automatic releases on PyPi/conda

[kjappelbaum]

we should automate the releases on PyPi. There is a nice integration with PyPi and GitHub, such that one can have a GitHub action that creates a new PyPi release for every GitHub release.

It is, for instance, set up in the perla-extract package

[AdrianM0]

@r-fedorov maybe you can look into this?

i think it's here https://github.com/lamalab-org/perla-extract/tree/main/.github/workflows

[r-fedorov]

its in progress!

for conda though it can take some time, still waiting on pyopsin approval

[simonmb]

@AdrianM0, do you want me to open a PR on a version change on pyproject.toml? Similar to another of my projects? https://github.com/MoleculeResolver/molecule-resolver/blob/main/.github/workflows/ci.yml