mirror of
https://github.com/cp2k/cp2k.git
synced 2026-07-28 14:15:19 -04:00
Docker: Generate dockerfiles for remaining CI tests
This commit is contained in:
Ole Schütt
Ole Schütt
parent
b639cfd4b8
commit
2e46d64db7
35 changed files with 1216 additions and 147 deletions
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@ -1,21 +1,78 @@
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ARG TOOLCHAIN=cp2k/toolchain:latest
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FROM ${TOOLCHAIN}
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#
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# This file was created by generate_dockerfiles.py.
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# Usage: docker build -f ./Dockerfile.test_aiida ../../
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#
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# author: Ole Schuett
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FROM ubuntu:20.04
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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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--install-all \
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--mpi-mode=mpich \
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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 docker 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/arch_base.tmpl \
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./tools/toolchain/scripts/generate_arch_files.sh \
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./scripts/
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RUN ./scripts/generate_arch_files.sh && rm -rf ./build
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# Install test for aiida.
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WORKDIR /workspace
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COPY ./scripts/install_basics.sh .
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COPY ./tools/docker/scripts/install_basics.sh .
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RUN ./install_basics.sh
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# Some buggy Python packages open utf8 files in text mode.
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# As workaround we set locale.getpreferredencoding() to utf8.
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ENV LANG="en_US.UTF-8" LANGUAGE="en_US:en" LC_ALL="en_US.UTF-8"
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COPY ./scripts/install_aiida.sh .
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COPY ./tools/docker/scripts/install_aiida.sh .
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RUN ./install_aiida.sh
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COPY ./scripts/ci_entrypoint.sh ./scripts/test_aiida.sh ./
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COPY ./tools/docker/scripts/ci_entrypoint.sh ./tools/docker/scripts/test_aiida.sh ./
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CMD ["./ci_entrypoint.sh", "./test_aiida.sh"]
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#EOF
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@ -1,17 +1,78 @@
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ARG TOOLCHAIN=cp2k/toolchain:latest
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FROM ${TOOLCHAIN}
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#
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# This file was created by generate_dockerfiles.py.
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# Usage: docker build -f ./Dockerfile.test_ase ../../
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#
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# author: Ole Schuett
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FROM ubuntu:20.04
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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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--install-all \
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--mpi-mode=mpich \
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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 docker 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/arch_base.tmpl \
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./tools/toolchain/scripts/generate_arch_files.sh \
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./scripts/
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RUN ./scripts/generate_arch_files.sh && rm -rf ./build
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# Install test for ase.
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WORKDIR /workspace
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COPY ./scripts/install_basics.sh .
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COPY ./tools/docker/scripts/install_basics.sh .
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RUN ./install_basics.sh
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COPY ./scripts/install_ase.sh .
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# Some buggy Python packages open utf8 files in text mode.
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# As workaround we set locale.getpreferredencoding() to utf8.
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ENV LANG="en_US.UTF-8" LANGUAGE="en_US:en" LC_ALL="en_US.UTF-8"
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COPY ./tools/docker/scripts/install_ase.sh .
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RUN ./install_ase.sh
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COPY ./scripts/ci_entrypoint.sh ./scripts/test_ase.sh ./
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COPY ./tools/docker/scripts/ci_entrypoint.sh ./tools/docker/scripts/test_ase.sh ./
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CMD ["./ci_entrypoint.sh", "./test_ase.sh"]
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#EOF
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@ -1,17 +1,78 @@
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ARG TOOLCHAIN=cp2k/toolchain:latest
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FROM ${TOOLCHAIN}
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#
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# This file was created by generate_dockerfiles.py.
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# Usage: docker build -f ./Dockerfile.test_conventions ../../
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#
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# author: Ole Schuett
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FROM ubuntu:20.04
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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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--install-all \
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--mpi-mode=mpich \
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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 docker 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/arch_base.tmpl \
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./tools/toolchain/scripts/generate_arch_files.sh \
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./scripts/
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RUN ./scripts/generate_arch_files.sh && rm -rf ./build
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# Install test for conventions.
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WORKDIR /workspace
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COPY ./scripts/install_basics.sh .
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COPY ./tools/docker/scripts/install_basics.sh .
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RUN ./install_basics.sh
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COPY ./scripts/install_conventions.sh .
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# Some buggy Python packages open utf8 files in text mode.
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# As workaround we set locale.getpreferredencoding() to utf8.
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ENV LANG="en_US.UTF-8" LANGUAGE="en_US:en" LC_ALL="en_US.UTF-8"
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COPY ./tools/docker/scripts/install_conventions.sh .
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RUN ./install_conventions.sh
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COPY ./scripts/ci_entrypoint.sh ./scripts/test_conventions.sh ./
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COPY ./tools/docker/scripts/ci_entrypoint.sh ./tools/docker/scripts/test_conventions.sh ./
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CMD ["./ci_entrypoint.sh", "./test_conventions.sh"]
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#EOF
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@ -1,20 +1,77 @@
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ARG TOOLCHAIN=cp2k/toolchain:latest
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FROM ${TOOLCHAIN}
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#
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# This file was created by generate_dockerfiles.py.
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# Usage: docker build -f ./Dockerfile.test_coverage-pdbg ../../
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#
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# author: Ole Schuett
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FROM ubuntu:20.04
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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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--install-all \
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--mpi-mode=mpich \
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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 docker 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/arch_base.tmpl \
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./tools/toolchain/scripts/generate_arch_files.sh \
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./scripts/
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RUN ./scripts/generate_arch_files.sh && rm -rf ./build
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# Install coverage test for pdbg.
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WORKDIR /workspace
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COPY ./scripts/install_basics.sh .
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COPY ./tools/docker/scripts/install_basics.sh .
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RUN ./install_basics.sh
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COPY ./scripts/install_coverage.sh .
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COPY ./tools/docker/scripts/install_coverage.sh .
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RUN ./install_coverage.sh
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COPY ./scripts/install_regtest.sh .
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COPY ./tools/docker/scripts/install_regtest.sh .
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RUN ./install_regtest.sh local_coverage pdbg
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COPY ./scripts/ci_entrypoint.sh ./scripts/test_coverage.sh ./
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COPY ./tools/docker/scripts/ci_entrypoint.sh ./tools/docker/scripts/test_coverage.sh ./
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CMD ["./ci_entrypoint.sh", "./test_coverage.sh", "pdbg"]
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#EOF
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@ -1,20 +1,77 @@
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ARG TOOLCHAIN=cp2k/toolchain:latest
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FROM ${TOOLCHAIN}
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#
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# This file was created by generate_dockerfiles.py.
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# Usage: docker build -f ./Dockerfile.test_coverage-sdbg ../../
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#
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# author: Ole Schuett
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FROM ubuntu:20.04
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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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--install-all \
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--mpi-mode=mpich \
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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 docker 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/arch_base.tmpl \
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./tools/toolchain/scripts/generate_arch_files.sh \
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./scripts/
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RUN ./scripts/generate_arch_files.sh && rm -rf ./build
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# Install coverage test for sdbg.
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WORKDIR /workspace
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COPY ./scripts/install_basics.sh .
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COPY ./tools/docker/scripts/install_basics.sh .
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RUN ./install_basics.sh
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COPY ./scripts/install_coverage.sh .
