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Docker: Avoid compiling cp2k twice
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@oschuett
oschuett committed Aug 30, 2023
1 parent 2e356e7 commit f67586f
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Showing 43 changed files with 49 additions and 246 deletions.
7 changes: 1 addition & 6 deletions tools/docker/Dockerfile.build_hip_rocm_Mi100
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Original file line number Diff line number Diff line change
Expand Up @@ -83,12 +83,7 @@ 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...' && \
source /opt/cp2k-toolchain/install/setup && \
( make -j ARCH=local_hip VERSION=psmp &> /dev/null || true ) && \
rm -rf lib obj && \
( [ ! -f ./exe/local_hip/cp2k.psmp ] || ldd ./exe/local_hip/cp2k.psmp | grep -q libmpi )"
ln -vs /opt/cp2k-toolchain/install/arch/local_hip.psmp ./arch/"
COPY ./data ./data
COPY ./tests ./tests
COPY ./tools/regtesting ./tools/regtesting
Expand Down
7 changes: 1 addition & 6 deletions tools/docker/Dockerfile.build_hip_rocm_Mi50
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Original file line number Diff line number Diff line change
Expand Up @@ -83,12 +83,7 @@ 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...' && \
source /opt/cp2k-toolchain/install/setup && \
( make -j ARCH=local_hip VERSION=psmp &> /dev/null || true ) && \
rm -rf lib obj && \
( [ ! -f ./exe/local_hip/cp2k.psmp ] || ldd ./exe/local_hip/cp2k.psmp | grep -q libmpi )"
ln -vs /opt/cp2k-toolchain/install/arch/local_hip.psmp ./arch/"
COPY ./data ./data
COPY ./tests ./tests
COPY ./tools/regtesting ./tools/regtesting
Expand Down
6 changes: 1 addition & 5 deletions tools/docker/Dockerfile.test_aiida
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Original file line number Diff line number Diff line change
Expand Up @@ -67,11 +67,7 @@ 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.sdbg ./arch/ && \
echo 'Compiling cp2k...' && \
source /opt/cp2k-toolchain/install/setup && \
( make -j ARCH=local VERSION=sdbg &> /dev/null || true ) && \
rm -rf lib obj"
ln -vs /opt/cp2k-toolchain/install/arch/local.sdbg ./arch/"
COPY ./data ./data
COPY ./tests ./tests
COPY ./tools/regtesting ./tools/regtesting
Expand Down
7 changes: 1 addition & 6 deletions tools/docker/Dockerfile.test_arm64-psmp
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Original file line number Diff line number Diff line change
Expand Up @@ -69,12 +69,7 @@ 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...' && \
source /opt/cp2k-toolchain/install/setup && \
( make -j ARCH=local VERSION=psmp &> /dev/null || true ) && \
rm -rf lib obj && \
( [ ! -f ./exe/local/cp2k.psmp ] || ldd ./exe/local/cp2k.psmp | grep -q libmpi )"
ln -vs /opt/cp2k-toolchain/install/arch/local.psmp ./arch/"
COPY ./data ./data
COPY ./tests ./tests
COPY ./tools/regtesting ./tools/regtesting
Expand Down
7 changes: 1 addition & 6 deletions tools/docker/Dockerfile.test_asan-psmp
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Original file line number Diff line number Diff line change
Expand Up @@ -67,12 +67,7 @@ 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_asan.psmp ./arch/ && \
echo 'Compiling cp2k...' && \
source /opt/cp2k-toolchain/install/setup && \
( make -j ARCH=local_asan VERSION=psmp &> /dev/null || true ) && \
rm -rf lib obj && \
( [ ! -f ./exe/local_asan/cp2k.psmp ] || ldd ./exe/local_asan/cp2k.psmp | grep -q libmpi )"
ln -vs /opt/cp2k-toolchain/install/arch/local_asan.psmp ./arch/"
COPY ./data ./data
COPY ./tests ./tests
COPY ./tools/regtesting ./tools/regtesting
Expand Down
6 changes: 1 addition & 5 deletions tools/docker/Dockerfile.test_asan-ssmp
