Support more in-notebook configuration parameters

CHANGES.md

@@ -9,7 +9,8 @@
 * Tweak CWL format (#24)
 * Use micromamba entry point in Docker image (#26)
 * Allow setting of CWL workflow ID (#29)
-* Add in-notebook configuration interface (#30)
+* Support in-notebook configuration of workflow ID, environment file,
+  and container image tag (#30, #33)
 * Support writing of stage-out STAC by notebook (#32)
 
 ## Changes in 0.1.0

test/data/paramtest.ipynb

@@ -152,7 +152,11 @@
    "source": [
     "parameter_1 = my_constant * 2\n",
     "parameter_2 = \"default value\"\n",
-    "xcengine_config = dict(workflow_id=\"my-workflow\")"
+    "xcengine_config = dict(\n",
+    "    workflow_id=\"my-workflow\",\n",
+    "    environment_file=\"my-environment.yml\",\n",
+    "    container_image_tag=\"my-tag\",\n",
+    ")"
    ]
   }
  ],

test/test_core.py

@@ -42,7 +42,9 @@ def test_image_builder_init(init_mock, tmp_path, tag):
         assert abs(
             datetime.datetime.now(datetime.UTC)
             - pytz.utc.localize(
-                datetime.datetime.strptime(ib.tag, ImageBuilder.tag_format)
+                datetime.datetime.strptime(
+                    ib.tag, nb_path.stem + ":" + ImageBuilder.tag_format
+                )
             )
         ) < datetime.timedelta(seconds=10)
     else:
@@ -198,3 +200,19 @@ def test_script_creator_cwl(tmp_path, nb_name):
     assert workflow["id"] == (
         nb_path.stem if nb_name == "noparamtest" else "my-workflow"
     )
+
+
+def test_script_creator_notebook_config():
+    nb_path = pathlib.Path(__file__).parent / "data" / "paramtest.ipynb"
+    script_creator = ScriptCreator(nb_path)
+    config = script_creator.nb_params.config
+    assert config["environment_file"] == "my-environment.yml"
+    assert config["container_image_tag"] == "my-tag"
+
+
+def test_image_builder_notebook_config(tmp_path):
+    nb_path = pathlib.Path(__file__).parent / "data" / "paramtest.ipynb"
+    image_builder = ImageBuilder(nb_path, None, tmp_path, None)
+    config = image_builder.script_creator.nb_params.config
+    assert config["environment_file"] == "my-environment.yml"
+    assert config["container_image_tag"] == "my-tag"

xcengine/core.py

@@ -16,7 +16,7 @@
 import uuid
 import datetime
 from collections.abc import Mapping, Generator, Iterable
-from typing import Any
+from typing import Any, ClassVar
 
 import docker
 from docker.errors import BuildError
@@ -178,26 +178,49 @@ class ImageBuilder:
     runs a container initialized from that image.
     """
 
-    tag_format = "xcengine:%Y.%m.%d.%H.%M.%S"
+    tag_format: ClassVar[str] = "%Y.%m.%d.%H.%M.%S"
 
     def __init__(
         self,
         notebook: pathlib.Path,
-        environment: pathlib.Path,
+        environment: pathlib.Path | None,
         build_dir: pathlib.Path,
         tag: str | None,
     ):
         self.notebook = notebook
-        self.environment = environment
         self.build_dir = build_dir
+        self.script_creator = ScriptCreator(self.notebook)
+        nb_config = self.script_creator.nb_params.config
         if tag is None:
-            self.tag = datetime.datetime.now(datetime.UTC).strftime(
-                self.tag_format
-            )
-            LOGGER.info(f"No tag specified; using {self.tag}")
+            LOGGER.info("No tag specified; looking for one in the notebook.")
+            nb_tag = nb_config.get("container_image_tag", None)
+            if nb_tag is not None:
+                LOGGER.info(f"Using tag {nb_tag} from notebook.")
+                self.tag = nb_tag
+            else:
+                timestamp = datetime.datetime.now(datetime.UTC).strftime(
+                    self.tag_format
+                )
+                self.tag = f"{notebook.stem}:{timestamp}"
+                LOGGER.info(f"No tag in notebook; using {self.tag}")
         else:
             self.tag = tag
-        self.script_creator = ScriptCreator(self.notebook)
+
+        if environment is None:
+            LOGGER.info(
+                "No environment file specified; "
+                "looking for one in the notebook."
+            )
+            nb_env = nb_config.get("environment_file", None)
+            if nb_env is not None:
+                LOGGER.info(
+                    f"Using environment file {nb_tag} as specified in notebook."
+                )
+                self.environment = notebook.parent / nb_env
+            else:
+                LOGGER.info(f"No environment specified in notebook.")
+        else:
+            self.environment = environment
 
     def build(self) -> Image:
         self.script_creator.convert_notebook_to_script(self.build_dir)

xcengine/parameters.py

@@ -7,7 +7,7 @@
 import pystac
 import xarray as xr
 import yaml
-from typing_extensions import ClassVar
+from typing import ClassVar
 
 LOGGER = logging.getLogger(__name__)
 logging.basicConfig(level=logging.INFO)