mirror of
https://github.com/cp2k/cp2k.git
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60 lines
1.6 KiB
Text
60 lines
1.6 KiB
Text
#
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# This file was created by generate_dockerfiles.py.
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# Usage: docker build -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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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
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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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