Test PyPI version via CI

luigibonati / mlcolvar

A unified framework for machine learning collective variables for enhanced sampling simulations

MIT License

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Test PyPI version via CI #146

Closed luigibonati closed 2 months ago

luigibonati commented 2 months ago

Description

Improve continuos integration via github actions and test also the PyPI version to identify dependency issues as in #143. Suggested by @andrrizzi in #144

Todos

Notable points that this PR has either accomplished or will accomplish.

[x] create new workflow for PyPI version
- [x] Install mlcolvar from pip
- [x] checkout to latest tag
[x] update CI to use latest actions (checkout/v4)

Status

[x] Ready to go

codecov[bot] commented 2 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 92.35%. Comparing base (8dff46b) to head (c765985).

Additional details and impacted files

luigibonati commented 2 months ago

I set up the tests and, with the latest pypi release, they are working correctly! I scheduled them to run weekly

if there are no comments I will merge it