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Original file line number Diff line number Diff line change
Expand Up @@ -67,11 +67,7 @@ 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_asan.ssmp ./arch/ && \
echo 'Compiling cp2k...' && \
source /opt/cp2k-toolchain/install/setup && \
( make -j ARCH=local_asan VERSION=ssmp &> /dev/null || true ) && \
rm -rf lib obj"
ln -vs /opt/cp2k-toolchain/install/arch/local_asan.ssmp ./arch/"
COPY ./data ./data
COPY ./tests ./tests
COPY ./tools/regtesting ./tools/regtesting
Expand Down
6 changes: 1 addition & 5 deletions tools/docker/Dockerfile.test_ase
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Original file line number Diff line number Diff line change
Expand Up @@ -67,11 +67,7 @@ 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.sdbg ./arch/ && \
echo 'Compiling cp2k...' && \
source /opt/cp2k-toolchain/install/setup && \
( make -j ARCH=local VERSION=sdbg &> /dev/null || true ) && \
rm -rf lib obj"
ln -vs /opt/cp2k-toolchain/install/arch/local.sdbg ./arch/"
COPY ./data ./data
COPY ./tests ./tests
COPY ./tools/regtesting ./tools/regtesting
Expand Down
7 changes: 1 addition & 6 deletions tools/docker/Dockerfile.test_coverage-pdbg
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Original file line number Diff line number Diff line change
Expand Up @@ -69,12 +69,7 @@ COPY ./tools/build_utils ./tools/build_utils
RUN /bin/bash -c " \
if [ -n "${GIT_COMMIT_SHA}" ] ; then echo "git:\${GIT_COMMIT_SHA::7}" > REVISION; fi && \
mkdir -p arch && \
ln -vs /opt/cp2k-toolchain/install/arch/local_coverage.pdbg ./arch/ && \
echo 'Compiling cp2k...' && \
source /opt/cp2k-toolchain/install/setup && \
( make -j ARCH=local_coverage VERSION=pdbg &> /dev/null || true ) && \
rm -rf lib obj && \
( [ ! -f ./exe/local_coverage/cp2k.pdbg ] || ldd ./exe/local_coverage/cp2k.pdbg | grep -q libmpi )"
ln -vs /opt/cp2k-toolchain/install/arch/local_coverage.pdbg ./arch/"
COPY ./data ./data
COPY ./tests ./tests
COPY ./tools/regtesting ./tools/regtesting
Expand Down
6 changes: 1 addition & 5 deletions tools/docker/Dockerfile.test_coverage-sdbg
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Original file line number Diff line number Diff line change
Expand Up @@ -69,11 +69,7 @@ COPY ./tools/build_utils ./tools/build_utils
RUN /bin/bash -c " \
if [ -n "${GIT_COMMIT_SHA}" ] ; then echo "git:\${GIT_COMMIT_SHA::7}" > REVISION; fi && \
mkdir -p arch && \
ln -vs /opt/cp2k-toolchain/install/arch/local_coverage.sdbg ./arch/ && \
echo 'Compiling cp2k...' && \
source /opt/cp2k-toolchain/install/setup && \
( make -j ARCH=local_coverage VERSION=sdbg &> /dev/null || true ) && \
rm -rf lib obj"
ln -vs /opt/cp2k-toolchain/install/arch/local_coverage.sdbg ./arch/"
COPY ./data ./data
COPY ./tests ./tests
COPY ./tools/regtesting ./tools/regtesting
Expand Down
7 changes: 1 addition & 6 deletions tools/docker/Dockerfile.test_cuda_A100
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Original file line number Diff line number Diff line change
Expand Up @@ -83,12 +83,7 @@ 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...' && \
source /opt/cp2k-toolchain/install/setup && \
( make -j ARCH=local_cuda VERSION=psmp &> /dev/null || true ) && \
rm -rf lib obj && \
( [ ! -f ./exe/local_cuda/cp2k.psmp ] || ldd ./exe/local_cuda/cp2k.psmp | grep -q libmpi )"
ln -vs /opt/cp2k-toolchain/install/arch/local_cuda.psmp ./arch/"
COPY ./data ./data
COPY ./tests ./tests
COPY ./tools/regtesting ./tools/regtesting
Expand Down
7 changes: 1 addition & 6 deletions tools/docker/Dockerfile.test_cuda_P100
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Original file line number Diff line number Diff line change
Expand Up @@ -83,12 +83,7 @@ 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...' && \