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COPY ./tools/docker/scripts/install_coverage.sh .
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RUN ./install_coverage.sh
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COPY ./scripts/install_regtest.sh .
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COPY ./tools/docker/scripts/install_regtest.sh .
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RUN ./install_regtest.sh local_coverage sdbg
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COPY ./scripts/ci_entrypoint.sh ./scripts/test_coverage.sh ./
|
||||
COPY ./tools/docker/scripts/ci_entrypoint.sh ./tools/docker/scripts/test_coverage.sh ./
|
||||
CMD ["./ci_entrypoint.sh", "./test_coverage.sh", "sdbg"]
|
||||
|
||||
#EOF
|
||||
|
|
|
|||
|
|
@ -18,8 +18,8 @@ RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
|
|||
|
||||
# Install requirements for the toolchain.
|
||||
WORKDIR /opt/cp2k-toolchain
|
||||
COPY ./tools/toolchain/install_requirements_ubuntu.sh .
|
||||
RUN ./install_requirements_ubuntu.sh
|
||||
COPY ./tools/toolchain/install_requirements*.sh ./
|
||||
RUN ./install_requirements.sh ubuntu
|
||||
|
||||
# Install the toolchain.
|
||||
RUN mkdir scripts
|
||||
|
|
|
|||
|
|
@ -18,8 +18,8 @@ RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
|
|||
|
||||
# Install requirements for the toolchain.
|
||||
WORKDIR /opt/cp2k-toolchain
|
||||
COPY ./tools/toolchain/install_requirements_ubuntu.sh .
|
||||
RUN ./install_requirements_ubuntu.sh
|
||||
COPY ./tools/toolchain/install_requirements*.sh ./
|
||||
RUN ./install_requirements.sh ubuntu
|
||||
|
||||
# Install the toolchain.
|
||||
RUN mkdir scripts
|
||||
|
|
|
|||
|
|
@ -18,8 +18,8 @@ RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
|
|||
|
||||
# Install requirements for the toolchain.
|
||||
WORKDIR /opt/cp2k-toolchain
|
||||
COPY ./tools/toolchain/install_requirements_ubuntu.sh .
|
||||
RUN ./install_requirements_ubuntu.sh
|
||||
COPY ./tools/toolchain/install_requirements*.sh ./
|
||||
RUN ./install_requirements.sh ubuntu
|
||||
|
||||
# Install the toolchain.
|
||||
RUN mkdir scripts
|
||||
|
|
|
|||
|
|
@ -1,16 +1,24 @@
|
|||
#
|
||||
# This file was created by generate_dockerfiles.py.
|
||||
# Usage: docker build -f ./Dockerfile.test_doxygen ../../
|
||||
#
|
||||
|
||||
FROM ubuntu:20.04
|
||||
|
||||
# author: Ole Schuett
|
||||
|
||||
# Install test for doxygen.
|
||||
WORKDIR /workspace
|
||||
|
||||
COPY ./scripts/install_basics.sh .
|
||||
COPY ./tools/docker/scripts/install_basics.sh .
|
||||
RUN ./install_basics.sh
|
||||
|
||||
COPY ./scripts/install_doxygen.sh .
|
||||
# Some buggy Python packages open utf8 files in text mode.
|
||||
# As workaround we set locale.getpreferredencoding() to utf8.
|
||||
ENV LANG="en_US.UTF-8" LANGUAGE="en_US:en" LC_ALL="en_US.UTF-8"
|
||||
|
||||
COPY ./tools/docker/scripts/install_doxygen.sh .
|
||||
RUN ./install_doxygen.sh
|
||||
|
||||
COPY ./scripts/ci_entrypoint.sh ./scripts/test_doxygen.sh ./
|
||||
COPY ./tools/docker/scripts/ci_entrypoint.sh ./tools/docker/scripts/test_doxygen.sh ./
|
||||
CMD ["./ci_entrypoint.sh", "./test_doxygen.sh"]
|
||||
|
||||
#EOF
|
||||
|
|
|
|||
74
tools/docker/Dockerfile.test_fedora-psmp
Normal file
74
tools/docker/Dockerfile.test_fedora-psmp
Normal file
|
|
@ -0,0 +1,74 @@
|
|||
#
|
||||
# This file was created by generate_dockerfiles.py.
|
||||
# Usage: docker build -f ./Dockerfile.test_fedora-psmp ../../
|
||||
#
|
||||
|
||||
FROM fedora:33
|
||||
|
||||
# Install requirements for the toolchain.
|
||||
WORKDIR /opt/cp2k-toolchain
|
||||
COPY ./tools/toolchain/install_requirements*.sh ./
|
||||
RUN ./install_requirements.sh fedora:33
|
||||
|
||||
# Install the toolchain.
|
||||
RUN mkdir scripts
|
||||
COPY ./tools/toolchain/scripts/VERSION \
|
||||
./tools/toolchain/scripts/parse_if.py \
|
||||
./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 \
|
||||
--dry-run
|
||||
|
||||
# Dry-run leaves behind config files for the followup install scripts.
|
||||
# This breaks up the lengthy installation into smaller docker 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/arch_base.tmpl \
|
||||
./tools/toolchain/scripts/generate_arch_files.sh \
|
||||
./scripts/
|
||||
RUN ./scripts/generate_arch_files.sh && rm -rf ./build
|
||||
|
||||
# Install regression test for local.psmp.
|
||||
WORKDIR /workspace
|
||||
|
||||
COPY ./tools/docker/scripts/install_basics.sh .
|
||||
RUN ./install_basics.sh
|
||||
|
||||
COPY ./tools/docker/scripts/install_regtest.sh .
|
||||
RUN ./install_regtest.sh local psmp
|
||||
|
||||
COPY ./tools/docker/scripts/ci_entrypoint.sh ./tools/docker/scripts/test_regtest.sh ./
|
||||
CMD ["./ci_entrypoint.sh", "./test_regtest.sh", "local", "psmp"]
|
||||
|
||||
#EOF
|
||||
|
|
@ -25,8 +25,8 @@ RUN ln -sf gcc-10 /usr/bin/gcc && \
|
|||
|
||||
# Install requirements for the toolchain.
|
||||
WORKDIR /opt/cp2k-toolchain
|
||||
COPY ./tools/toolchain/install_requirements_ubuntu.sh .
|
||||
RUN ./install_requirements_ubuntu.sh
|
||||
COPY ./tools/toolchain/install_requirements*.sh ./
|
||||
RUN ./install_requirements.sh ubuntu
|
||||
|
||||
# Install the toolchain.
|
||||
RUN mkdir scripts
|
||||
|
|
|
|||
|
|
@ -25,8 +25,8 @@ RUN ln -sf gcc-7 /usr/bin/gcc && \
|
|||
|
||||
# Install requirements for the toolchain.
|
||||
WORKDIR /opt/cp2k-toolchain
|
||||
COPY ./tools/toolchain/install_requirements_ubuntu.sh .
|
||||
RUN ./install_requirements_ubuntu.sh
|
||||
COPY ./tools/toolchain/install_requirements*.sh ./
|
||||
RUN ./install_requirements.sh ubuntu
|
||||
|
||||
# Install the toolchain.
|
||||
RUN mkdir scripts
|
||||
|
|
|
|||
|
|
@ -25,8 +25,8 @@ RUN ln -sf gcc-8 /usr/bin/gcc && \
|
|||
|
||||
# Install requirements for the toolchain.
|
||||
WORKDIR /opt/cp2k-toolchain
|
||||
COPY ./tools/toolchain/install_requirements_ubuntu.sh .
