Improved Testing and CI

[charlesknipp]

I created a very basic workflow for continuous integration. For now, it should run for PRs to main as well as commits to main, but we can change that however we like.

Since I am relatively new to setuptools there are a handful of items I would like to take care of before closing this PR:

• automate building and publishing to PyPI
• read requirements from setup.cfg instead of hard-coding dependencies in the workflow action

Let me know if there's anything else I should account for, or if there's anything I can better streamline.

[mrognlie]

This is great! I'm not very familiar with CI workflows, so I'm not qualified to say much about main.yml, although it looks good to me.

On your remaining items: I guess right now we have requirements listed in pyproject.toml and not setup.cfg, but I assume the latter reads them? (I also know next to nothing about Python packaging. :) ) It would be great to have everything integrated so that the CI is consistent with the requirements, although perhaps in an ideal world the CI would run with both the oldest allowed version and the newest version of the required packages (which for us are just Numpy, Scipy, and Numba) to make sure there are no incompatibilities on either end. (I don't know if such a thing is common?)

In terms of publishing automatically to pip, this also sounds great, with the caveat that I think we should do so when we have a new "release" on GitHub. (I assume that's the norm?)

Thanks and great to have you on board!

[charlesknipp]

I got setuptools to work for both the build and the testing environtment, so any package dependencies are read directly from the setup.cfg

[bbardoczy]

Thanks, @charlesknipp! This looks great to me. I tried one test. Install the package locally on a fresh conda environment and a run a few notebooks from different projects. That works.