mirror of
https://github.com/cp2k/cp2k.git
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Drop support for GCC 8 (#5290)
This commit is contained in:
Ole Schütt
GitHub
parent
cd7394cb51
commit
a7cc81a68e
4 changed files with 18 additions and 161 deletions
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@ -158,13 +158,6 @@ name: Ubuntu, GCC 9 (ssmp)
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host: GCP
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report_url: https://storage.googleapis.com/cp2k-ci/dashboard_gcc9_report.txt
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[gcc8]
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sortkey: 499
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name: Ubuntu, GCC 8 (ssmp)
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host: GCP
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report_url: https://storage.googleapis.com/cp2k-ci/dashboard_gcc8_report.txt
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# ==============================================================================
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[minimal]
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@ -398,50 +391,52 @@ timeout: 170
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host: GCP
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report_url: https://storage.googleapis.com/cp2k-ci/dashboard_spack-psmp-opensuse_report.txt
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# ==============================================================================
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[spack-psmp-gcc10]
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sortkey: 1045
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sortkey: 2010
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name: Spack (psmp, GCC 10)
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timeout: 170
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host: GCP
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report_url: https://storage.googleapis.com/cp2k-ci/dashboard_spack-psmp-gcc10_report.txt
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[spack-psmp-gcc11]
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sortkey: 1046
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sortkey: 2011
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name: Spack (psmp, GCC 11)
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timeout: 170
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host: GCP
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report_url: https://storage.googleapis.com/cp2k-ci/dashboard_spack-psmp-gcc11_report.txt
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[spack-psmp-gcc12]
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sortkey: 1047
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sortkey: 2012
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name: Spack (psmp, GCC 12)
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timeout: 170
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host: GCP
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report_url: https://storage.googleapis.com/cp2k-ci/dashboard_spack-psmp-gcc12_report.txt
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[spack-psmp-gcc13]
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sortkey: 1048
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sortkey: 2013
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name: Spack (psmp, GCC 13)
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timeout: 170
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host: GCP
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report_url: https://storage.googleapis.com/cp2k-ci/dashboard_spack-psmp-gcc13_report.txt
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[spack-psmp-gcc14]
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sortkey: 1049
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sortkey: 2014
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name: Spack (psmp, GCC 14)
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timeout: 170
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host: GCP
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report_url: https://storage.googleapis.com/cp2k-ci/dashboard_spack-psmp-gcc14_report.txt
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[spack-psmp-gcc15]
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sortkey: 1050
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sortkey: 2015
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name: Spack (psmp, GCC 15)
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timeout: 170
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host: GCP
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report_url: https://storage.googleapis.com/cp2k-ci/dashboard_spack-psmp-gcc15_report.txt
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[spack-psmp-gcc16]
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sortkey: 1052
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sortkey: 2016
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name: Spack (psmp, GCC 16)
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timeout: 170
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host: GCP
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@ -450,7 +445,7 @@ report_url: https://storage.googleapis.com/cp2k-ci/dashboard_spack-psmp-gcc16_r
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# ==============================================================================
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[asan-psmp]
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sortkey: 1051
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sortkey: 3000
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name: Address Sanitizer
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timeout: 170
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host: GCP
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@ -1,124 +0,0 @@
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#
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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_gcc8 ../../
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#
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FROM ubuntu:20.04
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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-8 \
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g++-8 \
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gfortran-8 \
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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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\
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\
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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-8 /usr/local/bin/gcc && \
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ln -sf /usr/bin/g++-8 /usr/local/bin/g++ && \
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ln -sf /usr/bin/gfortran-8 /usr/local/bin/gfortran
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# Use toolchain to install DBCSR and CMake.
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# Install requirements for the toolchain.
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WORKDIR /opt/cp2k-toolchain
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COPY ./tools/toolchain/install_requirements*.sh ./
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RUN ./install_requirements.sh ubuntu:20.04
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# Install the toolchain.
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RUN mkdir scripts
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COPY ./tools/toolchain/scripts/VERSION \
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./tools/toolchain/scripts/parse_if.py \
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./tools/toolchain/scripts/tool_kit.sh \
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./tools/toolchain/scripts/common_vars.sh \
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./tools/toolchain/scripts/signal_trap.sh \
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./tools/toolchain/scripts/get_openblas_arch.sh \
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./scripts/
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COPY ./tools/toolchain/install_cp2k_toolchain.sh .
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RUN ./install_cp2k_toolchain.sh \
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--mpi-mode=no \
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--with-dbcsr \
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--with-gcc=system \
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--with-cmake \
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--with-ninja=system \
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--with-openblas=system \
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--with-libxc=no \
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--with-libint=no \
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--with-fftw=no \
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--with-libxsmm=no \
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--with-spglib=no \
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--with-libvori=no \
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--dry-run
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# Dry-run leaves behind config files for the followup install scripts.
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# This breaks up the lengthy installation into smaller build steps.
