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scripts
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Docker: Fix ASE, i-Pi, and AiiDA tests
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2024-08-22 21:49:47 +02:00 |
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.gitignore
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Docker: Major refactoring (#87)
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2018-11-08 13:56:15 +01:00 |
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build_dockerhub_images.sh
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Docker: Add script for building Docker Hub images
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2022-05-11 16:17:16 +02:00 |
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cp2k-ci.conf
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Docker: Add test for GCC 14
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2024-08-12 15:20:28 +02:00 |
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Dockerfile.build_hip_rocm_Mi50
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Docker: Avoid compiling cp2k twice
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2023-08-30 20:02:42 +02:00 |
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Dockerfile.build_hip_rocm_Mi100
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Docker: Avoid compiling cp2k twice
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2023-08-30 20:02:42 +02:00 |
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Dockerfile.test_aiida
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Docker: Add libxsmm and spglib to Ubuntu based tests
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2024-05-15 12:16:47 +02:00 |
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Dockerfile.test_arm64-psmp
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Updated LIBXSMM (#3577)
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2024-09-06 12:37:22 +02:00 |
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Dockerfile.test_asan-psmp
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Docker: Upgrade to Ubuntu 24.04
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2024-05-01 16:00:17 +02:00 |
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Dockerfile.test_asan-ssmp
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Docker: Upgrade to Ubuntu 24.04
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2024-05-01 16:00:17 +02:00 |
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Dockerfile.test_ase
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Docker: Add libxsmm and spglib to Ubuntu based tests
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2024-05-15 12:16:47 +02:00 |
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Dockerfile.test_cmake
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Docker: Upgrade to DBCSR 2.7.0
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2024-08-21 13:14:18 +02:00 |
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Dockerfile.test_conventions
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Docker: Upgrade to Ubuntu 24.04
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2024-05-01 16:00:17 +02:00 |
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Dockerfile.test_coverage-pdbg
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Docker: Upgrade to Ubuntu 24.04
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2024-05-01 16:00:17 +02:00 |
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Dockerfile.test_coverage-sdbg
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Docker: Upgrade to Ubuntu 24.04
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2024-05-01 16:00:17 +02:00 |
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Dockerfile.test_cuda_A100
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Docker: Avoid compiling cp2k twice
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2023-08-30 20:02:42 +02:00 |
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Dockerfile.test_cuda_P100
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Docker: Avoid compiling cp2k twice
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2023-08-30 20:02:42 +02:00 |
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Dockerfile.test_cuda_V100
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Docker: Avoid compiling cp2k twice
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2023-08-30 20:02:42 +02:00 |
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Dockerfile.test_doxygen
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Docker: Upgrade to Ubuntu 24.04
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2024-05-01 16:00:17 +02:00 |
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Dockerfile.test_fedora-psmp
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Docker: Avoid compiling cp2k twice
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2023-08-30 20:02:42 +02:00 |
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Dockerfile.test_gcc8
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Drop spglib in gcc8 test
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2024-03-20 11:59:31 +01:00 |
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Dockerfile.test_gcc9
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Docker: Add libxsmm and spglib to Ubuntu based tests
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2024-05-15 12:16:47 +02:00 |
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Dockerfile.test_gcc10
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Docker: Add libxsmm and spglib to Ubuntu based tests
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2024-05-15 12:16:47 +02:00 |
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Dockerfile.test_gcc11
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Docker: Add libxsmm and spglib to Ubuntu based tests
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2024-05-15 12:16:47 +02:00 |
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Dockerfile.test_gcc12
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Docker: Add libxsmm and spglib to Ubuntu based tests
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2024-05-15 12:16:47 +02:00 |
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Dockerfile.test_gcc13
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Docker: Add libxsmm and spglib to Ubuntu based tests
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2024-05-15 12:16:47 +02:00 |
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Dockerfile.test_gcc14
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Docker: Add test for GCC 14
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2024-08-12 15:20:28 +02:00 |
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Dockerfile.test_generic_pdbg
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Docker: Upgrade to Ubuntu 24.04
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2024-05-01 16:00:17 +02:00 |