|
||||
RUN ./install_requirements_ubuntu.sh
|
||||
COPY ./tools/toolchain/install_requirements*.sh ./
|
||||
RUN ./install_requirements.sh ubuntu
|
||||
|
||||
# Install the toolchain.
|
||||
RUN mkdir scripts
|
||||
|
|
|
|||
|
|
@ -25,8 +25,8 @@ RUN ln -sf gcc-9 /usr/bin/gcc && \
|
|||
|
||||
# Install requirements for the toolchain.
|
||||
WORKDIR /opt/cp2k-toolchain
|
||||
COPY ./tools/toolchain/install_requirements_ubuntu.sh .
|
||||
RUN ./install_requirements_ubuntu.sh
|
||||
COPY ./tools/toolchain/install_requirements*.sh ./
|
||||
RUN ./install_requirements.sh ubuntu
|
||||
|
||||
# Install the toolchain.
|
||||
RUN mkdir scripts
|
||||
|
|
|
|||
|
|
@ -1,17 +1,78 @@
|
|||
ARG TOOLCHAIN=cp2k/toolchain:latest
|
||||
FROM ${TOOLCHAIN}
|
||||
#
|
||||
# This file was created by generate_dockerfiles.py.
|
||||
# Usage: docker build -f ./Dockerfile.test_gromacs ../../
|
||||
#
|
||||
|
||||
# author: Ole Schuett
|
||||
FROM ubuntu:20.04
|
||||
|
||||
# Install requirements for the toolchain.
|
||||
WORKDIR /opt/cp2k-toolchain
|
||||
COPY ./tools/toolchain/install_requirements*.sh ./
|
||||
RUN ./install_requirements.sh ubuntu:20.04
|
||||
|
||||
# Install the toolchain.
|
||||
RUN mkdir scripts
|
||||
COPY ./tools/toolchain/scripts/VERSION \
|
||||
./tools/toolchain/scripts/parse_if.py \
|
||||
./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 \
|
||||
--dry-run
|
||||
|
||||
# Dry-run leaves behind config files for the followup install scripts.
|
||||
# This breaks up the lengthy installation into smaller docker 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/arch_base.tmpl \
|
||||
./tools/toolchain/scripts/generate_arch_files.sh \
|
||||
./scripts/
|
||||
RUN ./scripts/generate_arch_files.sh && rm -rf ./build
|
||||
|
||||
# Install test for gromacs.
|
||||
WORKDIR /workspace
|
||||
|
||||
COPY ./scripts/install_basics.sh .
|
||||
COPY ./tools/docker/scripts/install_basics.sh .
|
||||
RUN ./install_basics.sh
|
||||
|
||||
COPY ./scripts/install_gromacs.sh .
|
||||
# Some buggy Python packages open utf8 files in text mode.
|
||||
# As workaround we set locale.getpreferredencoding() to utf8.
|
||||
ENV LANG="en_US.UTF-8" LANGUAGE="en_US:en" LC_ALL="en_US.UTF-8"
|
||||
|
||||
COPY ./tools/docker/scripts/install_gromacs.sh .
|
||||
RUN ./install_gromacs.sh
|
||||
|
||||
COPY ./scripts/ci_entrypoint.sh ./scripts/test_gromacs.sh ./
|
||||
COPY ./tools/docker/scripts/ci_entrypoint.sh ./tools/docker/scripts/test_gromacs.sh ./
|
||||
CMD ["./ci_entrypoint.sh", "./test_gromacs.sh"]
|
||||
|
||||
#EOF
|
||||
|
|
|
|||
|
|
@ -96,8 +96,8 @@ RUN hipconfig
|
|||
|
||||
# Install requirements for the toolchain.
|
||||
WORKDIR /opt/cp2k-toolchain
|
||||
COPY ./tools/toolchain/install_requirements_ubuntu.sh .
|
||||
RUN ./install_requirements_ubuntu.sh
|
||||
COPY ./tools/toolchain/install_requirements*.sh ./
|
||||
RUN ./install_requirements.sh ubuntu
|
||||
|
||||
# Install the toolchain.
|
||||
RUN mkdir scripts
|
||||
|
|
|
|||
|
|
@ -96,8 +96,8 @@ RUN hipconfig
|
|||
|
||||
# Install requirements for the toolchain.
|
||||
WORKDIR /opt/cp2k-toolchain
|
||||
COPY ./tools/toolchain/install_requirements_ubuntu.sh .
|
||||
RUN ./install_requirements_ubuntu.sh
|
||||
COPY ./tools/toolchain/install_requirements*.sh ./
|
||||
RUN ./install_requirements.sh ubuntu
|
||||
|
||||
# Install the toolchain.
|
||||
RUN mkdir scripts
|
||||
|
|
|
|||
|
|
@ -96,8 +96,8 @@ RUN hipconfig
|
|||
|
||||
# Install requirements for the toolchain.
|
||||
WORKDIR /opt/cp2k-toolchain
|
||||
COPY ./tools/toolchain/install_requirements_ubuntu.sh .
|
||||
RUN ./install_requirements_ubuntu.sh
|
||||
COPY ./tools/toolchain/install_requirements*.sh ./
|
||||
RUN ./install_requirements.sh ubuntu
|
||||
|
||||
# Install the toolchain.
|
||||
RUN mkdir scripts
|
||||
|
|
|
|||
|
|
@ -22,8 +22,8 @@ RUN hipconfig
|
|||
|
||||
# Install requirements for the toolchain.
|
||||
WORKDIR /opt/cp2k-toolchain
|
||||
COPY ./tools/toolchain/install_requirements_ubuntu.sh .
|
||||
RUN ./install_requirements_ubuntu.sh
|
||||
COPY ./tools/toolchain/install_requirements*.sh ./
|
||||
RUN ./install_requirements.sh ubuntu
|
||||
|
||||
# Install the toolchain.
|
||||
RUN mkdir scripts
|
||||
|
|
|
|||
|
|
@ -22,8 +22,8 @@ RUN hipconfig
|
|||
|
||||
# Install requirements for the toolchain.
|
||||
WORKDIR /opt/cp2k-toolchain
|
||||
COPY ./tools/toolchain/install_requirements_ubuntu.sh .
