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cp2k/tools/docker
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Ole Schütt 9a20f053d1 Move prettify into precommit folder and inline fprettify submodule
2024-08-04 12:45:16 +02:00
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scripts Move prettify into precommit folder and inline fprettify submodule 2024-08-04 12:45:16 +02:00
.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 Dashboard: Add test for GCC 13 2024-05-01 18:50:29 +02:00
Dockerfile.build_hip_rocm_Mi50 Docker: Avoid compiling cp2k twice 2023-08-30 20:02:42 +02:00
Dockerfile.build_hip_rocm_Mi100 Docker: Avoid compiling cp2k twice 2023-08-30 20:02:42 +02:00
Dockerfile.test_aiida Docker: Add libxsmm and spglib to Ubuntu based tests 2024-05-15 12:16:47 +02:00
Dockerfile.test_arm64-psmp Docker: Upgrade to Ubuntu 24.04 2024-05-01 16:00:17 +02:00
Dockerfile.test_asan-psmp Docker: Upgrade to Ubuntu 24.04 2024-05-01 16:00:17 +02:00
Dockerfile.test_asan-ssmp Docker: Upgrade to Ubuntu 24.04 2024-05-01 16:00:17 +02:00
Dockerfile.test_ase Docker: Add libxsmm and spglib to Ubuntu based tests 2024-05-15 12:16:47 +02:00
Dockerfile.test_cmake Use new external DLA-Future Fortran interface 2024-05-27 13:05:39 +02:00
Dockerfile.test_conventions Docker: Upgrade to Ubuntu 24.04 2024-05-01 16:00:17 +02:00
Dockerfile.test_coverage-pdbg Docker: Upgrade to Ubuntu 24.04 2024-05-01 16:00:17 +02:00
Dockerfile.test_coverage-sdbg Docker: Upgrade to Ubuntu 24.04 2024-05-01 16:00:17 +02:00
Dockerfile.test_cuda_A100 Docker: Avoid compiling cp2k twice 2023-08-30 20:02:42 +02:00
Dockerfile.test_cuda_P100 Docker: Avoid compiling cp2k twice 2023-08-30 20:02:42 +02:00
Dockerfile.test_cuda_V100 Docker: Avoid compiling cp2k twice 2023-08-30 20:02:42 +02:00
Dockerfile.test_doxygen Docker: Upgrade to Ubuntu 24.04 2024-05-01 16:00:17 +02:00
Dockerfile.test_fedora-psmp Docker: Avoid compiling cp2k twice 2023-08-30 20:02:42 +02:00
Dockerfile.test_gcc8 Drop spglib in gcc8 test 2024-03-20 11:59:31 +01:00
Dockerfile.test_gcc9 Docker: Add libxsmm and spglib to Ubuntu based tests 2024-05-15 12:16:47 +02:00
Dockerfile.test_gcc10 Docker: Add libxsmm and spglib to Ubuntu based tests 2024-05-15 12:16:47 +02:00
Dockerfile.test_gcc11 Docker: Add libxsmm and spglib to Ubuntu based tests 2024-05-15 12:16:47 +02:00
Dockerfile.test_gcc12 Docker: Add libxsmm and spglib to Ubuntu based tests 2024-05-15 12:16:47 +02:00
Dockerfile.test_gcc13 Docker: Add libxsmm and spglib to Ubuntu based tests 2024-05-15 12:16:47 +02:00
Dockerfile.test_generic_pdbg Docker: Upgrade to Ubuntu 24.04 2024-05-01 16:00:17 +02:00
Dockerfile.test_generic_psmp Docker: Upgrade to Ubuntu 24.04 2024-05-01 16:00:17 +02:00
Dockerfile.test_generic_sdbg Docker: Upgrade to Ubuntu 24.04 2024-05-01 16:00:17 +02:00
Dockerfile.test_generic_ssmp Docker: Upgrade to Ubuntu 24.04 2024-05-01 16:00:17 +02:00
Dockerfile.test_gromacs Docker: Add libxsmm and spglib to Ubuntu based tests 2024-05-15 12:16:47 +02:00
Dockerfile.test_hip_cuda_A100 Docker: Avoid compiling cp2k twice 2023-08-30 20:02:42 +02:00
Dockerfile.test_hip_cuda_P100 Docker: Avoid compiling cp2k twice 2023-08-30 20:02:42 +02:00
Dockerfile.test_hip_cuda_V100 Docker: Avoid compiling cp2k twice 2023-08-30 20:02:42 +02:00
Dockerfile.test_hip_rocm_Mi50 Docker: Avoid compiling cp2k twice 2023-08-30 20:02:42 +02:00
Dockerfile.test_hip_rocm_Mi100 Docker: Avoid compiling cp2k twice 2023-08-30 20:02:42 +02:00
Dockerfile.test_i-pi Docker: Add libxsmm and spglib to Ubuntu based tests 2024-05-15 12:16:47 +02:00
Dockerfile.test_i386 Docker: Fix i386 test 2024-05-22 20:56:03 +02:00
Dockerfile.test_intel-psmp Update Intel hpckit version 2024-07-11 22:49:11 +02:00
Dockerfile.test_manual Docker: Upgrade to Ubuntu 24.04 2024-05-01 16:00:17 +02:00
Dockerfile.test_minimal Docker: Add libxsmm and spglib to Ubuntu based tests 2024-05-15 12:16:47 +02:00
Dockerfile.test_misc Docker: Upgrade to Ubuntu 24.04 2024-05-01 16:00:17 +02:00
Dockerfile.test_nvhpc Docker: Add draft of Dockerfile.test_nvhpc 2022-11-20 16:30:36 +01:00
Dockerfile.test_openmpi-psmp Docker: Upgrade to Ubuntu 24.04 2024-05-01 16:00:17 +02:00
Dockerfile.test_pdbg Docker: Upgrade to Ubuntu 24.04 2024-05-01 16:00:17 +02:00
Dockerfile.test_performance Docker: Upgrade to Ubuntu 24.04 2024-05-01 16:00:17 +02:00
Dockerfile.test_performance_cuda_A100 Docker: Avoid compiling cp2k twice 2023-08-30 20:02:42 +02:00
Dockerfile.test_performance_cuda_P100 Docker: Avoid compiling cp2k twice 2023-08-30 20:02:42 +02:00
Dockerfile.test_performance_cuda_V100 Docker: Avoid compiling cp2k twice 2023-08-30 20:02:42 +02:00
Dockerfile.test_precommit precommit: Upgrade to Ubuntu 24.04 2024-05-01 17:11:52 +02:00
Dockerfile.test_psmp Docker: Upgrade to Ubuntu 24.04 2024-05-01 16:00:17 +02:00
Dockerfile.test_sdbg Docker: Upgrade to Ubuntu 24.04 2024-05-01 16:00:17 +02:00
Dockerfile.test_ssmp Docker: Migrate ssmp test to CMake 2024-05-15 13:28:13 +02:00
generate_dockerfiles.py Update Intel hpckit version 2024-07-11 22:49:11 +02:00
README.md precommit: Wrap Markdown lines after 100 characters 2023-11-14 12:47:36 +01:00

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:

docker build --shm-size=1g -f Dockerfile.test_sdbg -t cp2k_test_sdbg ../../

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

docker run cp2k_test_sdbg