Docker: Install CP2K from docker build context

cp2k · Feb 13, 2022 · 2f1076a · 2f1076a
1 parent 219eac8
commit 2f1076a
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diff --git a/tools/docker/Dockerfile.test_cuda_A100 b/tools/docker/Dockerfile.test_cuda_A100
@@ -72,15 +72,30 @@ COPY ./tools/toolchain/scripts/arch_base.tmpl \
 RUN ./scripts/generate_arch_files.sh && rm -rf ./build
 
 # Install regression test for local_cuda.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_cuda psmp
-
-COPY ./tools/docker/scripts/ci_entrypoint.sh ./tools/docker/scripts/test_regtest.sh ./
-CMD ["./ci_entrypoint.sh", "./test_regtest.sh", "local_cuda", "psmp"]
+WORKDIR /workspace/cp2k
+
+# Build binary in a separate layer to improve cache hit rate.
+ARG GIT_COMMIT_SHA
+COPY ./Makefile .
+COPY ./src ./src
+COPY ./exts ./exts
+COPY ./tools/build_utils ./tools/build_utils
+RUN /bin/bash -c "mkdir -p arch \
+ && ln -vs /opt/cp2k-toolchain/install/arch/local_cuda.psmp ./arch/ \
+ && echo 'Compiling cp2k...' \
+ && if [ -n \"${GIT_COMMIT_SHA}\" ] ; then echo "git:\${GIT_COMMIT_SHA::7}" > REVISION; fi \
+ && source /opt/cp2k-toolchain/install/setup \
+ && ( make -j ARCH=local_cuda VERSION=psmp &> /dev/null || true )"
+
+# Run regression tests.
+ARG TESTOPTS
+COPY ./data ./data
+COPY ./tests ./tests
+COPY ./tools/regtesting ./tools/regtesting
+COPY ./tools/docker/scripts/test_regtest.sh ./
+RUN TESTOPTS="${TESTOPTS}" ./test_regtest.sh 'local_cuda' 'psmp' 2>&1 | tee report.txt
+
+# Output the report if the image was pulled from the build cache.
+CMD cat $(find ./report.txt -mmin +3)
 
 #EOF
diff --git a/tools/docker/Dockerfile.test_cuda_P100 b/tools/docker/Dockerfile.test_cuda_P100
@@ -72,15 +72,30 @@ COPY ./tools/toolchain/scripts/arch_base.tmpl \
 RUN ./scripts/generate_arch_files.sh && rm -rf ./build
 
 # Install regression test for local_cuda.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_cuda psmp
-
-COPY ./tools/docker/scripts/ci_entrypoint.sh ./tools/docker/scripts/test_regtest.sh ./
-CMD ["./ci_entrypoint.sh", "./test_regtest.sh", "local_cuda", "psmp"]
+WORKDIR /workspace/cp2k
+
+# Build binary in a separate layer to improve cache hit rate.
+ARG GIT_COMMIT_SHA
+COPY ./Makefile .
+COPY ./src ./src
+COPY ./exts ./exts
+COPY ./tools/build_utils ./tools/build_utils
+RUN /bin/bash -c "mkdir -p arch \
+ && ln -vs /opt/cp2k-toolchain/install/arch/local_cuda.psmp ./arch/ \
+ && echo 'Compiling cp2k...' \
+ && if [ -n \"${GIT_COMMIT_SHA}\" ] ; then echo "git:\${GIT_COMMIT_SHA::7}" > REVISION; fi \
+ && source /opt/cp2k-toolchain/install/setup \
+ && ( make -j ARCH=local_cuda VERSION=psmp &> /dev/null || true )"
+
+# Run regression tests.
+ARG TESTOPTS
+COPY ./data ./data
+COPY ./tests ./tests
+COPY ./tools/regtesting ./tools/regtesting
+COPY ./tools/docker/scripts/test_regtest.sh ./
+RUN TESTOPTS="${TESTOPTS}" ./test_regtest.sh 'local_cuda' 'psmp' 2>&1 | tee report.txt
+
+# Output the report if the image was pulled from the build cache.
+CMD cat $(find ./report.txt -mmin +3)
 
 #EOF
diff --git a/tools/docker/Dockerfile.test_cuda_V100 b/tools/docker/Dockerfile.test_cuda_V100
@@ -72,15 +72,30 @@ COPY ./tools/toolchain/scripts/arch_base.tmpl \
 RUN ./scripts/generate_arch_files.sh && rm -rf ./build
 