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COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
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RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build
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COPY ./tools/toolchain/scripts/stage1/ ./scripts/stage1/
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RUN ./scripts/stage1/install_stage1.sh && rm -rf ./build
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COPY ./tools/toolchain/scripts/stage2/ ./scripts/stage2/
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RUN ./scripts/stage2/install_stage2.sh && rm -rf ./build
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COPY ./tools/toolchain/scripts/stage3/ ./scripts/stage3/
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RUN ./scripts/stage3/install_stage3.sh && rm -rf ./build
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COPY ./tools/toolchain/scripts/stage4/ ./scripts/stage4/
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RUN ./scripts/stage4/install_stage4.sh && rm -rf ./build
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COPY ./tools/toolchain/scripts/stage5/ ./scripts/stage5/
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RUN ./scripts/stage5/install_stage5.sh && rm -rf ./build
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COPY ./tools/toolchain/scripts/stage6/ ./scripts/stage6/
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RUN ./scripts/stage6/install_stage6.sh && rm -rf ./build
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COPY ./tools/toolchain/scripts/stage7/ ./scripts/stage7/
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RUN ./scripts/stage7/install_stage7.sh && rm -rf ./build
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COPY ./tools/toolchain/scripts/stage8/ ./scripts/stage8/
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RUN ./scripts/stage8/install_stage8.sh && rm -rf ./build
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COPY ./tools/toolchain/scripts/stage9/ ./scripts/stage9/
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RUN ./scripts/stage9/install_stage9.sh && rm -rf ./build
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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 ./tools/build_utils ./tools/build_utils
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COPY ./cmake ./cmake
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COPY ./CMakeLists.txt .
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# Compile CP2K.
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COPY ./tools/docker/scripts/build_cp2k.sh .
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RUN ./build_cp2k.sh ubuntu ssmp
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# Run regression tests.
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ARG TESTOPTS="--skipdir=QS/regtest-rs-dhft"
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COPY ./tests ./tests
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COPY ./tools/docker/scripts/test_regtest.sh ./
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RUN /bin/bash -o pipefail -c " \
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TESTOPTS='${TESTOPTS}' \
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./test_regtest.sh ubuntu 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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@ -213,14 +213,6 @@ dockerfile: /tools/docker/Dockerfile.test_coverage
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#-------------------------------------------------------------------------------
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[gcc8]
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display_name: Ubuntu, GCC 8 (ssmp)
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tags: daily
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cpu: 32
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nodepools: pool-main
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build_path: /
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dockerfile: /tools/docker/Dockerfile.test_gcc8
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[gcc9]
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display_name: Ubuntu, GCC 9 (ssmp)
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tags: daily
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@ -245,12 +245,10 @@ def main() -> None:
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f.write(install_deps_toolchain())
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f.write(coverage())
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for gcc_version in 8, 9, 10, 11, 12, 13, 14, 15, 16:
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for gcc_version in 9, 10, 11, 12, 13, 14, 15, 16:
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with OutputFile(f"Dockerfile.test_gcc{gcc_version}", args.check) as f:
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# Skip some tests due to bug in LDA_C_PMGB06 functional in libxc <5.2.0.
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testopts = "--skipdir=QS/regtest-rs-dhft" if gcc_version == 8 else ""
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f.write(install_deps_ubuntu(gcc_version=gcc_version))
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f.write(regtest("ubuntu", "ssmp", testopts=testopts))
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f.write(regtest("ubuntu", "ssmp"))
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with OutputFile("Dockerfile.test_arm64-psmp", args.check) as f:
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base_img = "arm64v8/ubuntu:26.04"
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@ -489,12 +487,8 @@ def install_deps_toolchain(
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# ======================================================================================
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def install_deps_ubuntu(gcc_version: int = 15) -> str:
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if gcc_version > 14:
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base_image = "ubuntu:26.04"
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elif gcc_version > 8:
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base_image = "ubuntu:24.04"
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else:
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base_image = "ubuntu:20.04"
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assert gcc_version > 8
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base_image = "ubuntu:26.04" if gcc_version > 14 else "ubuntu:24.04"
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output = f"\nFROM {base_image}\n"
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if gcc_version > 13:
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@ -524,8 +518,8 @@ RUN export DEBIAN_FRONTEND=noninteractive DEBCONF_NONINTERACTIVE_SEEN=true && \
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libint2-dev \
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libxc-dev \
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libhdf5-dev \
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{"libxsmm-dev" if gcc_version > 8 else ""} \
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{"libspglib-f08-dev" if gcc_version > 8 else ""} \
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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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@ -533,13 +527,13 @@ RUN ln -sf /usr/bin/gcc-{gcc_version} /usr/local/bin/gcc && \
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ln -sf /usr/bin/g++-{gcc_version} /usr/local/bin/g++ && \
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ln -sf /usr/bin/gfortran-{gcc_version} /usr/local/bin/gfortran
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# Use toolchain to install DBCSR{"" if gcc_version > 8 else " and CMake"}.
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# Use toolchain to install DBCSR.
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""" + install_toolchain(
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base_image=base_image,
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mpi_mode="no",
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with_dbcsr="",
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with_gcc="system",
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with_cmake="system" if gcc_version > 8 else "",
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with_cmake="system",
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with_ninja="system",
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with_openblas="system",
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with_libxc="no",
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