OpenFreeEnergy / OpenFreeEnergy/openfe

Proposal: make imports to anything from OpenFF utilities only inside an OpenFE utilities so we can synchronously change behaviour in a single place

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Dominant language
Python
Stars
331
Forks
56
Avg merge
3d 9h
Merged PRs (30d)
13

Description

This is a larger discussion to be had offline, but opening an issue so we know we need to discuss it.

Contributor guide

Open the contributing guide

First steps

  1. Read the whole issue, then the project's contributing guide.
  2. Comment on the issue to say you are picking it up — it saves two people doing the same work.
  3. Fork the repository and make your change on a branch.
  4. Open a pull request that references the issue number.

Research direction

The issue proposes discussing how imports from OpenFF utilities should be confined to OpenFE utilities, but names no files, tests, or entry points. Start by reviewing the repository's utility modules and import patterns after the offline discussion establishes the intended boundary; completion criteria are not yet defined.

Written by the indexing model from the issue text.

Assessment

Tech stack
python
Domain
tooling
Issue type
Refactor
Difficulty
5/5
Estimated time
Over a week
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
20/100

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