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1 parent 921390a commit 5ac0b45Copy full SHA for 5ac0b45
tests/openmm_md/conftest.py
@@ -10,7 +10,6 @@
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from atomate2.forcefields.utils import revert_default_dtype
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from atomate2.openmm.jobs.core import NVTMaker
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-from atomate2.openmm.jobs.mace import generate_mace_interchange
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from atomate2.openmm.utils import get_random_packed_structure
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@@ -110,6 +109,8 @@ def random_structure(test_dir) -> Structure:
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@pytest.fixture(scope="session")
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def task_doc(random_structure: Structure, test_dir: Path) -> OpenMMInterchange:
+ from atomate2.openmm.jobs.mace import generate_mace_interchange
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+
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output_dir = test_dir / "test_files" / "output_dir"
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output_dir.mkdir(parents=True, exist_ok=True)
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