|
||||
RUN ./install_requirements_ubuntu.sh
|
||||
COPY ./tools/toolchain/install_requirements*.sh ./
|
||||
RUN ./install_requirements.sh ubuntu
|
||||
|
||||
# Install the toolchain.
|
||||
RUN mkdir scripts
|
||||
|
|
|
|||
|
|
@ -1,17 +1,78 @@
|
|||
ARG TOOLCHAIN=cp2k/toolchain:latest
|
||||
FROM ${TOOLCHAIN}
|
||||
#
|
||||
# This file was created by generate_dockerfiles.py.
|
||||
# Usage: docker build -f ./Dockerfile.test_i-pi ../../
|
||||
#
|
||||
|
||||
# author: Ole Schuett
|
||||
FROM ubuntu:20.04
|
||||
|
||||
# Install requirements for the toolchain.
|
||||
WORKDIR /opt/cp2k-toolchain
|
||||
COPY ./tools/toolchain/install_requirements*.sh ./
|
||||
RUN ./install_requirements.sh ubuntu:20.04
|
||||
|
||||
# Install the toolchain.
|
||||
RUN mkdir scripts
|
||||
COPY ./tools/toolchain/scripts/VERSION \
|
||||
./tools/toolchain/scripts/parse_if.py \
|
||||
./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 \
|
||||
--dry-run
|
||||
|
||||
# Dry-run leaves behind config files for the followup install scripts.
|
||||
# This breaks up the lengthy installation into smaller docker 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/arch_base.tmpl \
|
||||
./tools/toolchain/scripts/generate_arch_files.sh \
|
||||
./scripts/
|
||||
RUN ./scripts/generate_arch_files.sh && rm -rf ./build
|
||||
|
||||
# Install test for i-pi.
|
||||
WORKDIR /workspace
|
||||
|
||||
COPY ./scripts/install_basics.sh .
|
||||
COPY ./tools/docker/scripts/install_basics.sh .
|
||||
RUN ./install_basics.sh
|
||||
|
||||
COPY ./scripts/install_i-pi.sh .
|
||||
# Some buggy Python packages open utf8 files in text mode.
|
||||
# As workaround we set locale.getpreferredencoding() to utf8.
|
||||
ENV LANG="en_US.UTF-8" LANGUAGE="en_US:en" LC_ALL="en_US.UTF-8"
|
||||
|
||||
COPY ./tools/docker/scripts/install_i-pi.sh .
|
||||
RUN ./install_i-pi.sh
|
||||
|
||||
COPY ./scripts/ci_entrypoint.sh ./scripts/test_i-pi.sh ./
|
||||
COPY ./tools/docker/scripts/ci_entrypoint.sh ./tools/docker/scripts/test_i-pi.sh ./
|
||||
CMD ["./ci_entrypoint.sh", "./test_i-pi.sh"]
|
||||
|
||||
#EOF
|
||||
|
|
|
|||
|
|
@ -25,8 +25,8 @@ RUN ln -sf gcc-10 /usr/bin/gcc && \
|
|||
|
||||
# Install requirements for the toolchain.
|
||||
WORKDIR /opt/cp2k-toolchain
|
||||
COPY ./tools/toolchain/install_requirements_ubuntu.sh .
|
||||
RUN ./install_requirements_ubuntu.sh
|
||||
COPY ./tools/toolchain/install_requirements*.sh ./
|
||||
RUN ./install_requirements.sh ubuntu
|
||||
|
||||
# Install the toolchain.
|
||||
RUN mkdir scripts
|
||||
|
|
|
|||
|
|
@ -1,17 +1,78 @@
|
|||
ARG TOOLCHAIN=cp2k/toolchain:latest
|
||||
FROM ${TOOLCHAIN}
|
||||
#
|
||||
# This file was created by generate_dockerfiles.py.
|
||||
# Usage: docker build -f ./Dockerfile.test_manual ../../
|
||||
#
|
||||
|
||||
# author: Ole Schuett
|
||||
FROM ubuntu:20.04
|
||||
|
||||
# Install requirements for the toolchain.
|
||||
WORKDIR /opt/cp2k-toolchain
|
||||
COPY ./tools/toolchain/install_requirements*.sh ./
|
||||
RUN ./install_requirements.sh ubuntu:20.04
|
||||
|
||||
# Install the toolchain.
|
||||
RUN mkdir scripts
|
||||
COPY ./tools/toolchain/scripts/VERSION \
|
||||
./tools/toolchain/scripts/parse_if.py \
|
||||
./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 \
|
||||
--dry-run
|
||||
|
||||
# Dry-run leaves behind config files for the followup install scripts.
|
||||
# This breaks up the lengthy installation into smaller docker 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/arch_base.tmpl \
|
||||
./tools/toolchain/scripts/generate_arch_files.sh \
|
||||
./scripts/
|
||||
RUN ./scripts/generate_arch_files.sh && rm -rf ./build
|
||||
|
||||
# Install test for manual.
|
||||
WORKDIR /workspace
|
||||
|
||||
COPY ./scripts/install_basics.sh .
|
||||
COPY ./tools/docker/scripts/install_basics.sh .
|
||||
RUN ./install_basics.sh
|
||||
|
||||
COPY ./scripts/install_manual.sh .
|
||||
# Some buggy Python packages open utf8 files in text mode.
|
||||
# As workaround we set locale.getpreferredencoding() to utf8.
|
||||
ENV LANG="en_US.UTF-8" LANGUAGE="en_US:en" LC_ALL="en_US.UTF-8"
|
||||
|
||||
COPY ./tools/docker/scripts/install_manual.sh .
|
||||
RUN ./install_manual.sh
|
||||
|
||||
COPY ./scripts/ci_entrypoint.sh ./scripts/test_manual.sh ./
|
||||
COPY ./tools/docker/scripts/ci_entrypoint.sh ./tools/docker/scripts/test_manual.sh ./
|
||||
CMD ["./ci_entrypoint.sh", "./test_manual.sh"]
|
||||
|
||||
#EOF
|
||||
|
|
|
|||
|
|
@ -1,17 +1,74 @@
|
|||
ARG TOOLCHAIN=cp2k/toolchain:latest
|
||||
FROM ${TOOLCHAIN}
|
||||
#
|
||||
# This file was created by generate_dockerfiles.py.
|
||||
# Usage: docker build -f ./Dockerfile.test_minimal ../../
|
||||
#
|
||||
|
||||
# author: Ole Schuett
|
||||
FROM ubuntu:20.04
|
||||
|
||||
# Install requirements for the toolchain.
|
||||
WORKDIR /opt/cp2k-toolchain
|
||||
COPY ./tools/toolchain/install_requirements*.sh ./
|
||||
RUN ./install_requirements.sh ubuntu:20.04
|
||||
|
||||
# Install the toolchain.
|
||||
RUN mkdir scripts
|
||||
COPY ./tools/toolchain/scripts/VERSION \
|
||||
./tools/toolchain/scripts/parse_if.py \
|
||||
./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 \
|
||||
--dry-run
|
||||
|
||||
# Dry-run leaves behind config files for the followup install scripts.
|
||||
# This breaks up the lengthy installation into smaller docker 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/arch_base.tmpl \
|
||||
./tools/toolchain/scripts/generate_arch_files.sh \
|
||||
./scripts/
|
||||
RUN ./scripts/generate_arch_files.sh && rm -rf ./build
|
||||
|
||||
# Install regression test for minimal.sdbg.
|
||||
WORKDIR /workspace
|
||||
|
||||
COPY ./scripts/install_basics.sh .
|
||||
COPY ./tools/docker/scripts/install_basics.sh .
|
||||
RUN ./install_basics.sh
|
||||
|
||||
COPY ./scripts/install_regtest.sh .
|
||||
COPY ./tools/docker/scripts/install_regtest.sh .
