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natedey / RINRUS

Residue Interaction Network ResidUe Selector
MIT License
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installation instructions need to be improved to eliminate path or pythonpath dependencies #28

Open natedey opened 1 year ago

natedey commented 1 year ago

The group is still struggling with python library and path dependencies for both RINRUS and DeYonker-lab-script code. All hard-coded paths must be removed. All library dependencies must be addressed so that RINRUS universally works.

berquist commented 1 year ago

I use https://github.com/MolSSI/cookiecutter-cms/ for all new Python projects and it is relatively easy to adapt existing code to its format. It isn't necessary to use this to make a "proper" Python package but it's convenient if you've never made one before. https://packaging.python.org/en/latest/ is another good reference. It is also possible to have an "in place" development installation in a virtual environment.

Is this something you'd be interested in? If you ever want to publish the code to PyPI or conda-forge, it will need to be a proper package. I'd be happy to do this.

natedey commented 1 year ago

Thanks @berquist! Hope you're doing well these days. We appreciate your ideas and we will look into the cookiecutter git. Qianyi was already considering how to create a virtual env. She and the new postdoc, Taylor, are going to work on it. We'll let you know if we need help or feedback.