pyproject.toml

[nichollsh]

The current documentation for PROTEUS has information on which packages need to be installed. This could be made easier by having a requirements.txt file. We could then simply run: conda install --file requirements.txt to get all of the packages, rather than having the user run a specific command.

[stefsmeets]

Or pip install -r requirements.txt. 😅

I think part of this discussion should also be to directly set up a (minimal) pyproject.toml. I think this should be preferred over requirements.txt