 # Install regression test for local_cuda.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_cuda psmp
-
-COPY ./tools/docker/scripts/ci_entrypoint.sh ./tools/docker/scripts/test_regtest.sh ./
-CMD ["./ci_entrypoint.sh", "./test_regtest.sh", "local_cuda", "psmp"]
+WORKDIR /workspace/cp2k
+
+# Build binary in a separate layer to improve cache hit rate.
+ARG GIT_COMMIT_SHA
+COPY ./Makefile .
+COPY ./src ./src
+COPY ./exts ./exts
+COPY ./tools/build_utils ./tools/build_utils
+RUN /bin/bash -c "mkdir -p arch \
+ && ln -vs /opt/cp2k-toolchain/install/arch/local_cuda.psmp ./arch/ \
+ && echo 'Compiling cp2k...' \
+ && if [ -n \"${GIT_COMMIT_SHA}\" ] ; then echo "git:\${GIT_COMMIT_SHA::7}" > REVISION; fi \
+ && source /opt/cp2k-toolchain/install/setup \
+ && ( make -j ARCH=local_cuda VERSION=psmp &> /dev/null || true )"
+
+# Run regression tests.
+ARG TESTOPTS
+COPY ./data ./data
+COPY ./tests ./tests
+COPY ./tools/regtesting ./tools/regtesting
+COPY ./tools/docker/scripts/test_regtest.sh ./
+RUN TESTOPTS="${TESTOPTS}" ./test_regtest.sh 'local_cuda' 'psmp' 2>&1 | tee report.txt
+
+# Output the report if the image was pulled from the build cache.
+CMD cat $(find ./report.txt -mmin +3)
 
 #EOF
diff --git a/tools/docker/Dockerfile.test_fedora-psmp b/tools/docker/Dockerfile.test_fedora-psmp
@@ -60,15 +60,30 @@ COPY ./tools/toolchain/scripts/arch_base.tmpl \
 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"]
+WORKDIR /workspace/cp2k
+
+# Build binary in a separate layer to improve cache hit rate.
+ARG GIT_COMMIT_SHA
+COPY ./Makefile .
+COPY ./src ./src
+COPY ./exts ./exts
+COPY ./tools/build_utils ./tools/build_utils
+RUN /bin/bash -c "mkdir -p arch \
+ && ln -vs /opt/cp2k-toolchain/install/arch/local.psmp ./arch/ \
+ && echo 'Compiling cp2k...' \
+ && if [ -n \"${GIT_COMMIT_SHA}\" ] ; then echo "git:\${GIT_COMMIT_SHA::7}" > REVISION; fi \
+ && source /opt/cp2k-toolchain/install/setup \
+ && ( make -j ARCH=local VERSION=psmp &> /dev/null || true )"
+
+# Run regression tests.
+ARG TESTOPTS
+COPY ./data ./data
+COPY ./tests ./tests
+COPY ./tools/regtesting ./tools/regtesting
+COPY ./tools/docker/scripts/test_regtest.sh ./
+RUN TESTOPTS="${TESTOPTS}" ./test_regtest.sh 'local' 'psmp' 2>&1 | tee report.txt
+
+# Output the report if the image was pulled from the build cache.
+CMD cat $(find ./report.txt -mmin +3)
 
 #EOF
diff --git a/tools/docker/Dockerfile.test_gcc10 b/tools/docker/Dockerfile.test_gcc10
@@ -86,15 +86,30 @@ COPY ./tools/toolchain/scripts/arch_base.tmpl \
 RUN ./scripts/generate_arch_files.sh && rm -rf ./build
 
