diff --git a/pyproject.toml b/pyproject.toml index 2ef41b0d2..4869be3d5 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -51,7 +51,7 @@ defects = [ ] forcefields = [ "ase>=3.23.0", - "calorine<=2.2.1", + "calorine>=3.0", "chgnet>=0.2.2", "mace-torch>=0.3.3", "matgl>=1.1.3",