cp2k/tools/docker/scripts
xysun a0df33dd6a
Add MACE support interface (#5580)
Co-authored-by: Ole Schütt <ole@schuett.name>
2026-07-20 23:42:41 +02:00
..
build_cp2k.sh Relocate cmake_cp2k.sh and test matcher classes (#5433) 2026-06-23 13:28:58 +02:00
cmake_cp2k.sh Docker: Disable PyTorch in generic toolchain tester (#5529) 2026-07-04 23:43:37 +02:00
install_doxygen.sh Docker: User build context for all images 2022-02-24 19:11:59 +01:00
install_misc.sh Docker: Upgrade python packages (#5172) 2026-05-12 13:31:01 +02:00
plot_performance.py Docker: Plot total times of benchmarks 2026-01-02 13:37:07 +01:00
prod_entrypoint.sh Docker: Add generic test and prod files 2022-03-30 11:43:38 +02:00
setup_spack_cache.sh Spack docker tester: Restore cache setup and access via host endpoint (#5236) 2026-05-18 16:41:25 +02:00
test_aiida.sh Docker: Use Ubuntu 26.04 for toolchain testings (#5210) 2026-05-17 11:15:00 +02:00
test_ase.sh Docker: Simplify generate_dockerfiles.py 2025-07-24 15:48:42 +02:00
test_build.sh Docker: Migrate HIP build test to CMake 2025-11-29 12:05:50 +01:00
test_coverage.sh Docker: Remove Makefile from tests without build 2025-10-20 11:26:59 +02:00
test_doxygen.sh Docker: Remove Makefile from tests without build 2025-10-20 11:26:59 +02:00
test_gromacs.sh Test installed CP2K CMake package config (#5231) 2026-05-18 09:08:48 +02:00
test_i-pi.sh Docker: Simplify generate_dockerfiles.py 2025-07-24 15:48:42 +02:00
test_manual.sh Docker: Switch manual to pdbg (#5074) 2026-04-18 21:57:16 +02:00
test_misc.sh Add MACE support interface (#5580) 2026-07-20 23:42:41 +02:00
test_performance.sh benchmarks: Add QS_reference for water different functionals (#5058) 2026-04-13 18:04:53 +02:00
test_phonopy.sh Docker: Move to Phonopy main branch (#5285) 2026-05-26 00:02:17 +02:00
test_precommit.sh precommit: Add helpful message (#4888) 2026-02-27 16:43:22 +01:00
test_regtest.sh Move SCF k-point dipoles to qs_moments (#5222) 2026-05-17 17:15:16 +02:00
test_regtest_spack.sh Docker files for spack stack 2023-10-30 21:00:34 +01:00