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cp2k/tools/docker
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Matthias Krack d26d4aaf2b Add Spack tester for 4 MPI ranks and 2 OpenMP threads
2026-01-05 10:33:25 +01:00
..
scripts Docker: Plot total times of benchmarks 2026-01-02 13:37:07 +01:00
.gitignore Docker: Major refactoring (#87) 2018-11-08 13:56:15 +01:00
build_dockerhub_images.sh Docker: Add script for building Docker Hub images 2022-05-11 16:17:16 +02:00
cp2k-ci.conf Add Spack tester for 4 MPI ranks and 2 OpenMP threads 2026-01-05 10:33:25 +01:00
Dockerfile.build_hip_rocm_Mi50 Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
Dockerfile.build_hip_rocm_Mi100 Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
Dockerfile.test_aiida Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
Dockerfile.test_arm64-psmp Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
Dockerfile.test_asan-psmp Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
Dockerfile.test_ase Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
Dockerfile.test_conventions Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
Dockerfile.test_coverage Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
Dockerfile.test_cuda_A100 Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
Dockerfile.test_cuda_P100 Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
Dockerfile.test_cuda_V100 Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
Dockerfile.test_doxygen Docker: Remove Makefile from tests without build 2025-10-20 11:26:59 +02:00
Dockerfile.test_fedora-psmp Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
Dockerfile.test_gcc8 Docker: Fix Ubuntu based tests 2026-01-02 13:37:07 +01:00
Dockerfile.test_gcc9 Docker: Fix Ubuntu based tests 2026-01-02 13:37:07 +01:00
Dockerfile.test_gcc10 Docker: Fix Ubuntu based tests 2026-01-02 13:37:07 +01:00
Dockerfile.test_gcc11 Docker: Fix Ubuntu based tests 2026-01-02 13:37:07 +01:00
Dockerfile.test_gcc12 Docker: Fix Ubuntu based tests 2026-01-02 13:37:07 +01:00
Dockerfile.test_gcc13 Docker: Fix Ubuntu based tests 2026-01-02 13:37:07 +01:00
Dockerfile.test_gcc14 Docker: Fix Ubuntu based tests 2026-01-02 13:37:07 +01:00
Dockerfile.test_generic_psmp Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
Dockerfile.test_gromacs Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
Dockerfile.test_i-pi Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
Dockerfile.test_intel-ifort-psmp Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
Dockerfile.test_intel-ifort-ssmp Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
Dockerfile.test_intel-ifx-psmp Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
Dockerfile.test_intel-ifx-ssmp Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
Dockerfile.test_manual Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
Dockerfile.test_minimal Docker: Fix Ubuntu based tests 2026-01-02 13:37:07 +01:00
Dockerfile.test_misc Docker: Remove Makefile from tests without build 2025-10-20 11:26:59 +02:00
Dockerfile.test_openmpi-psmp Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
Dockerfile.test_pdbg Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
Dockerfile.test_performance Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
Dockerfile.test_performance_cuda_A100 Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
Dockerfile.test_performance_cuda_P100 Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
Dockerfile.test_performance_cuda_V100 Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
Dockerfile.test_phonopy Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
Dockerfile.test_precommit Add regression tester for new Intel ifx compiler 2025-06-02 12:30:00 +02:00
Dockerfile.test_psmp Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
Dockerfile.test_psmp_4ranks Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
Dockerfile.test_sdbg Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
Dockerfile.test_spack_openmpi-psmp Add Spack OpenMPI tester 2025-12-31 21:54:55 +01:00
Dockerfile.test_spack_psmp Ensure consistency with generator script 2025-12-31 21:54:55 +01:00
Dockerfile.test_spack_psmp-4x2 Add Spack tester for 4 MPI ranks and 2 OpenMP threads 2026-01-05 10:33:25 +01:00
Dockerfile.test_spack_ssmp Ensure consistency with generator script 2025-12-31 21:54:55 +01:00
Dockerfile.test_ssmp Toolchain: Install tblite from .tar.xz instead of .tar.gz 2026-01-02 12:39:21 +01:00
generate_dockerfiles.py Add Spack tester for 4 MPI ranks and 2 OpenMP threads 2026-01-05 10:33:25 +01:00
README.md Use podman instead of docker 2025-05-21 16:25:59 +02:00
spack_cache_list.sh Use podman instead of docker 2025-05-21 16:25:59 +02:00
spack_cache_remove.sh Use podman instead of docker 2025-05-21 16:25:59 +02:00
spack_cache_start.sh Use podman instead of docker 2025-05-21 16:25:59 +02:00
spack_cache_stop.sh Use podman instead of docker 2025-05-21 16:25:59 +02:00

README.md

Docker Containers for Testing

Note

For production containers please visit: http://github.com/cp2k/cp2k-containers.

This directory hosts docker files for testing cp2k. They are mostly used by the cp2k-ci to check pull requests and populate the dashboard.

To run a test one simply has to build the image:

./spack_cache_start.sh
podman build --network=host --shm-size=1g -f Dockerfile.test_sdbg -t cp2k_test_sdbg ../../

To retrieve the cached report of an old image simply run it:

podman run cp2k_test_sdbg