deriva-ml 1.14.42__tar.gz → 1.14.43__tar.gz

{deriva_ml-1.14.42 → deriva_ml-1.14.43}/PKG-INFO

@@ -1,14 +1,16 @@
 Metadata-Version: 2.4
 Name: deriva-ml
-Version: 1.14.42
+Version: 1.14.43
 Summary: Utilities to simplify use of Dervia and Pandas to create reproducable ML pipelines
 Author-email: ISRD <isrd-dev@isi.edu>
 Requires-Python: >=3.10
 Description-Content-Type: text/markdown
 License-File: LICENSE
 Requires-Dist: bump-my-version
+Requires-Dist: bdbag
 Requires-Dist: deriva~=1.7.10
 Requires-Dist: deepdiff
+Requires-Dist: nbconvert
 Requires-Dist: pandas
 Requires-Dist: regex~=2024.7.24
 Requires-Dist: pydantic>=2.11

{deriva_ml-1.14.42 → deriva_ml-1.14.43}/pyproject.toml

@@ -9,8 +9,10 @@ readme = "README.md"
 requires-python = ">=3.10"
 dependencies = [
     "bump-my-version",
+    "bdbag",
     "deriva~=1.7.10",
     "deepdiff",
+    "nbconvert",
     "pandas",
     "regex~=2024.7.24",
     "pydantic>=2.11",
@@ -40,6 +42,11 @@ build-backend = "setuptools.build_meta"
 
 [tool.uv]
 
+[tool.uv.sources]
+bdbag = {git = "https://github.com/fair-research/bdbag", branch = "master" }
+deriva = {git = "https://github.com/informatics-isi-edu/deriva-py", branch = "master" }
+
+
 [tool.setuptools.package-data]
 deriva_ml = ["schema/*.json"]
 

{deriva_ml-1.14.42 → deriva_ml-1.14.43}/src/deriva_ml/dataset/upload.py

@@ -296,6 +296,7 @@ def upload_directory(model: DerivaModel, directory: Path | str) -> dict[Any, Fil
 
         with spec_file.open("w+") as cfile:
             json.dump(bulk_upload_configuration(model), cfile)
+        print("Creating GenericUploader...")
         uploader = GenericUploader(
             server={
                 "host": model.hostname,
@@ -306,7 +307,7 @@ def upload_directory(model: DerivaModel, directory: Path | str) -> dict[Any, Fil
         )
         try:
             uploader.getUpdatedConfig()
-            uploader.scanDirectory(directory)
+            uploader.scanDirectory(directory, purge_state=True)
             results = {
                 path: FileUploadState(
                     state=UploadState(result["State"]),
@@ -317,6 +318,7 @@ def upload_directory(model: DerivaModel, directory: Path | str) -> dict[Any, Fil
             }
         finally:
             uploader.cleanup()
+            print(f"Cleanup called...{uploader}")
         return results
 
 

{deriva_ml-1.14.42 → deriva_ml-1.14.43}/src/deriva_ml/execution/execution.py

@@ -236,6 +236,7 @@ class Execution:
         Raises:
             DerivaMLException: If initialization fails or configuration is invalid.
         """
+
         self.asset_paths: list[AssetFilePath] = []
         self.configuration = configuration
         self._ml_object = ml_object
@@ -378,6 +379,9 @@ class Execution:
             # save runtime env
             self._save_runtime_environment()
 
+            # Now upload the files so we have the info in case the execution fails.
+            self.uploaded_assets = self._upload_execution_dirs()
+
         self.start_time = datetime.now()
         self.update_status(Status.pending, "Initialize status finished.")
 
@@ -886,10 +890,10 @@ class Execution:
 
         file_name = Path(file_name)
         asset_path = asset_file_path(
-            self._working_dir,
-            self.execution_rid,
-            self._model.name_to_table(asset_name),
-            file_name.name,
+            prefix=self._working_dir,
+            exec_rid=self.execution_rid,
+            asset_table=self._model.name_to_table(asset_name),
+            file_name=file_name.name,
             metadata=kwargs,
         )
 

{deriva_ml-1.14.42 → deriva_ml-1.14.43}/src/deriva_ml/execution/workflow.py

@@ -318,7 +318,7 @@ class Workflow(BaseModel):
             ]
             # Get the caller's filename, which is two up the stack from here.
             filename = Path(stack[-1])
-            if not (filename.exists() or Workflow._in_repl()):
+            if not (filename.exists()) or Workflow._in_repl():
                 # Being called from the command line interpreter.
                 filename = Path.cwd() / Path("REPL")
             # Get the caller's filename, which is two up the stack from here.

