cyrusyc commited on
Commit
5b87ae4
1 Parent(s): be3a290

minor cleanup

Browse files
mlip_arena/tasks/eos/__init__.py ADDED
File without changes
tests/test_eos.py CHANGED
@@ -1,14 +1,19 @@
 
 
 
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  import pytest
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  from ase.build import bulk
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- import sys
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  from mlip_arena.models.utils import MLIPEnum
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  from mlip_arena.tasks.eos.run import fit as EOS
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  atoms = bulk("Cu", "fcc", a=3.6)
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  @pytest.mark.parametrize("model", [MLIPEnum["MACE-MP(M)"]])
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- @pytest.mark.skipif(sys.version_info != (3, 11), reason="requires Python 3.11 to use prefect")
 
 
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  def test_eos(model: MLIPEnum):
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  """
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  Test EOS prefect workflow with a simple cubic lattice.
 
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+
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+ import sys
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+
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  import pytest
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  from ase.build import bulk
 
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  from mlip_arena.models.utils import MLIPEnum
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  from mlip_arena.tasks.eos.run import fit as EOS
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  atoms = bulk("Cu", "fcc", a=3.6)
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+
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  @pytest.mark.parametrize("model", [MLIPEnum["MACE-MP(M)"]])
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+ @pytest.mark.skipif(
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+ sys.version_info != (3, 11), reason="requires Python 3.11 to use prefect"
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+ )
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  def test_eos(model: MLIPEnum):
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  """
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  Test EOS prefect workflow with a simple cubic lattice.
tests/test_external_calculators.py CHANGED
@@ -5,7 +5,7 @@ from mlip_arena.models.utils import MLIPEnum
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  @pytest.mark.parametrize("model", MLIPEnum)
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- def test_calculate(model):
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  calc = MLIPEnum[model.name].value()
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  atoms = Atoms(
 
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  @pytest.mark.parametrize("model", MLIPEnum)
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+ def test_calculate(model: MLIPEnum):
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  calc = MLIPEnum[model.name].value()
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  atoms = Atoms(