Update infrastructure

[timmens]

• Use hatch for packaging
• Add infrastructure to release both estimagic and optimagic
• Use mypy as pre-commit
• Replace black and nbqa by ruff
• Fix ruff warnings
• Add token PYPI_API_TOKEN_OPTIMAGIC as secret to repo

Open Questions:

1. Should we rename the old token secret from PYPI_API_TOKEN to PYPI_API_TOKEN_ESTIMAGIC. In this case we would need to create a new one.
   -> No
2. Find a better place than the new folder .scripts to store the python file update-name-in-pyproject.py. Proposal: Combine contents of .scripts folder with .envs folder in new folder called .ci.
   -> We will use .tools for everything now

mypy discussion

For now, I have opted to keep both the mypy pre-commit and the mypy GitHub Action task. Given tools like pre-commit CI, I see an advantage in not using the development environment for the hooks. However, since we are not entirely sure that this mypy call is doing the same thing that the mypy call from our dev environment is doing, I believe the GitHub Action task is necessary. Combined, we should (1) be able to gain some experience with pre-commit mypy, (2) ideally get quick errors before committing, and (3) be confident that all errors should be caught, at least after pushing.

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[janosg]

I sometimes get this warning when running pre-commits. Maybe you can fix it with your PR

warning: The top-level linter settings are deprecated in favour of their counterparts in the `lint` section. Please update the following options in `pyproject.toml`:
  - 'extend-ignore' -> 'lint.extend-ignore'
  - 'select' -> 'lint.select'
  - 'pydocstyle' -> 'lint.pydocstyle'
  - 'per-file-ignores' -> 'lint.per-file-ignores'

[janosg]

1. Should we rename the old token secret from PYPI_API_TOKEN to PYPI_API_TOKEN_ESTIMAGIC. In this case we would need to create a new one.

No, having PYPI_API_TOKEN and PYPI_API_TOKEN_OPTIMAGIC is clear enough and we don't need to spend time on the renaming.

Find a better place than the new folder .scripts to store the python file update-name-in-pyproject.py. Proposal: Combine contents of .scripts folder with .envs folder in new folder called .ci.

Yes, we should combine all pre-commit hooks in one folder but the resulting environment files should still stay in .envs. .ci is not a good name because we will soon have a lot more pre-commit hooks that are actually code generation tools and not related to quality assurance (see here for details). We might also have related pytest hooks. I am almost indifferent between the names .scripts and .tools but would not get more specific.

[janosg]

Looks very good. Thanks. Just minor comments.

[timmens]

Warning looks like this:

[janosg]

Thanks, very nice PR!