Use metatomic_ase directly instead of metatomic.torch.ase_calculator (#124)

Author: HaoZeke

pyproject.toml

@@ -24,6 +24,7 @@ maintainers = [
 
 dependencies = [
     "metatrain>=2026.2,<2026.3",
+    "metatomic-ase",
     "nvalchemi-toolkit-ops==0.2.0",
     "huggingface_hub",
     "hf_xet",

src/upet/calculator.py

@@ -6,7 +6,7 @@
 import torch
 from ase import Atoms
 from metatomic.torch import ModelOutput
-from metatomic.torch.ase_calculator import MetatomicCalculator, SymmetrizedCalculator
+from metatomic_ase import MetatomicCalculator, SymmetrizedCalculator
 from packaging.version import Version
 
 from ._models import (