|
||||
RUN ./install_regtest.sh minimal sdbg
|
||||
|
||||
COPY ./scripts/ci_entrypoint.sh ./scripts/test_regtest.sh ./
|
||||
COPY ./tools/docker/scripts/ci_entrypoint.sh ./tools/docker/scripts/test_regtest.sh ./
|
||||
CMD ["./ci_entrypoint.sh", "./test_regtest.sh", "minimal", "sdbg"]
|
||||
|
||||
#EOF
|
||||
|
|
|
|||
74
tools/docker/Dockerfile.test_openmpi-psmp
Normal file
74
tools/docker/Dockerfile.test_openmpi-psmp
Normal file
|
|
@ -0,0 +1,74 @@
|
|||
#
|
||||
# This file was created by generate_dockerfiles.py.
|
||||
# Usage: docker build -f ./Dockerfile.test_openmpi-psmp ../../
|
||||
#
|
||||
|
||||
FROM ubuntu:20.04
|
||||
|
||||
# Install requirements for the toolchain.
|
||||
WORKDIR /opt/cp2k-toolchain
|
||||
COPY ./tools/toolchain/install_requirements*.sh ./
|
||||
RUN ./install_requirements.sh ubuntu:20.04
|
||||
|
||||
# Install the toolchain.
|
||||
RUN mkdir scripts
|
||||
COPY ./tools/toolchain/scripts/VERSION \
|
||||
./tools/toolchain/scripts/parse_if.py \
|
||||
./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=openmpi \
|
||||
--dry-run
|
||||
|
||||
# Dry-run leaves behind config files for the followup install scripts.
|
||||
# This breaks up the lengthy installation into smaller docker 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/arch_base.tmpl \
|
||||
./tools/toolchain/scripts/generate_arch_files.sh \
|
||||
./scripts/
|
||||
RUN ./scripts/generate_arch_files.sh && rm -rf ./build
|
||||
|
||||
# Install regression test for local.psmp.
|
||||
WORKDIR /workspace
|
||||
|
||||
COPY ./tools/docker/scripts/install_basics.sh .
|
||||
RUN ./install_basics.sh
|
||||
|
||||
COPY ./tools/docker/scripts/install_regtest.sh .
|
||||
RUN ./install_regtest.sh local psmp
|
||||
|
||||
COPY ./tools/docker/scripts/ci_entrypoint.sh ./tools/docker/scripts/test_regtest.sh ./
|
||||
CMD ["./ci_entrypoint.sh", "./test_regtest.sh", "local", "psmp"]
|
||||
|
||||
#EOF
|
||||
|
|
@ -1,18 +1,74 @@
|
|||
ARG TOOLCHAIN=cp2k/toolchain:latest
|
||||
FROM ${TOOLCHAIN}
|
||||
#
|
||||
# This file was created by generate_dockerfiles.py.
|
||||
# Usage: docker build -f ./Dockerfile.test_pdbg ../../
|
||||
#
|
||||
|
||||
# author: Ole Schuett
|
||||
FROM ubuntu:20.04
|
||||
|
||||
# Install requirements for the toolchain.
|
||||
WORKDIR /opt/cp2k-toolchain
|
||||
COPY ./tools/toolchain/install_requirements*.sh ./
|
||||
RUN ./install_requirements.sh ubuntu:20.04
|
||||
|
||||
# Install the toolchain.
|
||||
RUN mkdir scripts
|
||||
COPY ./tools/toolchain/scripts/VERSION \
|
||||
./tools/toolchain/scripts/parse_if.py \
|
||||
./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 \
|
||||
--dry-run
|
||||
|
||||
# Dry-run leaves behind config files for the followup install scripts.
|
||||
# This breaks up the lengthy installation into smaller docker 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/arch_base.tmpl \
|
||||
./tools/toolchain/scripts/generate_arch_files.sh \
|
||||
./scripts/
|
||||
RUN ./scripts/generate_arch_files.sh && rm -rf ./build
|
||||
|
||||
# Install regression test for local.pdbg.
|
||||
WORKDIR /workspace
|
||||
|
||||
COPY ./scripts/install_basics.sh .
|
||||
COPY ./tools/docker/scripts/install_basics.sh .
|
||||
RUN ./install_basics.sh
|
||||
|
||||
COPY ./scripts/install_regtest.sh .
|
||||
COPY ./tools/docker/scripts/install_regtest.sh .
|
||||
RUN ./install_regtest.sh local pdbg
|
||||
|
||||
ENV USE_STABLE_DBCSR=1
|
||||
COPY ./scripts/ci_entrypoint.sh ./scripts/test_regtest.sh ./
|
||||
COPY ./tools/docker/scripts/ci_entrypoint.sh ./tools/docker/scripts/test_regtest.sh ./
|
||||
CMD ["./ci_entrypoint.sh", "./test_regtest.sh", "local", "pdbg"]
|
||||
|
||||
#EOF
|
||||
|
|
|
|||
|
|
@ -1,19 +1,76 @@
|
|||
ARG TOOLCHAIN=cp2k/toolchain:latest
|
||||
FROM ${TOOLCHAIN}
|
||||
#
|
||||
# This file was created by generate_dockerfiles.py.
|
||||
# Usage: docker build -f ./Dockerfile.test_performance ../../
|
||||
#
|
||||
|
||||
# author: Ole Schuett
|
||||
FROM ubuntu:20.04
|
||||
|
||||
# Install requirements for the toolchain.
|
||||
WORKDIR /opt/cp2k-toolchain
|
||||
COPY ./tools/toolchain/install_requirements*.sh ./
|
||||
RUN ./install_requirements.sh ubuntu:20.04
|
||||
|
||||
# Install the toolchain.
|
||||
RUN mkdir scripts
|
||||
COPY ./tools/toolchain/scripts/VERSION \
|
||||
./tools/toolchain/scripts/parse_if.py \
|
||||
./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 \
|
||||
--dry-run
|
||||
|
||||
# Dry-run leaves behind config files for the followup install scripts.
|
||||
# This breaks up the lengthy installation into smaller docker 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/arch_base.tmpl \
|
||||
./tools/toolchain/scripts/generate_arch_files.sh \
|
||||
./scripts/
|
||||
RUN ./scripts/generate_arch_files.sh && rm -rf ./build
|
||||
|
||||
# Install performance test for local.
|
||||
WORKDIR /workspace
|
||||
|
||||
COPY ./scripts/install_basics.sh .
|
||||
COPY ./tools/docker/scripts/install_basics.sh .
|
||||
RUN ./install_basics.sh
|
||||
|
||||
COPY ./scripts/install_performance.sh .
|
||||
COPY ./tools/docker/scripts/install_performance.sh .
|
||||
RUN ./install_performance.sh "local"
|
||||
|
||||
COPY ./scripts/ci_entrypoint.sh \
|
||||
./scripts/test_performance.sh \
|
||||
./scripts/plot_performance.py \
|
||||
COPY ./tools/docker/scripts/ci_entrypoint.sh \
|
||||
./tools/docker/scripts/test_performance.sh \
|
||||
./tools/docker/scripts/plot_performance.py \
|
||||
./
|
||||
|
||||
CMD ["./ci_entrypoint.sh", "./test_performance.sh", "local"]
|
||||
|
|
|
|||
|
|
@ -18,8 +18,8 @@ RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
|
|||
|
||||
# Install requirements for the toolchain.
|
||||
WORKDIR /opt/cp2k-toolchain
|
||||
COPY ./tools/toolchain/install_requirements_ubuntu.sh .