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Dockerfile.test_generic_psmp
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Docker: Upgrade to Ubuntu 24.04
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2024-05-01 16:00:17 +02:00 |
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Dockerfile.test_generic_sdbg
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Docker: Upgrade to Ubuntu 24.04
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2024-05-01 16:00:17 +02:00 |
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Dockerfile.test_generic_ssmp
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Docker: Upgrade to Ubuntu 24.04
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2024-05-01 16:00:17 +02:00 |
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Dockerfile.test_gromacs
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Docker: Add libxsmm and spglib to Ubuntu based tests
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2024-05-15 12:16:47 +02:00 |
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Dockerfile.test_hip_cuda_A100
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Docker: Avoid compiling cp2k twice
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2023-08-30 20:02:42 +02:00 |
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Dockerfile.test_hip_cuda_P100
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Docker: Avoid compiling cp2k twice
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2023-08-30 20:02:42 +02:00 |
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Dockerfile.test_hip_cuda_V100
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Docker: Avoid compiling cp2k twice
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2023-08-30 20:02:42 +02:00 |
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Dockerfile.test_hip_rocm_Mi50
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Docker: Avoid compiling cp2k twice
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2023-08-30 20:02:42 +02:00 |
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Dockerfile.test_hip_rocm_Mi100
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Docker: Avoid compiling cp2k twice
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2023-08-30 20:02:42 +02:00 |
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Dockerfile.test_i-pi
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Docker: Add libxsmm and spglib to Ubuntu based tests
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2024-05-15 12:16:47 +02:00 |
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Dockerfile.test_i386
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Docker: Fix i386 test
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2024-05-22 20:56:03 +02:00 |
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Dockerfile.test_intel-psmp
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Use latest Intel HPC Toolkit version
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2024-08-21 09:25:32 +02:00 |
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Dockerfile.test_manual
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Docker: Upgrade to Ubuntu 24.04
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2024-05-01 16:00:17 +02:00 |
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Dockerfile.test_minimal
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Docker: Add libxsmm and spglib to Ubuntu based tests
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2024-05-15 12:16:47 +02:00 |
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Dockerfile.test_misc
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Docker: Upgrade to Ubuntu 24.04
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2024-05-01 16:00:17 +02:00 |
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Dockerfile.test_nvhpc
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Docker: Add draft of Dockerfile.test_nvhpc
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2022-11-20 16:30:36 +01:00 |
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Dockerfile.test_openmpi-psmp
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Docker: Run OpenMPI test with system GCC version
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2024-08-12 15:20:28 +02:00 |
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Dockerfile.test_pdbg
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Docker: Upgrade to Ubuntu 24.04
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2024-05-01 16:00:17 +02:00 |
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Dockerfile.test_performance
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Docker: Upgrade to Ubuntu 24.04
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2024-05-01 16:00:17 +02:00 |
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Dockerfile.test_performance_cuda_A100
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Docker: Avoid compiling cp2k twice
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2023-08-30 20:02:42 +02:00 |
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Dockerfile.test_performance_cuda_P100
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Docker: Avoid compiling cp2k twice
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2023-08-30 20:02:42 +02:00 |
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Dockerfile.test_performance_cuda_V100
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Docker: Avoid compiling cp2k twice
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2023-08-30 20:02:42 +02:00 |
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Dockerfile.test_precommit
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precommit: Upgrade to Ubuntu 24.04
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2024-05-01 17:11:52 +02:00 |
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Dockerfile.test_psmp
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Docker: Upgrade to Ubuntu 24.04
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2024-05-01 16:00:17 +02:00 |
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Dockerfile.test_sdbg
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Docker: Upgrade to Ubuntu 24.04
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2024-05-01 16:00:17 +02:00 |
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Dockerfile.test_ssmp
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Docker: Migrate ssmp test to CMake
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2024-05-15 13:28:13 +02:00 |
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generate_dockerfiles.py
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Updated LIBXSMM (#3577)
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2024-09-06 12:37:22 +02:00 |
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README.md
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precommit: Wrap Markdown lines after 100 characters
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2023-11-14 12:47:36 +01:00 |
