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https://github.com/cp2k/cp2k.git
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22d13e016e
Test the latest Intel oneAPI HPC Toolkit version with ssmp and psmp using the new ifx Fortran compiler. The existing Intel tests use still the old ifort compiler.
61 lines
1.6 KiB
Text
61 lines
1.6 KiB
Text
#
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# This file was created by generate_dockerfiles.py.
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# Usage: podman build --shm-size=1g -f ./Dockerfile.test_minimal ../../
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#
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FROM ubuntu:24.04
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# Install Ubuntu packages.
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RUN export DEBIAN_FRONTEND=noninteractive DEBCONF_NONINTERACTIVE_SEEN=true && \
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apt-get update -qq && apt-get install -qq --no-install-recommends \
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cmake \
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less \
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nano \
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make \
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ninja-build \
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wget \
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python3 \
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ca-certificates \
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gcc-13 \
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g++-13 \
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gfortran-13 \
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libfftw3-dev \
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libopenblas-dev \
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libint2-dev \
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libxc-dev \
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libhdf5-dev \
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libxsmm-dev \
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libspglib-f08-dev \
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&& rm -rf /var/lib/apt/lists/*
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# Create links in /usr/local/bin to overrule links in /usr/bin.
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RUN ln -sf /usr/bin/gcc-13 /usr/local/bin/gcc && \
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ln -sf /usr/bin/g++-13 /usr/local/bin/g++ && \
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ln -sf /usr/bin/gfortran-13 /usr/local/bin/gfortran
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# Install DBCSR
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COPY ./tools/docker/scripts/install_dbcsr.sh ./
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RUN ./install_dbcsr.sh minimal ssmp
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# Install CP2K sources.
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WORKDIR /opt/cp2k
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COPY ./src ./src
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COPY ./data ./data
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COPY ./tests ./tests
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COPY ./tools/build_utils ./tools/build_utils
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COPY ./cmake ./cmake
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COPY ./CMakeLists.txt .
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# Build CP2K with CMake and run regression tests.
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ARG TESTOPTS=""
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COPY ./tools/docker/scripts/build_cp2k_cmake.sh ./tools/docker/scripts/test_regtest_cmake.sh ./
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RUN /bin/bash -o pipefail -c " \
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TESTOPTS='${TESTOPTS}' \
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./test_regtest_cmake.sh minimal ssmp |& tee report.log && \
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rm -rf regtesting"
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# Output the report if the image is old and was therefore pulled from the build cache.
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CMD cat $(find ./report.log -mmin +10) | sed '/^Summary:/ s/$/ (cached)/'
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ENTRYPOINT []
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#EOF
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