 # Install regression test for local.ssmp.
-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 ssmp
-
-COPY ./tools/docker/scripts/ci_entrypoint.sh ./tools/docker/scripts/test_regtest.sh ./
-CMD ["./ci_entrypoint.sh", "./test_regtest.sh", "local", "ssmp"]
+WORKDIR /workspace/cp2k
+
+# Build binary in a separate layer to improve cache hit rate.
+ARG GIT_COMMIT_SHA
+COPY ./Makefile .
+COPY ./src ./src
+COPY ./exts ./exts
+COPY ./tools/build_utils ./tools/build_utils
+RUN /bin/bash -c "mkdir -p arch \
+ && ln -vs /opt/cp2k-toolchain/install/arch/local.ssmp ./arch/ \
+ && echo 'Compiling cp2k...' \
+ && if [ -n \"${GIT_COMMIT_SHA}\" ] ; then echo "git:\${GIT_COMMIT_SHA::7}" > REVISION; fi \
+ && source /opt/cp2k-toolchain/install/setup \
+ && ( make -j ARCH=local VERSION=ssmp &> /dev/null || true )"
+
+# Run regression tests.
+ARG TESTOPTS
+COPY ./data ./data
+COPY ./tests ./tests
+COPY ./tools/regtesting ./tools/regtesting
+COPY ./tools/docker/scripts/test_regtest.sh ./
+RUN TESTOPTS="${TESTOPTS}" ./test_regtest.sh 'local' 'ssmp' 2>&1 | tee report.txt
+
+# Output the report if the image was pulled from the build cache.
+CMD cat $(find ./report.txt -mmin +3)
 
 #EOF
diff --git a/tools/docker/Dockerfile.test_gcc7 b/tools/docker/Dockerfile.test_gcc7
@@ -86,15 +86,30 @@ COPY ./tools/toolchain/scripts/arch_base.tmpl \
 RUN ./scripts/generate_arch_files.sh && rm -rf ./build
 
 # Install regression test for local.ssmp.
-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 ssmp
-
-COPY ./tools/docker/scripts/ci_entrypoint.sh ./tools/docker/scripts/test_regtest.sh ./
-CMD ["./ci_entrypoint.sh", "./test_regtest.sh", "local", "ssmp"]
+WORKDIR /workspace/cp2k
+
+# Build binary in a separate layer to improve cache hit rate.
+ARG GIT_COMMIT_SHA
+COPY ./Makefile .
+COPY ./src ./src
+COPY ./exts ./exts
+COPY ./tools/build_utils ./tools/build_utils
+RUN /bin/bash -c "mkdir -p arch \
+ && ln -vs /opt/cp2k-toolchain/install/arch/local.ssmp ./arch/ \
+ && echo 'Compiling cp2k...' \
+ && if [ -n \"${GIT_COMMIT_SHA}\" ] ; then echo "git:\${GIT_COMMIT_SHA::7}" > REVISION; fi \
+ && source /opt/cp2k-toolchain/install/setup \
+ && ( make -j ARCH=local VERSION=ssmp &> /dev/null || true )"
+
+# Run regression tests.
+ARG TESTOPTS
+COPY ./data ./data
+COPY ./tests ./tests
+COPY ./tools/regtesting ./tools/regtesting
+COPY ./tools/docker/scripts/test_regtest.sh ./
+RUN TESTOPTS="${TESTOPTS}" ./test_regtest.sh 'local' 'ssmp' 2>&1 | tee report.txt
+
+# Output the report if the image was pulled from the build cache.
+CMD cat $(find ./report.txt -mmin +3)
 
 #EOF
diff --git a/tools/docker/Dockerfile.test_gcc8 b/tools/docker/Dockerfile.test_gcc8
@@ -86,15 +86,30 @@ COPY ./tools/toolchain/scripts/arch_base.tmpl \
 RUN ./scripts/generate_arch_files.sh && rm -rf ./build
 
 # Install regression test for local.ssmp.
-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 ssmp
-
-COPY ./tools/docker/scripts/ci_entrypoint.sh ./tools/docker/scripts/test_regtest.sh ./
-CMD ["./ci_entrypoint.sh", "./test_regtest.sh", "local", "ssmp"]
+WORKDIR /workspace/cp2k
+
+# Build binary in a separate layer to improve cache hit rate.
+ARG GIT_COMMIT_SHA
+COPY ./Makefile .
+COPY ./src ./src
+COPY ./exts ./exts
+COPY ./tools/build_utils ./tools/build_utils
+RUN /bin/bash -c "mkdir -p arch \
+ && ln -vs /opt/cp2k-toolchain/install/arch/local.ssmp ./arch/ \
+ && echo 'Compiling cp2k...' \
+ && if [ -n \"${GIT_COMMIT_SHA}\" ] ; then echo "git:\${GIT_COMMIT_SHA::7}" > REVISION; fi \
+ && source /opt/cp2k-toolchain/install/setup \
+ && ( make -j ARCH=local VERSION=ssmp &> /dev/null || true )"
+
+# Run regression tests.
+ARG TESTOPTS
+COPY ./data ./data
+COPY ./tests ./tests
+COPY ./tools/regtesting ./tools/regtesting
+COPY ./tools/docker/scripts/test_regtest.sh ./
+RUN TESTOPTS="${TESTOPTS}" ./test_regtest.sh 'local' 'ssmp' 2>&1 | tee report.txt
+
+# Output the report if the image was pulled from the build cache.
+CMD cat $(find ./report.txt -mmin +3)
 
