323,13 @@ timeout: 170
host: GCP
report_url: https://storage.googleapis.com/cp2k-ci/dashboard_spack-psmp-fedora_report.txt
[spack-psmp-opensuse]
sortkey: 1044
name: Spack (psmp, opensuse)
timeout: 170
host: GCP
report_url: https://storage.googleapis.com/cp2k-ci/dashboard_spack-psmp-opensuse_report.txt
[spack-psmp-gcc10]
sortkey: 1045
name: Spack (psmp, GCC 10)

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@ -0,0 +1,84 @@
#
# This file was created by generate_dockerfiles.py.
# Usage: ./spack_cache_start.sh; podman build --network=host --shm-size=1g -f ./Dockerfile.test_spack_psmp-opensuse ../../
#
ARG BASE_IMAGE="opensuse/leap:15.6"
###### Stage 1: Build CP2K ######
FROM "${BASE_IMAGE}" AS build_cp2k
RUN zypper --non-interactive ref && \
zypper --non-interactive in --no-recommends \
bzip2 \
cmake \
gcc gcc14 gcc-c++ gcc14-c++ gcc-fortran gcc14-fortran \
git \
gzip \
libssh-devel \
libopenssl-devel \
libtool \
lsb-release \
make \
patch \
pkgconf \
python311 \
python311-devel \
unzip \
wget \
xz \
zstd \
&& zypper --non-interactive clean --all
RUN ln -sf /usr/bin/python3.11 /usr/local/bin/python3 && \
ln -sf /usr/bin/python3.11 /usr/local/bin/python
ARG SPACK_CACHE="s3://spack-cache --s3-endpoint-url=http://localhost:9000"
# Copy CP2K repository into container
WORKDIR /opt
COPY . cp2k/
# Build CP2K dependencies
WORKDIR /opt/cp2k
RUN /bin/bash -o pipefail -c "source ./make_cp2k.sh -bd_only -cv psmp -gv 14 -mpi mpich -ue"
# Build and install CP2K
RUN /bin/bash -o pipefail -c "source ./make_cp2k.sh -cv psmp -gv 14 -mpi mpich"
###### Stage 2: Install CP2K ######
FROM "${BASE_IMAGE}" AS install_cp2k
RUN zypper --non-interactive ref && \
zypper --non-interactive in --no-recommends \
gcc gcc14 gcc-c++ gcc14-c++ gcc-fortran gcc14-fortran \
python311 \
&& zypper --non-interactive clean --all
RUN ln -sf /usr/bin/python3.11 /usr/local/bin/python3 && \
ln -sf /usr/bin/python3.11 /usr/local/bin/python
WORKDIR /opt/cp2k
# Install CP2K dependencies built with spack
COPY --from=build_cp2k /opt/cp2k/spack/spack-1.1.0/opt/spack ./spack/spack-1.1.0/opt/spack
# Install CP2K
COPY --from=build_cp2k /opt/cp2k/install ./install
# Install CP2K regression tests
COPY --from=build_cp2k /opt/cp2k/tests ./tests
COPY --from=build_cp2k /opt/cp2k/src/grid/sample_tasks ./src/grid/sample_tasks
# Install CP2K/Quickstep CI benchmarks
COPY --from=build_cp2k /opt/cp2k/benchmarks/CI ./benchmarks/CI
# Run CP2K regression test
RUN /bin/bash -o pipefail -c "/opt/cp2k/install/bin/entrypoint.sh /opt/cp2k/install/bin/run_tests "
# Create entrypoint and finalise container build
WORKDIR /mnt
ENTRYPOINT ["/opt/cp2k/install/bin/entrypoint.sh"]
CMD ["cp2k", "--help"]

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@ -382,6 +382,14 @@ nodepools: pool-main
build_path: /
dockerfile: /tools/docker/Dockerfile.test_spack_psmp-fedora
[spack-psmp-opensuse]
display_name: Spack (psmp, opensuse)
tags: weekly-afternoon
cpu: 32
nodepools: pool-main
build_path: /
dockerfile: /tools/docker/Dockerfile.test_spack_psmp-opensuse
[spack-psmp-gcc10]
display_name: Spack (psmp, GCC 10)
tags: weekly-afternoon