{deriva_ml-1.14.42 → deriva_ml-1.14.43}/src/deriva_ml/run_notebook.py

@@ -6,11 +6,13 @@ import tempfile
 from datetime import datetime
 from pathlib import Path
 
+import nbformat
 import papermill as pm
 import regex as re
 from deriva.core import BaseCLI
+from nbconvert import HTMLExporter
 
-from deriva_ml import DerivaML, ExecAssetType, MLAsset, Workflow
+from deriva_ml import DerivaML, ExecAssetType, Execution, ExecutionConfiguration, MLAsset, Workflow
 
 
 class DerivaMLRunNotebookCLI(BaseCLI):
@@ -120,8 +122,8 @@ class DerivaMLRunNotebookCLI(BaseCLI):
         os.environ["DERIVA_ML_WORKFLOW_URL"] = url
         os.environ["DERIVA_ML_WORKFLOW_CHECKSUM"] = checksum
         os.environ["DERIVA_ML_NOTEBOOK_PATH"] = notebook_file.as_posix()
-
         with tempfile.TemporaryDirectory() as tmpdirname:
+            print(f"Running notebook {notebook_file.name} with parameters:")
             notebook_output = Path(tmpdirname) / Path(notebook_file).name
             pm.execute_notebook(
                 input_path=notebook_file,
@@ -130,6 +132,7 @@ class DerivaMLRunNotebookCLI(BaseCLI):
                 kernel_name=kernel,
                 log_output=log,
             )
+            print(f"Notebook output saved to {notebook_output}")
             catalog_id = execution_rid = None
             with Path(notebook_output).open("r") as f:
                 for line in f:
@@ -143,25 +146,51 @@ class DerivaMLRunNotebookCLI(BaseCLI):
             if not execution_rid:
                 print("Execution RID not found.")
                 exit(1)
-            print("Uploaded notebook output for Execution RID:", execution_rid)
 
-            ml_instance = DerivaML(hostname=hostname, catalog_id=catalog_id)
+            ml_instance = DerivaML(hostname=hostname, catalog_id=catalog_id, working_dir=tmpdirname)
+            workflow_rid = ml_instance.retrieve_rid(execution_rid)["Workflow"]
+
+            execution = Execution(
+                configuration=ExecutionConfiguration(workflow=workflow_rid),
+                ml_object=ml_instance,
+                reload=execution_rid,
+            )
+
+            # Generate an HTML version of the output notebook.
+            nb = nbformat.read(notebook_output, as_version=4)
+            html_exporter = HTMLExporter(template_name="classic")
+            body, resources = html_exporter.from_notebook_node(nb)
+            notebook_output_html = notebook_output.with_suffix(".html")
+            notebook_output_html.write_text(body, encoding="utf-8")
 
-            execution = ml_instance.restore_execution(execution_rid)
             execution.asset_file_path(
                 asset_name=MLAsset.execution_asset,
                 file_name=notebook_output,
                 asset_types=ExecAssetType.notebook_output,
             )
+
+            execution.asset_file_path(
+                asset_name=MLAsset.execution_asset,
+                file_name=notebook_output_html,
+                asset_types=ExecAssetType.notebook_output,
+            )
+            execution.asset_file_path(
+                asset_name=MLAsset.execution_asset,
+                file_name=notebook_output_html,
+                asset_types=ExecAssetType.notebook_output,
+            )
+            print("parameter....")
+
             parameter_file = execution.asset_file_path(
                 asset_name=MLAsset.execution_asset,
                 file_name=f"notebook-parameters-{datetime.now().strftime('%Y%m%d-%H%M%S')}.json",
                 asset_types=ExecAssetType.input_file.value,
             )
+
             with Path(parameter_file).open("w") as f:
                 json.dump(parameters, f)
-
             execution.upload_execution_outputs()
+
             print(ml_instance.cite(execution_rid))
 
 
@@ -178,4 +207,8 @@ def main():
 
 
 if __name__ == "__main__":
-    main()
+    try:
+        main()
+    except Exception as e:
+        print(e)
+        exit(1)

{deriva_ml-1.14.42 → deriva_ml-1.14.43}/src/deriva_ml/schema/create_schema.py

@@ -309,7 +309,12 @@ def initialize_ml_schema(model: Model, schema_name: str = "deriva-ml"):
                 "Description": "A file generated by an execution",
             },
             {"Name": "File", "Description": "A file that is not managed by Hatrac"},
+            {"Name": "Input_File", "Description": "A file input to an execution."},
             {"Name": "Model_File", "Description": "The ML model."},
+            {
+                "Name": "Notebook_Output",
+                "Description": "A Jupyter notebook with output cells filled from an execution.",
+            },
         ],
         defaults={"ID", "URI"},
     )

