Add skeleton for exporter

pyproject.toml

@@ -12,7 +12,7 @@ dependencies = [
     "ase",
     "torch",
     "hydra-core",
-    "rascaline-torch @ git+https://github.com/luthaf/rascaline#subdirectory=python/rascaline-torch",
+    #"rascaline-torch @ git+https://github.com/luthaf/rascaline#subdirectory=python/rascaline-torch",
     "metatensor-core",
     "metatensor-operations",
     "metatensor-torch",

src/metatensor/models/cli/eval_model.py

@@ -59,7 +59,6 @@ def eval_model(
     :param structure_path: Path to a structure file which should be considered for the
         evaluation.
     :param output_path: Path to save the predicted values
-
     """
 
     model = load_model(model_path)

src/metatensor/models/cli/export_model.py

@@ -2,14 +2,41 @@
 
 
 def _add_export_model_parser(subparser: argparse._SubParsersAction) -> None:
+    if export_model.__doc__ is not None:
+        description = export_model.__doc__.split(r":param")[0]
+    else:
+        description = None
+
     parser = subparser.add_parser(
         "export",
-        description=export_model.__doc__,
+        description=description,
         formatter_class=argparse.ArgumentDefaultsHelpFormatter,
     )
     parser.set_defaults(callable="export_model")
 
+    parser.add_argument(
+        "-m",
+        "--model",
+        dest="model_path",
+        type=str,
+        required=True,
+        help="Path to a saved model",
+    )
+    parser.add_argument(
+        "-o",
+        "--output",
+        dest="output_path",
+        type=str,
+        required=False,
+        default="exported.pt",
+        help="Export path for the model.",
+    )
+
+
+def export_model(model_path: str, output_path: str) -> None:
+    """Export a pretrained model to run MD simulations
 
-def export_model():
-    """export a model"""
-    print("Run exort...")
+    :param model_path: Path to a saved model
+    :param output_path: Path to save the exported model
+    """
+    raise NotImplementedError("model exporting is not implemented yet.")