142 model download change

aiida_mlip/data/model.py

@@ -35,7 +35,7 @@ class ModelData(SinglefileData):
         Set the file for the node.
     from_local(file, architecture, filename=None):
         Create a ModelData instance from a local file.
-    from_url(url, architecture, filename=None, cache_dir=None, keep_file=False)
+    from_uri(url, architecture, filename=None, cache_dir=None, keep_file=False)
         Download a file from a URL and save it as ModelData.
 
     Other Parameters
@@ -155,7 +155,7 @@ def from_local(
 
     @classmethod
     # pylint: disable=too-many-arguments
-    def from_url(
+    def from_uri(
         cls,
         url: str,
         architecture: str,

aiida_mlip/helpers/help_load.py

@@ -42,15 +42,15 @@ def load_model(
         The loaded model.
     """
     if model is None:
-        loaded_model = ModelData.from_url(
+        loaded_model = ModelData.from_uri(
             "https://github.com/stfc/janus-core/raw/main/tests/models/mace_mp_small.model",  # pylint: disable=line-too-long
             architecture,
             cache_dir=cache_dir,
         )
     elif (file_path := Path(model)).is_file():
         loaded_model = ModelData.from_local(file_path, architecture=architecture)
     else:
-        loaded_model = ModelData.from_url(
+        loaded_model = ModelData.from_uri(
             model, architecture=architecture, cache_dir=cache_dir
         )
     return loaded_model

docs/source/user_guide/data.rst

@@ -29,7 +29,7 @@ Usage
 
 .. code-block:: python
 
-    model = ModelData.from_url('http://yoururl.test/model', architecture='mace', filename='model', cache_dir='/home/mlip/', force_download=False)
+    model = ModelData.from_uri('http://yoururl.test/model', architecture='mace', filename='model', cache_dir='/home/mlip/', force_download=False)
 
 - The architecture of the model file can be accessed using the `architecture` property:
 

docs/source/user_guide/tutorial.rst

@@ -35,7 +35,7 @@ In this example we use MACE with a model that we download from this URL: "https:
 
     from aiida_mlip.data.model import ModelData
     url = "https://github.com/stfc/janus-core/raw/main/tests/models/mace_mp_small.model"
-    model = ModelData.from_url(url, architecture="mace", cache_dir="/.cache/")
+    model = ModelData.from_uri(url, architecture="mace", cache_dir="/.cache/")
 
 If we already have the model saved in some folder we can save it as:
 

examples/tutorials/geometry-optimisation.ipynb

@@ -76,7 +76,7 @@
    "source": [
     "from aiida_mlip.data.model import ModelData\n",
     "url = \"https://github.com/stfc/janus-core/raw/main/tests/models/mace_mp_small.model\"\n",
-    "model = ModelData.from_url(url, architecture=\"mace_mp\", cache_dir=\"mlips\")"
+    "model = ModelData.from_uri(url, architecture=\"mace_mp\", cache_dir=\"mlips\")"
    ]
   },
   {
@@ -368,7 +368,7 @@
     "    return traj.get_step_structure(index.value)\n",
     "\n",
     "url = \"https://github.com/stfc/janus-core/raw/main/tests/models/mace_mp_small.model\"\n",
-    "model = ModelData.from_url(url, architecture=\"mace_mp\", cache_dir=\"mlips\")\n",
+    "model = ModelData.from_uri(url, architecture=\"mace_mp\", cache_dir=\"mlips\")\n",
     "list_of_nodes = []\n",
     "\n",
     "\n",

examples/tutorials/singlepoint.ipynb

@@ -66,7 +66,7 @@
    "source": [
     "from aiida_mlip.data.model import ModelData\n",
     "url = \"https://github.com/stfc/janus-core/raw/main/tests/models/mace_mp_small.model\"\n",
-    "model = ModelData.from_url(url, architecture=\"mace_mp\", cache_dir=\"mlips\")"
+    "model = ModelData.from_uri(url, architecture=\"mace_mp\", cache_dir=\"mlips\")"
    ]
   },
   {

tests/calculations/test_geomopt.py

@@ -43,7 +43,7 @@ def test_geomopt(fixture_sandbox, generate_calc_job, janus_code, model_folder):
         "--out",
         "aiida-results.xyz",
         "--calc-kwargs",
-        "{'default_dtype': 'float64', 'model': 'modelcopy.model'}",
+        "{'default_dtype': 'float64', 'model': 'mlff.model'}",
         "--traj",
         "aiida-traj.xyz",
     ]
@@ -58,7 +58,7 @@ def test_geomopt(fixture_sandbox, generate_calc_job, janus_code, model_folder):
 
