mirror of
https://github.com/cp2k/cp2k.git
synced 2026-07-21 14:35:15 -04:00
39a00b0a2b
This PR drops FFTW library if MKL is present and if FFTW is not necessary otherwise (e.g., libvdwxc relies on native FFTW library). For cases where FFTW library and MKL are mixed, a new warning is issued by CP2K's toolchain. * Implemented warning about mixing MKL FFTW interface and FFTW library at link-line. * Export FFTW3_INCLUDES and FFTW3_LIBS (install_fftw.sh and install_mkl.sh). * Revised build/installation of libvdwxc to not rely on FFTW_ROOT. * Allow using Intel MPI even with --mpi-mode=mpich. * Moved install_fftw.sh from stage2 to stage3 (after MKL). * Disable using separate FFTW library if MKL is linked. * Fixed picking MKL's ScaLAPACK in case of Intel MPI. * Show message about default MPI-kind (MPICH). * Improved toolchain/main script (help line). * Rely on MPICXX=mpicxx (Intel MPI). * Adjusted MKL help line message.
18 lines
598 B
Bash
Executable file
18 lines
598 B
Bash
Executable file
#!/bin/bash -e
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# author: Ole Schuett
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set -x
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SHORT_SHA=$(git rev-parse --short HEAD)
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docker build --build-arg "REVISION=${SHORT_SHA}" -t cp2k-precommit .
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docker tag "cp2k-precommit gcr.io/cp2k-org-project/img_cp2kprecommit:${SHORT_SHA}"
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docker tag "cp2k-precommit gcr.io/cp2k-org-project/img_cp2kprecommit:latest"
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docker push "gcr.io/cp2k-org-project/img_cp2kprecommit:${SHORT_SHA}"
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docker push "gcr.io/cp2k-org-project/img_cp2kprecommit:latest"
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gcloud run deploy cp2k-precommit --platform=managed --region=us-central1 \
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--image="gcr.io/cp2k-org-project/img_cp2kprecommit:${SHORT_SHA}"
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#EOF
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