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Fix and add GRACE tests
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tests/test_mlip_calculators.py

Lines changed: 4 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -88,11 +88,12 @@ def test_invalid_arch():
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("nequip", "/invalid/path"),
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("dpa3", "/invalid/path"),
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("orb", "/invalid/path"),
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("grace", "/invalid/path"),
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],
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)
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def test_invalid_model_path(arch, model_path):
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"""Test error raised for invalid model_path."""
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with pytest.raises((ValueError, RuntimeError)):
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with pytest.raises((ValueError, RuntimeError, AssertionError)):
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choose_calculator(arch=arch, model_path=model_path)
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@@ -138,7 +139,8 @@ def test_invalid_device(arch):
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("dpa3", "cpu", {"model": DPA3_PATH}),
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("orb", "cpu", {}),
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("orb", "cpu", {"model": ORB_MODEL}),
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("grace", "", {}),
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("grace", "cpu", {}),
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("grace", "cpu", {"model_path": "GRACE-1L-OAM_2Feb25"}),
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],
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)
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def test_extra_mlips(arch, device, kwargs):

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