# # This file was created by generate_dockerfiles.py. # Usage: podman build --shm-size=1g -f ./Dockerfile.test_performance ../../ # FROM ubuntu:26.04 # Install requirements for the toolchain. WORKDIR /opt/cp2k-toolchain COPY ./tools/toolchain/install_requirements*.sh ./ RUN ./install_requirements.sh ubuntu:26.04 # Install the toolchain. RUN mkdir scripts COPY ./tools/toolchain/scripts/VERSION \ ./tools/toolchain/scripts/tool_kit.sh \ ./tools/toolchain/scripts/common_vars.sh \ ./tools/toolchain/scripts/signal_trap.sh \ ./tools/toolchain/scripts/get_openblas_arch.sh \ ./scripts/ COPY ./tools/toolchain/install_cp2k_toolchain.sh . RUN ./install_cp2k_toolchain.sh \ --install-all \ --mpi-mode=mpich \ --with-dbcsr \ --with-gcc=system \ --dry-run # Dry-run leaves behind config files for the followup install scripts. # This breaks up the lengthy installation into smaller build steps. COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/ RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build COPY ./tools/toolchain/scripts/stage1/ ./scripts/stage1/ RUN ./scripts/stage1/install_stage1.sh && rm -rf ./build COPY ./tools/toolchain/scripts/stage2/ ./scripts/stage2/ RUN ./scripts/stage2/install_stage2.sh && rm -rf ./build COPY ./tools/toolchain/scripts/stage3/ ./scripts/stage3/ RUN ./scripts/stage3/install_stage3.sh && rm -rf ./build COPY ./tools/toolchain/scripts/stage4/ ./scripts/stage4/ RUN ./scripts/stage4/install_stage4.sh && rm -rf ./build COPY ./tools/toolchain/scripts/stage5/ ./scripts/stage5/ RUN ./scripts/stage5/install_stage5.sh && rm -rf ./build COPY ./tools/toolchain/scripts/stage6/ ./scripts/stage6/ RUN ./scripts/stage6/install_stage6.sh && rm -rf ./build COPY ./tools/toolchain/scripts/stage7/ ./scripts/stage7/ RUN ./scripts/stage7/install_stage7.sh && rm -rf ./build COPY ./tools/toolchain/scripts/stage8/ ./scripts/stage8/ RUN ./scripts/stage8/install_stage8.sh && rm -rf ./build COPY ./tools/toolchain/scripts/stage9/ ./scripts/stage9/ RUN ./scripts/stage9/install_stage9.sh && rm -rf ./build # Install CP2K sources. WORKDIR /opt/cp2k COPY ./src ./src COPY ./data ./data COPY ./tools/build_utils ./tools/build_utils COPY ./cmake ./cmake COPY ./CMakeLists.txt . # Compile CP2K. COPY ./tools/docker/scripts/build_cp2k.sh ./tools/docker/scripts/cmake_cp2k.sh ./ RUN ./build_cp2k.sh toolchain psmp # Run performance test for toolchain. COPY ./benchmarks ./benchmarks COPY ./tools/regtesting ./tools/regtesting COPY ./tools/docker/scripts/test_performance.sh \ ./tools/docker/scripts/plot_performance.py \ ./ RUN ./test_performance.sh "toolchain" 2>&1 | tee report.log # Output the report if the image is old and was therefore pulled from the build cache. CMD cat $(find ./report.log -mmin +10) | sed '/^Summary:/ s/$/ (cached)/' ENTRYPOINT [] #EOF