 #EOF
diff --git a/tools/docker/Dockerfile.test_gcc9 b/tools/docker/Dockerfile.test_gcc9
@@ -86,15 +86,30 @@ COPY ./tools/toolchain/scripts/arch_base.tmpl \
 RUN ./scripts/generate_arch_files.sh && rm -rf ./build
 
 # Install regression test for local.ssmp.
-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 ssmp
-
-COPY ./tools/docker/scripts/ci_entrypoint.sh ./tools/docker/scripts/test_regtest.sh ./
-CMD ["./ci_entrypoint.sh", "./test_regtest.sh", "local", "ssmp"]
+WORKDIR /workspace/cp2k
+
+# Build binary in a separate layer to improve cache hit rate.
+ARG GIT_COMMIT_SHA
+COPY ./Makefile .
+COPY ./src ./src
+COPY ./exts ./exts
+COPY ./tools/build_utils ./tools/build_utils
+RUN /bin/bash -c "mkdir -p arch \
+ && ln -vs /opt/cp2k-toolchain/install/arch/local.ssmp ./arch/ \
+ && echo 'Compiling cp2k...' \
+ && if [ -n \"${GIT_COMMIT_SHA}\" ] ; then echo "git:\${GIT_COMMIT_SHA::7}" > REVISION; fi \
+ && source /opt/cp2k-toolchain/install/setup \
+ && ( make -j ARCH=local VERSION=ssmp &> /dev/null || true )"
+
+# Run regression tests.
+ARG TESTOPTS
+COPY ./data ./data
+COPY ./tests ./tests
+COPY ./tools/regtesting ./tools/regtesting
+COPY ./tools/docker/scripts/test_regtest.sh ./
+RUN TESTOPTS="${TESTOPTS}" ./test_regtest.sh 'local' 'ssmp' 2>&1 | tee report.txt
+
+# Output the report if the image was pulled from the build cache.
+CMD cat $(find ./report.txt -mmin +3)
 
 #EOF
diff --git a/tools/docker/Dockerfile.test_hip_cuda_A100 b/tools/docker/Dockerfile.test_hip_cuda_A100
@@ -150,15 +150,30 @@ COPY ./tools/toolchain/scripts/arch_base.tmpl \
 RUN ./scripts/generate_arch_files.sh && rm -rf ./build
 
 # Install regression test for local_hip.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_hip psmp
-
-COPY ./tools/docker/scripts/ci_entrypoint.sh ./tools/docker/scripts/test_regtest.sh ./
-CMD ["./ci_entrypoint.sh", "./test_regtest.sh", "local_hip", "psmp"]
+WORKDIR /workspace/cp2k
+
+# Build binary in a separate layer to improve cache hit rate.
+ARG GIT_COMMIT_SHA
+COPY ./Makefile .
+COPY ./src ./src
+COPY ./exts ./exts
+COPY ./tools/build_utils ./tools/build_utils
+RUN /bin/bash -c "mkdir -p arch \
+ && ln -vs /opt/cp2k-toolchain/install/arch/local_hip.psmp ./arch/ \
+ && echo 'Compiling cp2k...' \
+ && if [ -n \"${GIT_COMMIT_SHA}\" ] ; then echo "git:\${GIT_COMMIT_SHA::7}" > REVISION; fi \
+ && source /opt/cp2k-toolchain/install/setup \
+ && ( make -j ARCH=local_hip VERSION=psmp &> /dev/null || true )"
+
+# Run regression tests.
+ARG TESTOPTS
+COPY ./data ./data
+COPY ./tests ./tests
+COPY ./tools/regtesting ./tools/regtesting
+COPY ./tools/docker/scripts/test_regtest.sh ./
+RUN TESTOPTS="${TESTOPTS}" ./test_regtest.sh 'local_hip' 'psmp' 2>&1 | tee report.txt
+
+# Output the report if the image was pulled from the build cache.
+CMD cat $(find ./report.txt -mmin +3)
 
 #EOF