{deriva_ml-1.14.42 → deriva_ml-1.14.43}/src/deriva_ml.egg-info/PKG-INFO

@@ -1,14 +1,16 @@
 Metadata-Version: 2.4
 Name: deriva-ml
-Version: 1.14.42
+Version: 1.14.43
 Summary: Utilities to simplify use of Dervia and Pandas to create reproducable ML pipelines
 Author-email: ISRD <isrd-dev@isi.edu>
 Requires-Python: >=3.10
 Description-Content-Type: text/markdown
 License-File: LICENSE
 Requires-Dist: bump-my-version
+Requires-Dist: bdbag
 Requires-Dist: deriva~=1.7.10
 Requires-Dist: deepdiff
+Requires-Dist: nbconvert
 Requires-Dist: pandas
 Requires-Dist: regex~=2024.7.24
 Requires-Dist: pydantic>=2.11

{deriva_ml-1.14.42 → deriva_ml-1.14.43}/src/deriva_ml.egg-info/requires.txt

@@ -1,6 +1,8 @@
 bump-my-version
+bdbag
 deriva~=1.7.10
 deepdiff
+nbconvert
 pandas
 regex~=2024.7.24
 pydantic>=2.11

{deriva_ml-1.14.42 → deriva_ml-1.14.43}/tests/execution/test_execution.py

@@ -7,8 +7,6 @@ from pathlib import Path
 from tempfile import TemporaryDirectory
 
 from deriva_ml import (
-    BuiltinTypes,
-    ColumnDefinition,
     DatasetSpec,
     DerivaML,
     ExecAssetType,
@@ -101,6 +99,9 @@ class TestWorkflow:
         workflow_url = workflows[0]["URL"]
         assert workflow_url.endswith("workflow-test.ipynb")
 
+        # Check to make sure that result notebook and HTML version got uploaded.
+        execution_assets = ml_instance.list_assets("Execution_Asset")
+
 
 class TestExecution:
     def test_execution_no_download(self, test_ml):
@@ -193,43 +194,6 @@ class TestExecution:
             assert 1 == len(execution.datasets)
             assert execution.datasets[0].dataset_rid == dataset_rid
 
-    def test_download_asset(self, test_ml, tmp_path):
-        ml_instance = test_ml
-
-        # Create a workflow
-        ml_instance.add_term(vc.asset_type, "Test Model", description="Model for our Test workflow")
-        ml_instance.add_term(vc.workflow_type, "Test Workflow", description="A ML Workflow that uses Deriva ML API")
-        api_workflow = ml_instance.create_workflow(
-            name="Test Workflow One",
-            workflow_type="Test Workflow",
-            description="A test operation",
-        )
-        ml_instance.create_asset(
-            "BarAsset",
-            column_defs=[ColumnDefinition(name="foo", type=BuiltinTypes.int4)],
-        )
-        manual_execution = ml_instance.create_execution(
-            ExecutionConfiguration(description="Sample Execution", workflow=api_workflow)
-        )
-
-        with manual_execution.execute() as execution:
-            model_file = execution.asset_file_path(
-                "BarAsset", "API_Model/modelfile.txt", asset_types=ExecAssetType.model_file, foo=23
-            )
-            print(model_file)
-            with model_file.open("w") as fp:
-                fp.write("My model")
-            # Now upload the file and retrieve the RID of the new asset from the returned results.
-        uploaded_assets = manual_execution.upload_execution_outputs()
-        print(uploaded_assets)
-        assert 1 == len(uploaded_assets["deriva-ml/Execution_Asset"])
-
-        file = manual_execution.download_asset(asset_rid, tmpdir, update_catalog=False)
-        assert file.name == "modelfile.txt"
-
-        assert "BarAsset" in [a.name for a in ml_instance.model.find_assets()]
-        assert ml_instance.model.asset_metadata("BarAsset") == {"foo"}
-
     @staticmethod
     def create_execution_asset(ml_instance: DerivaML, api_workflow):
         manual_execution = ml_instance.create_execution(

{deriva_ml-1.14.42 → deriva_ml-1.14.43}/tests/execution/workflow-test.ipynb

@@ -17,7 +17,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "from deriva_ml import DerivaML, MLVocab as vc\n",
+    "from deriva_ml import DerivaML, MLVocab as vc, ExecutionConfiguration\n",
     "import os"
    ]
   },
@@ -66,7 +66,13 @@
     "     workflow_type=\"Test Workflow\",\n",
     "     description=\"A test operation\",\n",
     " )\n",
-    "rid = ml_instance.add_workflow(api_workflow)"
+    "rid = ml_instance.add_workflow(api_workflow)\n",
+    "\n",
+    "execution_config = ExecutionConfiguration(description=\"Sample Execution\", workflow=api_workflow)\n",
+    "execution = ml_instance.create_execution(execution_config)\n",
+    "with execution.execute() as e:\n",
+    "    pass\n",
+    "execution.upload_execution_outputs()\n"
    ]
   }
  ],