Skip to content
New issue

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

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

Already on GitHub? # to your account

Use Pixi for environment and task management #17

Draft
wants to merge 19 commits into
base: main
Choose a base branch
from
Draft

Conversation

Yoshanuikabundi
Copy link
Collaborator

At the moment, I'm using SOAP (Yoshanuikabundi/snakes_on_a_plane) to manage my environments and run tasks in them. Pixi is SOAP, but with a whole company and actual community behind it. This should streamline... everything... and also act as a demonstration for Pixi in OpenFF

@Yoshanuikabundi
Copy link
Collaborator Author

Yoshanuikabundi commented Jan 25, 2025

Getting branches from Git for packages already installed through Conda gives a cryptic error and fails:

Error:
  × failed to solve the pypi requirements of 'default' 'osx-arm64'
  ├─▶ failed to resolve pypi dependencies
  ╰─▶ Because there is no version of openff-toolkit==0.16.7 and you require openff-toolkit==0.16.7, we can
      conclude that your requirements are unsatisfiable.

See eg. https://github.com/openforcefield/openff-pablo/actions/runs/12964648253/job/36163562278#step:4:9

This has been reported (see linked issue), see that issue for details. Tl;dr wontfix, but git rebuilds for conda packages are planned.

@mattwthompson
Copy link
Member

Huh, based on the comment by the Prefix engineer, maybe this isn't possible unless everything is grabbed from PyPI? Just using one package from PyPI isn't a deal-breaker but I suspect that'll just bubble up the dependency tree

# for free to join this conversation on GitHub. Already have an account? # to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

2 participants