update metatomic checkpoint to fix tests (#223)

Author: curtischong

docs/_static/draw_pkg_treemap.py

@@ -5,7 +5,7 @@
 
 # /// script
 # dependencies = [
-#     "pymatviz @ git+https://github.com/janosh/pymatviz",
+#     "pymatviz>=0.16.0",
 #     "plotly!=6.2.0", # TODO remove pin pending https://github.com/plotly/plotly.py/issues/5253#issuecomment-3016615635
 # ]
 # ///

examples/tutorials/metatomic_tutorial.py

@@ -4,7 +4,8 @@
 # /// script
 # dependencies = [
 #     "metatrain[pet]==2025.7",
-#     "metatomic-torch>=0.1.1,<0.2"
+#     "metatomic-torch>=0.1.1,<0.2",
+#     "vesin-torch>=0.3.7",
 # ]
 # ///
 # </details>

examples/tutorials/using_graphpes_tutorial.py

@@ -5,6 +5,7 @@
 # dependencies = [
 #     "graph-pes>=0.0.30",
 #     "torch==2.5",
+#     "vesin-torch>=0.3.7",
 # ]
 # ///
 # </details>

tests/models/test_metatomic.py

@@ -28,7 +28,7 @@ def metatomic_calculator(device: torch.device):
     """Load a pretrained metatomic model for testing."""
     return ase_calculator.MetatomicCalculator(
         model=load_model(
-            "https://huggingface.co/lab-cosmo/pet-mad/resolve/main/models/pet-mad-latest.ckpt"
+            "https://huggingface.co/lab-cosmo/pet-mad/resolve/v1.1.0/models/pet-mad-v1.1.0.ckpt"
         ).export(),
         device=device,
     )

torch_sim/models/metatomic.py

@@ -103,7 +103,7 @@ def __init__(
             )
 
         if model == "pet-mad":
-            path = "https://huggingface.co/lab-cosmo/pet-mad/resolve/main/models/pet-mad-latest.ckpt"
+            path = "https://huggingface.co/lab-cosmo/pet-mad/resolve/v1.1.0/models/pet-mad-v1.1.0.ckpt"
             self._model = load_model(path).export()
         elif model.endswith(".ckpt"):
             path = model