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Fix duplicate model_paths kwarg #58

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merged 1 commit into from
Mar 5, 2024

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ElliottKasoar
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Resolves issue with duplicated kwargs for mace_off and mace_mp.

The new tests throws an error without the fix, e.g.:

E       TypeError: mace.calculators.mace.MACECalculator() got multiple values for keyword argument 'model_paths'

../venv_janus_11_new/lib/python3.11/site-packages/mace/calculators/foundations_models.py:105: TypeError
------------------------------------------------------- Captured stdout call --------------------------------------------------------
Using Materials Project MACE for MACECalculator with /home/ek/.cache/mace/46jrkm3v
Using float64 for MACECalculator, which is slower but more accurate. Recommended for geometry optimization.
====================================================== short test summary info ======================================================
FAILED tests/test_mlip_calculators.py::test_mace[mace_mp-cpu-kwargs3] - TypeError: mace.calculators.mace.MACECalculator() got multiple values for keyword argument 'model_paths'

@ElliottKasoar ElliottKasoar added bug Something isn't working janus labels Mar 5, 2024
@ElliottKasoar ElliottKasoar self-assigned this Mar 5, 2024
@alinelena alinelena merged commit f77883f into stfc:main Mar 5, 2024
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@ElliottKasoar ElliottKasoar deleted the fix-model-paths branch March 5, 2024 22:30
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