New updates detected with Cruft

.cruft.json

@@ -1,6 +1,6 @@
 {
   "template": "https://github.com/FAIRmat-NFDI/cookiecutter-nomad-plugin",
-  "commit": "d306850507a46af96b5ab71129582655ce534c86",
+  "commit": "89bf9fe1aa0a9a3fe74fd2af5ccc74d5ea974ced",
   "checkout": null,
   "context": {
     "cookiecutter": {
@@ -17,11 +17,15 @@
       "include_parser": true,
       "include_app": false,
       "include_example_uploads": true,
+      "include_action": true,
+      "include_north_tools": false,
+      "north_tool_name": "my_north_tool",
       "_copy_without_render": [
-        "*.html"
+        "*.html",
+        "*.png"
       ],
       "_template": "https://github.com/FAIRmat-NFDI/cookiecutter-nomad-plugin",
-      "_commit": "d306850507a46af96b5ab71129582655ce534c86"
+      "_commit": "89bf9fe1aa0a9a3fe74fd2af5ccc74d5ea974ced"
     }
   },
   "directory": null

.vscode/settings.json

@@ -1,6 +1,6 @@
 {
   "editor.rulers": [
-    90
+    88
   ],
   "editor.renderWhitespace": "all",
   "editor.tabSize": 4,

MANIFEST.in

@@ -1,2 +1 @@
-recursive-include * nomad_plugin.yaml
 graft src/nomad_plugin_parser_example/example_uploads

README.md

@@ -108,6 +108,9 @@ Read the [NOMAD plugin documentation](https://nomad-lab.eu/prod/v1/staging/docs/
 
 We now recommend using the dedicated [`nomad-distro-dev`](https://github.com/FAIRmat-NFDI/nomad-distro-dev) repository to simplify the process. Please refer to that repository for detailed instructions.
 
+## Publish note
+In the [GitHub actions workflow](./.github/workflows/publish.yml) for publishing the nomad_plugin_parser_example plugin to PyPI, we commented out the `deploy` job . If you want to publish the plugin to `PyPI`, you need to set up your project in `PyPI`. There are several online tutorials on publishing a Python package to PyPI, e.g., [How to Publish a Python Package to PyPI](https://realpython.com/pypi-publish-python-package/). After that, you can uncomment the `deploy` job in the workflow file and push the changes to GitHub. The workflow will be triggered and the package will be published to `PyPI` when you create a new release on GitHub.
+
 ### Template update
 
 We use [`cruft`](https://github.com/cruft/cruft) to update the project based on template changes. To run the check for updates locally, run `cruft update` in the root of the project. More details see the instructions on [`cruft` website](https://cruft.github.io/cruft/#updating-a-project).

mkdocs.yml

@@ -56,5 +56,4 @@ extra_css:
   - stylesheets/extra.css
 extra_javascript:
   - javascript.js
-  - https://polyfill.io/v3/polyfill.min.js?features=es6
   - https://cdn.jsdelivr.net/npm/mathjax@3/es5/tex-mml-chtml.js

pyproject.toml

@@ -25,16 +25,31 @@ maintainers = [
 ]
 license = { file = "LICENSE" }
 dependencies = [
-    "nomad-lab>=1.3.0",
-    "python-magic-bin; sys_platform == 'win32'",
+    "nomad-lab>=1.4.1",
+    "pydantic",
+    "temporalio"
 ]
 
 [project.urls]
 Repository = "https://github.com/ZBT-Tools/nomad_plugin_parser_example"
 
 [project.optional-dependencies]
-dev = ["ruff", "pytest", "structlog"]
+dev = [
+    "ruff",
+    "pytest",
+    "structlog",
+    "mkdocs",
+    "mkdocs-material==8.1.1",
+    "pymdown-extensions",
+    "mkdocs-click",
+    "pytest-asyncio",
+]
 
+[tool.uv]
+extra-index-url = [
+  "https://gitlab.mpcdf.mpg.de/api/v4/projects/2187/packages/pypi/simple",
+]
+
 [tool.ruff]
 # Exclude a variety of commonly ignored directories.
 exclude = [
@@ -82,13 +97,18 @@ select = [
 
 ignore = [
     "F403", # 'from module import *' used; unable to detect undefined names
+    "PLC0415", # `import` should be at the top-level of a file
+    "E501", # line too long
 ]
 
 fixable = ["ALL"]
 