     # Check the attributes of the returned `CalcInfo`
     assert sorted(fixture_sandbox.get_content_list()) == sorted(
-        ["aiida.xyz", "modelcopy.model"]
+        ["aiida.xyz", "mlff.model"]
     )
     assert isinstance(calc_info, datastructures.CalcInfo)
     assert isinstance(calc_info.codes_info[0], datastructures.CodeInfo)

tests/calculations/test_md.py

@@ -56,7 +56,7 @@ def test_MD(fixture_sandbox, generate_calc_job, janus_code, model_folder):
         "--summary",
         "md_summary.yml",
         "--calc-kwargs",
-        "{'default_dtype': 'float64', 'model': 'modelcopy.model'}",
+        "{'default_dtype': 'float64', 'model': 'mlff.model'}",
         "--ensemble",
         "nve",
         "--temp",
@@ -86,7 +86,7 @@ def test_MD(fixture_sandbox, generate_calc_job, janus_code, model_folder):
 
     # Check the attributes of the returned `CalcInfo`
     assert sorted(fixture_sandbox.get_content_list()) == sorted(
-        ["aiida.xyz", "modelcopy.model"]
+        ["aiida.xyz", "mlff.model"]
     )
     assert isinstance(calc_info, datastructures.CalcInfo)
     assert isinstance(calc_info.codes_info[0], datastructures.CodeInfo)
@@ -125,7 +125,7 @@ def test_MD_with_config(
         "--arch",
         "mace",
         "--calc-kwargs",
-        "{'model': 'modelcopy.model'}",
+        "{'model': 'mlff.model'}",
         "--config",
         "config.yaml",
         "--ensemble",
@@ -152,7 +152,7 @@ def test_MD_with_config(
         [
             "aiida.xyz",
             "config.yaml",
-            "modelcopy.model",
+            "mlff.model",
         ]
     )
     assert isinstance(calc_info, datastructures.CalcInfo)

tests/calculations/test_singlepoint.py

@@ -44,7 +44,7 @@ def test_singlepoint(fixture_sandbox, generate_calc_job, janus_code, model_folde
         "--out",
         "aiida-results.xyz",
         "--calc-kwargs",
-        "{'default_dtype': 'float64', 'model': 'modelcopy.model'}",
+        "{'default_dtype': 'float64', 'model': 'mlff.model'}",
     ]
 
     retrieve_list = [
@@ -56,7 +56,7 @@ def test_singlepoint(fixture_sandbox, generate_calc_job, janus_code, model_folde
 
     # Check the attributes of the returned `CalcInfo`
     assert sorted(fixture_sandbox.get_content_list()) == sorted(
-        ["aiida.xyz", "modelcopy.model"]
+        ["aiida.xyz", "mlff.model"]
     )
     assert isinstance(calc_info, datastructures.CalcInfo)
     assert isinstance(calc_info.codes_info[0], datastructures.CodeInfo)

tests/calculations/test_train.py

@@ -142,7 +142,7 @@ def test_prepare_tune(fixture_sandbox, generate_calc_job, janus_code, config_fol
 
     # Check the attributes of the returned `CalcInfo`
     assert sorted(fixture_sandbox.get_content_list()) == sorted(
-        ["mlip_train.yml", "modelcopy.model"]
+        ["mlip_train.yml", "mlff.model"]
     )
     assert isinstance(calc_info, datastructures.CalcInfo)
     assert isinstance(calc_info.codes_info[0], datastructures.CodeInfo)

tests/data/test_model.py

@@ -46,7 +46,7 @@ def test_download_fresh_file_keep(tmp_path):
 
     # Construct a ModelData instance downloading a non-cached file
     # pylint:disable=line-too-long
-    model = ModelData.from_url(
+    model = ModelData.from_uri(
         url="https://github.com/stfc/janus-core/raw/main/tests/models/mace_mp_small.model",
         filename="mace.model",
         cache_dir=tmp_path,
@@ -68,7 +68,7 @@ def test_download_fresh_file(tmp_path):
 
     # Construct a ModelData instance downloading a non-cached file
     # pylint:disable=line-too-long
-    model = ModelData.from_url(
+    model = ModelData.from_uri(
         url="https://github.com/stfc/janus-core/raw/main/tests/models/mace_mp_small.model",
         filename="mace.model",
         cache_dir=tmp_path,
@@ -85,15 +85,15 @@ def test_no_download_cached_file(tmp_path):
     """Test if the caching prevents saving duplicate model in the database."""
 
     # pylint:disable=line-too-long
-    existing_model = ModelData.from_url(
+    existing_model = ModelData.from_uri(
         url="https://github.com/stfc/janus-core/raw/main/tests/models/mace_mp_small.model",
         filename="mace_existing.model",
         cache_dir=tmp_path,
         architecture="mace_mp",
     )
     # Construct a ModelData instance that should use the cached file
     # pylint:disable=line-too-long
-    model = ModelData.from_url(
+    model = ModelData.from_uri(
         url="https://github.com/stfc/janus-core/raw/main/tests/models/mace_mp_small.model",
         cache_dir=tmp_path,
         filename="test_model.model",