source /opt/cp2k-toolchain/install/setup && \
( make -j ARCH=local_cuda VERSION=psmp &> /dev/null || true ) && \
rm -rf lib obj && \
( [ ! -f ./exe/local_cuda/cp2k.psmp ] || ldd ./exe/local_cuda/cp2k.psmp | grep -q libmpi )"
ln -vs /opt/cp2k-toolchain/install/arch/local_cuda.psmp ./arch/"
COPY ./data ./data
COPY ./tests ./tests
COPY ./tools/regtesting ./tools/regtesting
Expand Down
7 changes: 1 addition & 6 deletions tools/docker/Dockerfile.test_cuda_V100
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Original file line number Diff line number Diff line change
Expand Up @@ -83,12 +83,7 @@ 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...' && \
source /opt/cp2k-toolchain/install/setup && \
( make -j ARCH=local_cuda VERSION=psmp &> /dev/null || true ) && \
rm -rf lib obj && \
( [ ! -f ./exe/local_cuda/cp2k.psmp ] || ldd ./exe/local_cuda/cp2k.psmp | grep -q libmpi )"
ln -vs /opt/cp2k-toolchain/install/arch/local_cuda.psmp ./arch/"
COPY ./data ./data
COPY ./tests ./tests
COPY ./tools/regtesting ./tools/regtesting
Expand Down
7 changes: 1 addition & 6 deletions tools/docker/Dockerfile.test_fedora-psmp
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Original file line number Diff line number Diff line change
Expand Up @@ -67,12 +67,7 @@ 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...' && \
source /opt/cp2k-toolchain/install/setup && \
( make -j ARCH=local VERSION=psmp &> /dev/null || true ) && \
rm -rf lib obj && \
( [ ! -f ./exe/local/cp2k.psmp ] || ldd ./exe/local/cp2k.psmp | grep -q libmpi )"
ln -vs /opt/cp2k-toolchain/install/arch/local.psmp ./arch/"
COPY ./data ./data
COPY ./tests ./tests
COPY ./tools/regtesting ./tools/regtesting
Expand Down
6 changes: 1 addition & 5 deletions tools/docker/Dockerfile.test_gcc10
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Original file line number Diff line number Diff line change
Expand Up @@ -96,11 +96,7 @@ 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...' && \
source /opt/cp2k-toolchain/install/setup && \
( make -j ARCH=local VERSION=ssmp &> /dev/null || true ) && \
rm -rf lib obj"
ln -vs /opt/cp2k-toolchain/install/arch/local.ssmp ./arch/"
COPY ./data ./data
COPY ./tests ./tests
COPY ./tools/regtesting ./tools/regtesting
Expand Down
6 changes: 1 addition & 5 deletions tools/docker/Dockerfile.test_gcc11
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Original file line number Diff line number Diff line change
Expand Up @@ -96,11 +96,7 @@ 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...' && \
source /opt/cp2k-toolchain/install/setup && \
( make -j ARCH=local VERSION=ssmp &> /dev/null || true ) && \
rm -rf lib obj"
ln -vs /opt/cp2k-toolchain/install/arch/local.ssmp ./arch/"
COPY ./data ./data
COPY ./tests ./tests
COPY ./tools/regtesting ./tools/regtesting
Expand Down
6 changes: 1 addition & 5 deletions tools/docker/Dockerfile.test_gcc12
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Original file line number Diff line number Diff line change
Expand Up @@ -96,11 +96,7 @@ 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...' && \
source /opt/cp2k-toolchain/install/setup && \
( make -j ARCH=local VERSION=ssmp &> /dev/null || true ) && \
rm -rf lib obj"
ln -vs /opt/cp2k-toolchain/install/arch/local.ssmp ./arch/"
COPY ./data ./data
COPY ./tests ./tests
COPY ./tools/regtesting ./tools/regtesting
Expand Down
6 changes: 1 addition & 5 deletions tools/docker/Dockerfile.test_gcc8
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Original file line number Diff line number Diff line change
Expand Up @@ -94,11 +94,7 @@ 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...' && \
source /opt/cp2k-toolchain/install/setup && \
