Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Add Github Action for pushing sdist, wheel on new release to PyPI #350

Open
dotsdl opened this issue Oct 2, 2024 · 4 comments
Open

Add Github Action for pushing sdist, wheel on new release to PyPI #350

dotsdl opened this issue Oct 2, 2024 · 4 comments
Assignees
Milestone

Comments

@dotsdl
Copy link
Member

dotsdl commented Oct 2, 2024

We currently don't push gufe to PyPI consistently, but should do this for the purposes of having the sources listed and installable from there. gufe is foundational to the OpenFE ecosystem, and many ecosystem packages in the future may only have it as their OpenFE dependency.

@dotsdl dotsdl added this to the Release 1.1 milestone Oct 2, 2024
@IAlibay
Copy link
Member

IAlibay commented Oct 2, 2024

@dotsdl we can't because we depend on some OpenFF things that aren't on pypi and as far as I'm aware aren't going to go on there.

@dotsdl
Copy link
Member Author

dotsdl commented Oct 3, 2024

Ah, fair enough, though I think it can still make sense even if we can't get installation of gufe via pip to pull in all its dependencies automatically. Thoughts @ianmkenney?

@IAlibay
Copy link
Member

IAlibay commented Oct 3, 2024

I'm not super keen on partial installs over pypi, but I want to hear/discuss more.

@dotsdl dotsdl mentioned this issue Oct 3, 2024
@dotsdl dotsdl self-assigned this Oct 4, 2024
@mikemhenry
Copy link
Contributor

What problem would this solve? If enough deps are on pypi for some sort of base install I could be convinced but I also don't like putting stuff on pypi that will give someone an import error as soon as they try and use it. If there is an operational reason to use pip, you can always do pip install git+https://https://github.com/OpenFreeEnergy/gufe.git@main (or some other tag/version) to install what would be on pypi.

We can also upload a package on pypi that just prints out a "you want to install this from conda-forge" if the issue is with the version being way out of date.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
Status: Upcoming Sprint - Queued
Development

No branches or pull requests

3 participants