Pip Install ParaStell

[connoramoreno]

Rather than manually generate executables, put ParaStell on paths, etc., making ParaStell pip-installable would streamline much of the installation process.

See this tutorial on packaging. Most of this issue will be resolved by generating a pyproject.toml file: https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#writing-pyproject-toml

[paulromano]

@connoramoreno If you haven't started working on this, I can take a shot at putting together a pyproject.toml file

[connoramoreno]

@paulromano Please feel free! That would be very helpful

[Edgar-21]

We should look at including black formatting args in the pyproject.toml as well.

[MicahGale]

I could tackle this if you want. I'm thinking we should we tag this as "alpha" for now, so we can avoid semantic versioning for the time being. It sounds like too many breaking changes are occurring that doing major releases for each would be too much of a burden for now.

[MicahGale]

Also is there interest in setting up a GitHub action to deploy to PyPI?

[connoramoreno]

If you don't mind, that would be very helpful @MicahGale! Given the substantial changes that are typical for many ParaStell PRs, I think a GitHub action for PyPI would make sense, at least for the time being.

[MicahGale]

@connoramoreno I may ping you for metadata I can't find then.

[MicahGale]

I noticed this executable: https://github.com/svalinn/parastell/blob/main/executables/parastell. If I made this so you got a parastell command that you get when you install parastell, can we remove this? I may add a backup so you could also run python -m parastell to accomplish the same thing.

[connoramoreno]

It may be unnecessary to provide this context, but the primary (intended) way to use ParaStell functionality is via importing it as a module in a Python script. The parastell executable, in conjunction with a YAML file giving ParaStell input, is meant as an alternative for those who prefer a command-line interface or who want to pass around ParaStell input (without a script).

If it would be possible to accomplish the same functionality without the executable file, I'm open to it!

[MicahGale]

Sweet. I'll role with it then.