( make -j ARCH=local VERSION=ssmp &> /dev/null || true ) && \
rm -rf lib obj"
ln -vs /opt/cp2k-toolchain/install/arch/local.ssmp ./arch/"
COPY ./data ./data
COPY ./tests ./tests
COPY ./tools/regtesting ./tools/regtesting
Expand Down
6 changes: 1 addition & 5 deletions tools/docker/Dockerfile.test_gcc9
View file
Original file line number Diff line number Diff line change
Expand Up @@ -96,11 +96,7 @@ 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...' && \
source /opt/cp2k-toolchain/install/setup && \
( make -j ARCH=local VERSION=ssmp &> /dev/null || true ) && \
rm -rf lib obj"
ln -vs /opt/cp2k-toolchain/install/arch/local.ssmp ./arch/"
COPY ./data ./data
COPY ./tests ./tests
COPY ./tools/regtesting ./tools/regtesting
Expand Down
7 changes: 1 addition & 6 deletions tools/docker/Dockerfile.test_generic_pdbg
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Original file line number Diff line number Diff line change
Expand Up @@ -68,12 +68,7 @@ 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.pdbg ./arch/ && \
echo 'Compiling cp2k...' && \
source /opt/cp2k-toolchain/install/setup && \
( make -j ARCH=local VERSION=pdbg &> /dev/null || true ) && \
rm -rf lib obj && \
( [ ! -f ./exe/local/cp2k.pdbg ] || ldd ./exe/local/cp2k.pdbg | grep -q libmpi )"
ln -vs /opt/cp2k-toolchain/install/arch/local.pdbg ./arch/"
COPY ./data ./data
COPY ./tests ./tests
COPY ./tools/regtesting ./tools/regtesting
Expand Down
7 changes: 1 addition & 6 deletions tools/docker/Dockerfile.test_generic_psmp
View file
Original file line number Diff line number Diff line change
Expand Up @@ -68,12 +68,7 @@ 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...' && \
source /opt/cp2k-toolchain/install/setup && \
( make -j ARCH=local VERSION=psmp &> /dev/null || true ) && \
rm -rf lib obj && \
( [ ! -f ./exe/local/cp2k.psmp ] || ldd ./exe/local/cp2k.psmp | grep -q libmpi )"
ln -vs /opt/cp2k-toolchain/install/arch/local.psmp ./arch/"
COPY ./data ./data
COPY ./tests ./tests
COPY ./tools/regtesting ./tools/regtesting
Expand Down
6 changes: 1 addition & 5 deletions tools/docker/Dockerfile.test_generic_sdbg
View file
Original file line number Diff line number Diff line change
Expand Up @@ -68,11 +68,7 @@ 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.sdbg ./arch/ && \
echo 'Compiling cp2k...' && \
source /opt/cp2k-toolchain/install/setup && \
( make -j ARCH=local VERSION=sdbg &> /dev/null || true ) && \
rm -rf lib obj"
ln -vs /opt/cp2k-toolchain/install/arch/local.sdbg ./arch/"
COPY ./data ./data
COPY ./tests ./tests
COPY ./tools/regtesting ./tools/regtesting
Expand Down
6 changes: 1 addition & 5 deletions tools/docker/Dockerfile.test_generic_ssmp
View file
Original file line number Diff line number Diff line change
Expand Up @@ -68,11 +68,7 @@ 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...' && \
source /opt/cp2k-toolchain/install/setup && \
( make -j ARCH=local VERSION=ssmp &> /dev/null || true ) && \
rm -rf lib obj"
ln -vs /opt/cp2k-toolchain/install/arch/local.ssmp ./arch/"
COPY ./data ./data
COPY ./tests ./tests
COPY ./tools/regtesting ./tools/regtesting
Expand Down
6 changes: 1 addition & 5 deletions tools/docker/Dockerfile.test_gromacs
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Original file line number Diff line number Diff line change
Expand Up @@ -67,11 +67,7 @@ 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.sdbg ./arch/ && \
echo 'Compiling cp2k...' && \
source /opt/cp2k-toolchain/install/setup && \
( make -j ARCH=local VERSION=sdbg &> /dev/null || true ) && \
rm -rf lib obj"
ln -vs /opt/cp2k-toolchain/install/arch/local.sdbg ./arch/"
COPY ./data ./data
COPY ./tests ./tests
COPY ./tools/regtesting ./tools/regtesting
Expand Down