|
||||
RUN ./install_requirements_ubuntu.sh
|
||||
COPY ./tools/toolchain/install_requirements*.sh ./
|
||||
RUN ./install_requirements.sh ubuntu
|
||||
|
||||
# Install the toolchain.
|
||||
RUN mkdir scripts
|
||||
|
|
@ -71,7 +71,7 @@ COPY ./tools/toolchain/scripts/arch_base.tmpl \
|
|||
./scripts/
|
||||
RUN ./scripts/generate_arch_files.sh && rm -rf ./build
|
||||
|
||||
# Install performance test for local_cuda
|
||||
# Install performance test for local_cuda.
|
||||
WORKDIR /workspace
|
||||
|
||||
COPY ./tools/docker/scripts/install_basics.sh .
|
||||
|
|
|
|||
|
|
@ -18,8 +18,8 @@ RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
|
|||
|
||||
# Install requirements for the toolchain.
|
||||
WORKDIR /opt/cp2k-toolchain
|
||||
COPY ./tools/toolchain/install_requirements_ubuntu.sh .
|
||||
RUN ./install_requirements_ubuntu.sh
|
||||
COPY ./tools/toolchain/install_requirements*.sh ./
|
||||
RUN ./install_requirements.sh ubuntu
|
||||
|
||||
# Install the toolchain.
|
||||
RUN mkdir scripts
|
||||
|
|
@ -71,7 +71,7 @@ COPY ./tools/toolchain/scripts/arch_base.tmpl \
|
|||
./scripts/
|
||||
RUN ./scripts/generate_arch_files.sh && rm -rf ./build
|
||||
|
||||
# Install performance test for local_cuda
|
||||
# Install performance test for local_cuda.
|
||||
WORKDIR /workspace
|
||||
|
||||
COPY ./tools/docker/scripts/install_basics.sh .
|
||||
|
|
|
|||
|
|
@ -18,8 +18,8 @@ RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
|
|||
|
||||
# Install requirements for the toolchain.
|
||||
WORKDIR /opt/cp2k-toolchain
|
||||
COPY ./tools/toolchain/install_requirements_ubuntu.sh .
|
||||
RUN ./install_requirements_ubuntu.sh
|
||||
COPY ./tools/toolchain/install_requirements*.sh ./
|
||||
RUN ./install_requirements.sh ubuntu
|
||||
|
||||
# Install the toolchain.
|
||||
RUN mkdir scripts
|
||||
|
|
@ -71,7 +71,7 @@ COPY ./tools/toolchain/scripts/arch_base.tmpl \
|
|||
./scripts/
|
||||
RUN ./scripts/generate_arch_files.sh && rm -rf ./build
|
||||
|
||||
# Install performance test for local_cuda
|
||||
# Install performance test for local_cuda.
|
||||
WORKDIR /workspace
|
||||
|
||||
COPY ./tools/docker/scripts/install_basics.sh .
|
||||
|
|
|
|||
|
|
@ -1,17 +1,74 @@
|
|||
ARG TOOLCHAIN=cp2k/toolchain:latest
|
||||
FROM ${TOOLCHAIN}
|
||||
#
|
||||
# This file was created by generate_dockerfiles.py.
|
||||
# Usage: docker build -f ./Dockerfile.test_psmp ../../
|
||||
#
|
||||
|
||||
# author: Ole Schuett
|
||||
FROM ubuntu:20.04
|
||||
|
||||
# Install requirements for the toolchain.
|
||||
WORKDIR /opt/cp2k-toolchain
|
||||
COPY ./tools/toolchain/install_requirements*.sh ./
|
||||
RUN ./install_requirements.sh ubuntu:20.04
|
||||
|
||||
# Install the toolchain.
|
||||
RUN mkdir scripts
|
||||
COPY ./tools/toolchain/scripts/VERSION \
|
||||
./tools/toolchain/scripts/parse_if.py \
|
||||
./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 \
|
||||
--dry-run
|
||||
|
||||
# Dry-run leaves behind config files for the followup install scripts.
|
||||
# This breaks up the lengthy installation into smaller docker 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/arch_base.tmpl \
|
||||
./tools/toolchain/scripts/generate_arch_files.sh \
|
||||
./scripts/
|
||||
RUN ./scripts/generate_arch_files.sh && rm -rf ./build
|
||||
|
||||
# Install regression test for local.psmp.
|
||||
WORKDIR /workspace
|
||||
|
||||
COPY ./scripts/install_basics.sh .
|
||||
COPY ./tools/docker/scripts/install_basics.sh .
|
||||
RUN ./install_basics.sh
|
||||
|
||||
COPY ./scripts/install_regtest.sh .
|
||||
COPY ./tools/docker/scripts/install_regtest.sh .
|
||||
RUN ./install_regtest.sh local psmp
|
||||
|
||||
COPY ./scripts/ci_entrypoint.sh ./scripts/test_regtest.sh ./
|
||||
COPY ./tools/docker/scripts/ci_entrypoint.sh ./tools/docker/scripts/test_regtest.sh ./
|
||||
CMD ["./ci_entrypoint.sh", "./test_regtest.sh", "local", "psmp"]
|
||||
|
||||
#EOF
|
||||
|
|
|
|||
|
|
@ -1,16 +1,24 @@
|
|||
#
|
||||
# This file was created by generate_dockerfiles.py.
|
||||
# Usage: docker build -f ./Dockerfile.test_python ../../
|
||||
#
|
||||
|
||||
FROM ubuntu:20.04
|
||||
|
||||
# author: Ole Schuett
|
||||
|
||||
# Install test for python.
|
||||
WORKDIR /workspace
|
||||
|
||||
COPY ./scripts/install_basics.sh .
|
||||
COPY ./tools/docker/scripts/install_basics.sh .
|
||||
RUN ./install_basics.sh
|
||||
|
||||
COPY ./scripts/install_python.sh .
|
||||
# Some buggy Python packages open utf8 files in text mode.
|
||||
# As workaround we set locale.getpreferredencoding() to utf8.
|
||||
ENV LANG="en_US.UTF-8" LANGUAGE="en_US:en" LC_ALL="en_US.UTF-8"
|
||||
|
||||
COPY ./tools/docker/scripts/install_python.sh .
|
||||
RUN ./install_python.sh
|
||||
|
||||
COPY ./scripts/ci_entrypoint.sh ./scripts/test_python.sh ./
|
||||
COPY ./tools/docker/scripts/ci_entrypoint.sh ./tools/docker/scripts/test_python.sh ./
|
||||
CMD ["./ci_entrypoint.sh", "./test_python.sh"]
|
||||
|
||||
#EOF
|
||||
|
|
|
|||
|
|
@ -1,17 +1,74 @@
|
|||
ARG TOOLCHAIN=cp2k/toolchain:latest
|
||||
FROM ${TOOLCHAIN}
|
||||
#
|
||||
# This file was created by generate_dockerfiles.py.
|
||||
# Usage: docker build -f ./Dockerfile.test_sdbg ../../
|
||||
#
|
||||
|
||||
# author: Ole Schuett
|
||||
FROM ubuntu:20.04
|
||||
|
||||
# Install requirements for the toolchain.
|
||||
WORKDIR /opt/cp2k-toolchain
|
||||
COPY ./tools/toolchain/install_requirements*.sh ./
|
||||
RUN ./install_requirements.sh ubuntu:20.04
|
||||
|
||||
# Install the toolchain.
|
||||
RUN mkdir scripts
|
||||
COPY ./tools/toolchain/scripts/VERSION \
|
||||
./tools/toolchain/scripts/parse_if.py \
|
||||
./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 \
|
||||
--dry-run
|
||||
|
||||
# Dry-run leaves behind config files for the followup install scripts.
|
||||
# This breaks up the lengthy installation into smaller docker 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/arch_base.tmpl \
|
||||
./tools/toolchain/scripts/generate_arch_files.sh \
|
||||
./scripts/
|
||||
RUN ./scripts/generate_arch_files.sh && rm -rf ./build
|
||||
|
||||
# Install regression test for local.sdbg.
|
||||
WORKDIR /workspace
|
||||
|
||||
COPY ./scripts/install_basics.sh .
