Setup quantem.widget within monorepo setup, maintain identical uv quantem core dev experience

[bobleesj]

What this PR does

Closes #105

Please see the comment #105 (comment) on suggested mono folder structure and benefits

  quantem/
  ├── pyproject.toml         # Depends on quantem-widget
  ├── src/quantem/           # Main package
  ├── widget/                # Separate PyPI package
  │   ├── pyproject.toml
  │   ├── package.json
  │   ├── js/               
  │   └── src/quantem/widget/
  └── .github/workflows/
      ├── deploy.yml         # Main → PyPI (v0.1.7)
      └── deploy-widget.yml  # Widget → PyPI (v0.0.1)

Core quantem dev experience:

Case 1. I'm not a widget developer:

$ uv sync
$ uv run python -c "from quantem.widget import show4dstem"
  ModuleNotFoundError: No module named 'quantem.widget'

Case 2. I'm a widget developer:

$ uv sync --all-packages
$ cd widget
$ npm install
$ npm run dev

Start developing:

What PR reviewer(s) should do

Please review the PR and merge.

• Documentation (e.g., tutorials, examples, README) has been updated.

I will add subsequent PRs adding the widgets (react code and GitHub CI next).

Notebook:

widget_demo.ipynb

[bobleesj]

@gvarnavi this is ready for review.

[gvarnavi]

Thanks @bobleesj -- this looks good! Reviewed and checked uv workspace works well.

However, this doesn't answer the question of whether it solves our js/python bundling issues just yet. It'd be good to add a minimal working react widget to test before we merge this.

[bobleesj]

@gvarnavi ready for review - PR comment above updated

[gvarnavi]

Nice, very clean framework! Left some minor comments for future-proofing.

[gvarnavi]

Shouldn't these be?

packages = ["src/quantem/widget"]
artifacts = ["src/quantem/widget/static/**"]

[bobleesj]

For namespace package, packages = ["src/quantem"], this is correct. I've tested using Test PyPI:

mamba create -n qt-widget-env python=3.12
mamba activate qt-widget-env
pip install --index-url https://test.pypi.org/simple/ --extra-index-url https://pypi.org/simple/ quantem.widget

Ref: https://test.pypi.org/project/quantem.widget/

And yes, added ** under artifacts.

[bobleesj]

@gvarnavi Thanks George for the very detailed review. Please see the main commit made here: 8c9206d and it's working after I've uplaoded against that of TestPyPI: https://test.pypi.org/project/quantem.widget/

[bobleesj]

For namespace package, packages = ["src/quantem"], this is correct. I've tested using Test PyPI:

mamba create -n qt-widget-env python=3.12
mamba activate qt-widget-env
pip install --index-url https://test.pypi.org/simple/ --extra-index-url https://pypi.org/simple/ quantem.widget

Ref: https://test.pypi.org/project/quantem.widget/

And yes, added ** under artifacts.

[gvarnavi]

Great, thanks!

The only remaining thing is to automate the PyPi deployment using the stored PYPI_TOKEN. It's not immediately obvious to me how best to do that, since our current workflows are all branch-based, but we could maybe figure this out with the first release.

[bobleesj]

@gvarnavi yeah, I think once we have some useful features in the widget, we can start thinking of deployment things more in details. Created an issue above just to track things and re-visit later.