datamol-io / molfeat

molfeat - the hub for all your molecular featurizers
https://molfeat.datamol.io
Apache License 2.0
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Clarify Installation Requirements to run tests locally #72

Closed JacksonBurns closed 11 months ago

JacksonBurns commented 11 months ago

📖 Documentation

To run the tests locally, I had to do a 'full' install, i.e. pip install -e .[full] from my cloned repo and manually install pytest. If this procedure could either be clarified in the contributors document, or a more minimal dev extras section (that includes pytest) could be added to the pyproject.toml, that would be helpful.

maclandrol commented 11 months ago

@JacksonBurns would you like to add that to your current PR ?

JacksonBurns commented 11 months ago

I'm not sure, is that the intended solution? If some of the dependencies are not required for testing it would be nice to have a minimal dev package, but I don't know enough about molfeat to say.

maclandrol commented 11 months ago

We use conda mainly to manage our environment and dependencies. I will clarify that, but adding alternative through pip is also a good idea.

maclandrol commented 11 months ago

https://github.com/datamol-io/molfeat/pull/75 should address this issue.