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Add MACE support interface (#5580)

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Co-authored-by: Ole Schütt <ole@schuett.name>
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xysun 2026-07-20 23:42:41 +02:00 • committed by GitHub
parent 290501bb7f
commit a0df33dd6a
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22 changed files with 568 additions and 77 deletions
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tools/docker/scripts/test_misc.sh
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@ -44,6 +44,7 @@ run_test ./tools/pao-ml/pao-validate.py --threshold=1e-5 --model="tests/QS/regte
run_test ./tools/vibronic_spec/main.py ./tools/vibronic_spec/example/example_config.toml
run_test mypy --strict ./tools/pao-ml/
run_test mypy --strict ./tools/mace/create_cp2k_model.py
run_test mypy --strict ./tools/minimax_tools/minimax_to_fortran_source.py
run_test mypy --strict ./tools/dashboard/generate_dashboard.py
run_test mypy --strict ./tools/regtesting/optimize_test_dirs.py