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1 parent dd93b2d commit 24d56adCopy full SHA for 24d56ad
pyproject.toml
@@ -102,7 +102,8 @@ strict-openff = [
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"pymatgen==2025.6.14", # EXERCISE CAUTION WHEN UPDATING - open ff is extremely sensitive to pymatgen version
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]
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strict-forcefields = [
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- "calorine==3.1",
+ "calorine==3.2; python_version >= '3.12'",
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+ "calorine==3.1; python_version < '3.12'",
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"chgnet==0.3.8",
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"mace-torch==0.3.14",
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"matgl==1.3.0",
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