Maximilian Scheurer

I fixed the project settings for test.pypi and normal pypi 😁 ~Should the pypa action be named `uses: pypa/gh-action-pypi-publish@release/v1`?~ NVM, I noticed I can commit to your branch myself.

Looks like we cannot deploy from the fork: https://github.com/maxscheurer/cppe/actions/runs/10159733886/job/28095059187?pr=44 Any idea what to do? Should we merge this and open a separate PR to try the deployment?

> Once we know it works I can patch the workflow to only run on releases Yes, only on releases and deployment to the real pypi, not the test one...

> Yes, setuptools-scm takes the tag and computes the version like versioneer does (as in psi4) So to make a release it's enough to tag it on GitHub. Thanks for...

I think I need to push a tag to try the PyPI upload: https://github.com/maxscheurer/cppe/actions/runs/10193155306/job/28197630303

Should the tag be `0.3.3a0` or `v0.3.3a0`?

Fingers crossed then...

Related to #16

If you rebase this against the current `master` branch, the pipeline should (hopefully) run.

I still don't fully understand the purpose of this PR. What do you mean by "not accessible" from the `adcc` module? In your project, you could just import from sub-modules...