7 changes: 1 addition & 6 deletions tools/docker/Dockerfile.test_hip_cuda_A100
View file
Original file line number Diff line number Diff line change
Expand Up @@ -165,12 +165,7 @@ 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...' && \
source /opt/cp2k-toolchain/install/setup && \
( make -j ARCH=local_hip VERSION=psmp &> /dev/null || true ) && \
rm -rf lib obj && \
( [ ! -f ./exe/local_hip/cp2k.psmp ] || ldd ./exe/local_hip/cp2k.psmp | grep -q libmpi )"
ln -vs /opt/cp2k-toolchain/install/arch/local_hip.psmp ./arch/"
COPY ./data ./data
COPY ./tests ./tests
COPY ./tools/regtesting ./tools/regtesting
Expand Down
7 changes: 1 addition & 6 deletions tools/docker/Dockerfile.test_hip_cuda_P100
View file
Original file line number Diff line number Diff line change
Expand Up @@ -165,12 +165,7 @@ 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...' && \
source /opt/cp2k-toolchain/install/setup && \
( make -j ARCH=local_hip VERSION=psmp &> /dev/null || true ) && \
rm -rf lib obj && \
( [ ! -f ./exe/local_hip/cp2k.psmp ] || ldd ./exe/local_hip/cp2k.psmp | grep -q libmpi )"
ln -vs /opt/cp2k-toolchain/install/arch/local_hip.psmp ./arch/"
COPY ./data ./data
COPY ./tests ./tests
COPY ./tools/regtesting ./tools/regtesting
Expand Down
7 changes: 1 addition & 6 deletions tools/docker/Dockerfile.test_hip_cuda_V100
View file
Original file line number Diff line number Diff line change
Expand Up @@ -165,12 +165,7 @@ 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...' && \
source /opt/cp2k-toolchain/install/setup && \
( make -j ARCH=local_hip VERSION=psmp &> /dev/null || true ) && \
rm -rf lib obj && \
( [ ! -f ./exe/local_hip/cp2k.psmp ] || ldd ./exe/local_hip/cp2k.psmp | grep -q libmpi )"
ln -vs /opt/cp2k-toolchain/install/arch/local_hip.psmp ./arch/"
COPY ./data ./data
COPY ./tests ./tests
COPY ./tools/regtesting ./tools/regtesting
Expand Down
7 changes: 1 addition & 6 deletions tools/docker/Dockerfile.test_hip_rocm_Mi100
View file
Original file line number Diff line number Diff line change
Expand Up @@ -83,12 +83,7 @@ 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...' && \
source /opt/cp2k-toolchain/install/setup && \
( make -j ARCH=local_hip VERSION=psmp &> /dev/null || true ) && \
rm -rf lib obj && \
( [ ! -f ./exe/local_hip/cp2k.psmp ] || ldd ./exe/local_hip/cp2k.psmp | grep -q libmpi )"
ln -vs /opt/cp2k-toolchain/install/arch/local_hip.psmp ./arch/"
COPY ./data ./data
COPY ./tests ./tests
COPY ./tools/regtesting ./tools/regtesting
Expand Down
7 changes: 1 addition & 6 deletions tools/docker/Dockerfile.test_hip_rocm_Mi50
View file
Original file line number Diff line number Diff line change
Expand Up @@ -83,12 +83,7 @@ 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...' && \
source /opt/cp2k-toolchain/install/setup && \
( make -j ARCH=local_hip VERSION=psmp &> /dev/null || true ) && \
rm -rf lib obj && \
( [ ! -f ./exe/local_hip/cp2k.psmp ] || ldd ./exe/local_hip/cp2k.psmp | grep -q libmpi )"
ln -vs /opt/cp2k-toolchain/install/arch/local_hip.psmp ./arch/"
COPY ./data ./data
COPY ./tests ./tests
COPY ./tools/regtesting ./tools/regtesting
Expand Down
6 changes: 1 addition & 5 deletions tools/docker/Dockerfile.test_i-pi
View file
Original file line number Diff line number Diff line change
Expand Up @@ -67,11 +67,7 @@ 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.sdbg ./arch/ && \
echo 'Compiling cp2k...' && \
source /opt/cp2k-toolchain/install/setup && \
( make -j ARCH=local VERSION=sdbg &> /dev/null || true ) && \
rm -rf lib obj"
ln -vs /opt/cp2k-toolchain/install/arch/local.sdbg ./arch/"
COPY ./data ./data
COPY ./tests ./tests
COPY ./tools/regtesting ./tools/regtesting
Expand Down

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