|
||||
COPY ./tools/docker/scripts/install_basics.sh .
|
||||
RUN ./install_basics.sh
|
||||
|
||||
COPY ./scripts/install_regtest.sh .
|
||||
COPY ./tools/docker/scripts/install_regtest.sh .
|
||||
RUN ./install_regtest.sh local sdbg
|
||||
|
||||
COPY ./scripts/ci_entrypoint.sh ./scripts/test_regtest.sh ./
|
||||
COPY ./tools/docker/scripts/ci_entrypoint.sh ./tools/docker/scripts/test_regtest.sh ./
|
||||
CMD ["./ci_entrypoint.sh", "./test_regtest.sh", "local", "sdbg"]
|
||||
|
||||
#EOF
|
||||
|
|
|
|||
|
|
@ -1,17 +1,74 @@
|
|||
ARG TOOLCHAIN=cp2k/toolchain:latest
|
||||
FROM ${TOOLCHAIN}
|
||||
#
|
||||
# This file was created by generate_dockerfiles.py.
|
||||
# Usage: docker build -f ./Dockerfile.test_ssmp ../../
|
||||
#
|
||||
|
||||
# author: Ole Schuett
|
||||
FROM ubuntu:20.04
|
||||
|
||||
# Install requirements for the toolchain.
|
||||
WORKDIR /opt/cp2k-toolchain
|
||||
COPY ./tools/toolchain/install_requirements*.sh ./
|
||||
RUN ./install_requirements.sh ubuntu:20.04
|
||||
|
||||
# Install the toolchain.
|
||||
RUN mkdir scripts
|
||||
COPY ./tools/toolchain/scripts/VERSION \
|
||||
./tools/toolchain/scripts/parse_if.py \
|
||||
./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 \
|
||||
--dry-run
|
||||
|
||||
# Dry-run leaves behind config files for the followup install scripts.
|
||||
# This breaks up the lengthy installation into smaller docker 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/arch_base.tmpl \
|
||||
./tools/toolchain/scripts/generate_arch_files.sh \
|
||||
./scripts/
|
||||
RUN ./scripts/generate_arch_files.sh && rm -rf ./build
|
||||
|
||||
# Install regression test for local.ssmp.
|
||||
WORKDIR /workspace
|
||||
|
||||
COPY ./scripts/install_basics.sh .
|
||||
COPY ./tools/docker/scripts/install_basics.sh .
|
||||
RUN ./install_basics.sh
|
||||
|
||||
COPY ./scripts/install_regtest.sh .
|
||||
COPY ./tools/docker/scripts/install_regtest.sh .
|
||||
RUN ./install_regtest.sh local ssmp
|
||||
|
||||
COPY ./scripts/ci_entrypoint.sh ./scripts/test_regtest.sh ./
|
||||
COPY ./tools/docker/scripts/ci_entrypoint.sh ./tools/docker/scripts/test_regtest.sh ./
|
||||
CMD ["./ci_entrypoint.sh", "./test_regtest.sh", "local", "ssmp"]
|
||||
|
||||
#EOF
|
||||
|
|
|
|||
|
|
@ -3,7 +3,7 @@
|
|||
# author: Ole Schuett
|
||||
|
||||
from pathlib import Path
|
||||
from typing import Any
|
||||
from typing import Any, Optional
|
||||
import argparse
|
||||
import io
|
||||
|
||||
|
|
@ -13,6 +13,23 @@ def main() -> None:
|
|||
parser.add_argument("--check", action="store_true")
|
||||
args = parser.parse_args()
|
||||
|
||||
for version in "sdbg", "ssmp", "pdbg", "psmp":
|
||||
with OutputFile(f"Dockerfile.test_{version}", args.check) as f:
|
||||
f.write(toolchain_full() + regtest(version))
|
||||
|
||||
with OutputFile(f"Dockerfile.test_openmpi-psmp", args.check) as f:
|
||||
f.write(toolchain_full(mpi_mode="openmpi") + regtest("psmp"))
|
||||
|
||||
with OutputFile(f"Dockerfile.test_fedora-psmp", args.check) as f:
|
||||
f.write(toolchain_full(base_image="fedora:33") + regtest("psmp"))
|
||||
|
||||
with OutputFile(f"Dockerfile.test_minimal", args.check) as f:
|
||||
f.write(toolchain_full() + regtest("sdbg", "minimal"))
|
||||
|
||||
for version in "sdbg", "pdbg":
|
||||
with OutputFile(f"Dockerfile.test_coverage-{version}", args.check) as f:
|
||||
f.write(toolchain_full() + coverage(version))
|
||||
|
||||
for gcc_version in 7, 8, 9, 10:
|
||||
with OutputFile(f"Dockerfile.test_gcc{gcc_version}", args.check) as f:
|
||||
f.write(toolchain_ubuntu_nompi(gcc_version=gcc_version) + regtest("ssmp"))
|
||||
|
|
@ -20,6 +37,9 @@ def main() -> None:
|
|||
with OutputFile("Dockerfile.test_i386", args.check) as f:
|
||||
f.write(toolchain_ubuntu_nompi(base_image="i386/debian:11") + regtest("ssmp"))
|
||||
|
||||
with OutputFile(f"Dockerfile.test_performance", args.check) as f:
|
||||
f.write(toolchain_full() + performance())
|
||||
|
||||
for gpu_ver in "P100", "V100", "A100":
|
||||
with OutputFile(f"Dockerfile.test_cuda_{gpu_ver}", args.check) as f:
|
||||
f.write(toolchain_cuda(gpu_ver=gpu_ver) + regtest("psmp", "local_cuda"))
|
||||
|
|
@ -30,10 +50,41 @@ def main() -> None:
|
|||
with OutputFile(f"Dockerfile.test_performance_cuda_{gpu_ver}", args.check) as f:
|
||||
f.write(toolchain_cuda(gpu_ver=gpu_ver) + performance("local_cuda"))
|
||||
|
||||
for gpu_ver in ["Mi50", "Mi100"]:
|
||||
for gpu_ver in "Mi50", "Mi100":
|
||||
with OutputFile(f"Dockerfile.test_hip_rocm_{gpu_ver}", args.check) as f:
|
||||
f.write(toolchain_hip_rocm(gpu_ver=gpu_ver) + regtest("psmp", "local_hip"))
|
||||
|
||||
for name in "aiida", "ase", "conventions", "gromacs", "i-pi", "manual":
|
||||
with OutputFile(f"Dockerfile.test_{name}", args.check) as f:
|
||||
f.write(toolchain_full() + generic_test(name))
|
||||
|
||||
for name in "doxygen", "python":
|
||||
with OutputFile(f"Dockerfile.test_{name}", args.check) as f:
|
||||
f.write("\nFROM ubuntu:20.04\n" + generic_test(name))
|
||||
|
||||
|
||||
# ======================================================================================
|
||||
def generic_test(name: str) -> str:
|
||||
return fr"""
|
||||
# Install test for {name}.
|
||||
WORKDIR /workspace
|
||||
|
||||
COPY ./tools/docker/scripts/install_basics.sh .
