Use `nbsphinx` to convert Jupytyer notebooks to Sphinx website - Githubissues

theochem / procrustes

Python library for finding the optimal transformation(s) that makes two matrices as close as possible to each other.

https://procrustes.qcdevs.org/

GNU General Public License v3.0

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Use `nbsphinx` to convert Jupytyer notebooks to Sphinx website #106

Closed FanwangM closed 3 years ago

FanwangM commented 3 years ago

In this PR, nbsphinx is used to host Jupyter notebook files for sphinx website. Main changes include

[x] Delete RST files and use notebooks instead
[x] Add Python syntax highlighting and add copy button
[x] Add binder badge to link to the interactive notebook
[x] Update configuration file, conf.py
[x] Fix equations in notebooks

Sorry for this PR as it's larger than unusual and maybe a little difficult to review. Therefore, I created a preview at https://procrustes-test.readthedocs.io/en/latest/.

[Edit] : I don't know if we need to have MyBinder badge to link the jupyter notebooks in the tutorial summary page. If you want to delete it, I can make one more commit to fix this. https://procrustes-test.readthedocs.io/en/latest/usr_doc_tutorials.html

This should fix #26. Thanks! @FarnazH @PaulWAyers @Ali-Tehrani

FanwangM commented 3 years ago

I think it looks great.

I don't know if this is already known but I couldn't install it from "pip install qc-procrustes" after doing "conda create -n myenv python=3.6", activating it and "conda install scipy". It says "ERROR: Could not find a version that satisfies the requirement qc-procrustes (from versions: none) ERROR: No matching distribution found for qc-procrustes".

Also, "conda install -c theochem procrustes" didn't work either, it couldn't find the package. I don't know much about pip or conda to fix these.

Thanks for trying it out. @Ali-Tehrani

We haven't released our package in PyPi or Conda. So you got all the errors. Should be OK after releasing our package.