 # Allow unused variables when underscore-prefixed.
 dummy-variable-rgx = "^(_+|(_+[a-zA-Z0-9_]*[a-zA-Z0-9]+?))$"
 
+[tool.ruff.lint.per-file-ignores]
+"__init__.py" = ["PLC0415"] # import-outside-top-level
+
 # this is entirely optional, you can remove this if you wish to
 [tool.ruff.format]
 # use single quotes for strings.
@@ -115,6 +135,8 @@ schema_package_entry_point = "nomad_plugin_parser_example.schema_packages:schema
 
 
 example_upload_entry_point = "nomad_plugin_parser_example.example_uploads:example_upload_entry_point"
+action_entry_point = "nomad_plugin_parser_example.actions:simple_action_entry_point"
+
 [tool.cruft]
 # Avoid updating workflow files, this leads to permissions issues
 skip = [".github/*"]

src/nomad_plugin_parser_example/actions/__init__.py

@@ -0,0 +1,3 @@
+from nomad_plugin_parser_example.actions.simple_action import simple_action_entry_point
+
+__all__ = ['simple_action_entry_point']

src/nomad_plugin_parser_example/actions/simple_action/__init__.py

@@ -0,0 +1,30 @@
+from nomad.actions import TaskQueue
+from pydantic import Field
+from temporalio import workflow
+
+with workflow.unsafe.imports_passed_through():
+    from nomad.config.models.plugins import ActionEntryPoint
+
+
+class SimpleActionEntryPoint(ActionEntryPoint):
+    task_queue: str = Field(
+        default=TaskQueue.CPU, description='Determines the task queue for this action'
+    )
+
+    def load(self):
+        from nomad.actions import Action
+
+        from nomad_plugin_parser_example.actions.simple_action.activities import greet
+        from nomad_plugin_parser_example.actions.simple_action.workflows import SimpleWorkflow
+
+        return Action(
+            task_queue=self.task_queue,
+            workflow=SimpleWorkflow,
+            activities=[greet],
+        )
+
+
+simple_action_entry_point = SimpleActionEntryPoint(
+    name='SimpleAction',
+    description='A simple action that returns a greeting.',
+)

src/nomad_plugin_parser_example/actions/simple_action/activities.py

@@ -0,0 +1,8 @@
+from temporalio import activity
+
+from nomad_plugin_parser_example.actions.simple_action.models import SimpleWorkflowInput
+
+
+@activity.defn
+async def greet(data: SimpleWorkflowInput) -> str:
+    return f'hello {data.name} - created by user {data.user_id} for upload {data.upload_id}'

src/nomad_plugin_parser_example/actions/simple_action/models.py

@@ -0,0 +1,15 @@
+from pydantic import BaseModel, Field
+
+
+class SimpleWorkflowInput(BaseModel):
+    """Input model for the simple workflow"""
+
+    upload_id: str = Field(
+        ...,
+        description='Unique identifier for the upload associated with the workflow.',
+    )
+    user_id: str = Field(
+        ..., description='Unique identifier for the user who initiated the workflow.'
+    )
+
+    name: str = Field(..., description='The name to greet.')

src/nomad_plugin_parser_example/actions/simple_action/workflows.py

@@ -0,0 +1,24 @@
+from datetime import timedelta
+
+from temporalio import workflow
+from temporalio.common import RetryPolicy
+
+with workflow.unsafe.imports_passed_through():
+    from nomad_plugin_parser_example.actions.simple_action.activities import greet
+    from nomad_plugin_parser_example.actions.simple_action.models import SimpleWorkflowInput
+
+
+@workflow.defn
+class SimpleWorkflow:
+    @workflow.run
+    async def run(self, data: SimpleWorkflowInput) -> str:
+        retry_policy = RetryPolicy(
+            maximum_attempts=3,
+        )
+        result = await workflow.execute_activity(
+            greet,
+            data,
+            start_to_close_timeout=timedelta(seconds=60),
+            retry_policy=retry_policy,
+        )
+        return result

tests/actions/test_action.py

@@ -0,0 +1,32 @@
+import pytest
+from temporalio.testing import WorkflowEnvironment
+from temporalio.worker import Worker
+
+from nomad_plugin_parser_example.actions.simple_action.activities import greet
+from nomad_plugin_parser_example.actions.simple_action.models import SimpleWorkflowInput
+from nomad_plugin_parser_example.actions.simple_action.workflows import SimpleWorkflow
+
+
+@pytest.mark.asyncio
+async def test_simple_workflow():
+    task_queue = 'test-simple-workflow'
+    async with await WorkflowEnvironment.start_local() as env:
+        async with Worker(
+            env.client,
+            task_queue=task_queue,
+            workflows=[SimpleWorkflow],
+            activities=[greet],
+        ):
+            result = await env.client.execute_workflow(
+                SimpleWorkflow.run,
+                SimpleWorkflowInput(
+                    upload_id='upload_id',
+                    user_id='user_id',
+                    name='World',
+                ),
+                id='test-workflow',
+                task_queue=task_queue,
+            )
+            assert (
+                result == 'hello World - created by user user_id for upload upload_id'
+            )