|
||||
RUN ./install_basics.sh
|
||||
|
||||
# Some buggy Python packages open utf8 files in text mode.
|
||||
# As workaround we set locale.getpreferredencoding() to utf8.
|
||||
ENV LANG="en_US.UTF-8" LANGUAGE="en_US:en" LC_ALL="en_US.UTF-8"
|
||||
|
||||
COPY ./tools/docker/scripts/install_{name}.sh .
|
||||
RUN ./install_{name}.sh
|
||||
|
||||
COPY ./tools/docker/scripts/ci_entrypoint.sh ./tools/docker/scripts/test_{name}.sh ./
|
||||
CMD ["./ci_entrypoint.sh", "./test_{name}.sh"]
|
||||
|
||||
#EOF
|
||||
"""
|
||||
|
||||
|
||||
# ======================================================================================
|
||||
def regtest(version: str, arch: str = "local") -> str:
|
||||
|
|
@ -55,9 +106,9 @@ CMD ["./ci_entrypoint.sh", "./test_regtest.sh", "{arch}", "{version}"]
|
|||
|
||||
|
||||
# ======================================================================================
|
||||
def performance(arch: str) -> str:
|
||||
def performance(arch: str = "local") -> str:
|
||||
return fr"""
|
||||
# Install performance test for {arch}
|
||||
# Install performance test for {arch}.
|
||||
WORKDIR /workspace
|
||||
|
||||
COPY ./tools/docker/scripts/install_basics.sh .
|
||||
|
|
@ -77,6 +128,35 @@ CMD ["./ci_entrypoint.sh", "./test_performance.sh", "{arch}"]
|
|||
"""
|
||||
|
||||
|
||||
# ======================================================================================
|
||||
def coverage(version: str) -> str:
|
||||
return fr"""
|
||||
# Install coverage test for {version}.
|
||||
WORKDIR /workspace
|
||||
|
||||
COPY ./tools/docker/scripts/install_basics.sh .
|
||||
RUN ./install_basics.sh
|
||||
|
||||
COPY ./tools/docker/scripts/install_coverage.sh .
|
||||
RUN ./install_coverage.sh
|
||||
|
||||
COPY ./tools/docker/scripts/install_regtest.sh .
|
||||
RUN ./install_regtest.sh local_coverage {version}
|
||||
|
||||
COPY ./tools/docker/scripts/ci_entrypoint.sh ./tools/docker/scripts/test_coverage.sh ./
|
||||
CMD ["./ci_entrypoint.sh", "./test_coverage.sh", "{version}"]
|
||||
|
||||
#EOF
|
||||
"""
|
||||
|
||||
|
||||
# ======================================================================================
|
||||
def toolchain_full(base_image: str = "ubuntu:20.04", mpi_mode: str = "mpich") -> str:
|
||||
return f"\nFROM {base_image}\n\n" + install_toolchain(
|
||||
base_image=base_image, install_all=None, mpi_mode=mpi_mode
|
||||
)
|
||||
|
||||
|
||||
# ======================================================================================
|
||||
def toolchain_ubuntu_nompi(
|
||||
base_image: str = "ubuntu:20.04", gcc_version: int = 10
|
||||
|
|
@ -103,6 +183,7 @@ RUN ln -sf gcc-{gcc_version} /usr/bin/gcc && \
|
|||
ln -sf gfortran-{gcc_version} /usr/bin/gfortran
|
||||
|
||||
""" + install_toolchain(
|
||||
base_image="ubuntu",
|
||||
mpi_mode="no",
|
||||
with_gcc="system",
|
||||
with_cmake="system",
|
||||
|
|
@ -133,7 +214,7 @@ RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
|
|||
&& rm -rf /var/lib/apt/lists/*
|
||||
|
||||
""" + install_toolchain(
|
||||
mpi_mode="mpich", enable_cuda="yes", gpu_ver=gpu_ver
|
||||
base_image="ubuntu", mpi_mode="mpich", enable_cuda="yes", gpu_ver=gpu_ver
|
||||
)
|
||||
|
||||
|
||||
|
|
@ -232,7 +313,7 @@ ENV HIP_PLATFORM nvidia
|
|||
RUN hipconfig
|
||||
|
||||
""" + install_toolchain(
|
||||
mpi_mode="mpich", enable_hip="yes", gpu_ver=gpu_ver
|
||||
base_image="ubuntu", mpi_mode="mpich", enable_hip="yes", gpu_ver=gpu_ver
|
||||
)
|
||||
|
||||
|
||||
|
|
@ -257,19 +338,26 @@ ENV HIP_PLATFORM amd
|
|||
RUN hipconfig
|
||||
|
||||
""" + install_toolchain(
|
||||
mpi_mode="mpich", enable_hip="yes", gpu_ver=gpu_ver
|
||||
base_image="ubuntu", mpi_mode="mpich", enable_hip="yes", gpu_ver=gpu_ver
|
||||
)
|
||||
|
||||
|
||||
# ======================================================================================
|
||||
def install_toolchain(**kwargs: str) -> str:
|
||||
kwargs_underscore = {k.replace("_", "-"): v for k, v in kwargs.items()}
|
||||
install_args = "\n".join(f" --{k}={v} \\" for k, v in kwargs_underscore.items())
|
||||
def install_toolchain(base_image: str, **kwargs: Optional[str]) -> str:
|
||||
install_args = []
|
||||
for k, v in kwargs.items():
|
||||
k = k.replace("_", "-")
|
||||
if v is not None:
|
||||
install_args.append(f" --{k}={v} \\")
|
||||
else:
|
||||
install_args.append(f" --{k} \\")
|
||||
install_args_str = "\n".join(install_args)
|
||||
|
||||
return fr"""
|
||||
# Install requirements for the toolchain.
|
||||
WORKDIR /opt/cp2k-toolchain
|
||||
COPY ./tools/toolchain/install_requirements_ubuntu.sh .
|
||||
RUN ./install_requirements_ubuntu.sh
|
||||
COPY ./tools/toolchain/install_requirements*.sh ./
|
||||
RUN ./install_requirements.sh {base_image}
|
||||
|
||||
# Install the toolchain.
|
||||
RUN mkdir scripts
|
||||
|
|
@ -282,7 +370,7 @@ COPY ./tools/toolchain/scripts/VERSION \
|
|||
./scripts/
|
||||
COPY ./tools/toolchain/install_cp2k_toolchain.sh .
|
||||
RUN ./install_cp2k_toolchain.sh \
|
||||
{install_args}
|
||||
{install_args_str}
|
||||
--dry-run
|
||||
|
||||
# Dry-run leaves behind config files for the followup install scripts.
|
||||
|
|
|
|||
Loading…
Add table
Add a link
Reference in a new issue