Deploying to gh-pages from @ 2088598 🚀

Author: gkc1000

README.md

@@ -21,9 +21,11 @@ Pip install the following packages, which are also listed in `requirements.txt`:
 
 - pyscf
 - sphinx
-- sphinx-material
 - sphinxcontrib-bibtex
 - nbsphinx
+- pydata-sphinx-theme
+- myst-parser
+- sphinx_design
 
 If you have multiple versions of PySCF on your machine and you would like so use
 a specific version, set `PYTHONPATH` to include the specific PySCF source
@@ -59,45 +61,18 @@ Finally to serve the website, you can run:
  python -m http.server --directory build/html
 ```
 
+### Viewing a forked repo GitHub Pages
 
-### Adding Content to GitHub Pages
+The PySCF website is currently built and deployed to GitHub Pages any time a push is made to the master branch of the repository.
+The website is served out of the `docs/` directory of the `gh-pages` branch.
+This is all controlled by a GitHub Action in `.github/workflows/docs_deploy.yaml`.
+If you forked this repository and you want to view the website on your own GitHub Pages, make sure to enable Actions on your repository,
+because they are disabled in forks by default.
 
-If you want to show the latest version of the docs on GitHub pages, build using then instructions above. Then from `pyscf-doc/source` run the following:
+## How to contribute
 
-```bash
-make gh_pages_setup
-```
-
-## How to Contribute
-
-1.  Add a rst file \"your\_method.rst\" in the [source/user](source/user/) directory in which one describes the basic theory and usage of the method. Reference \"user/your\_method.rst\" in the \"toctree\" section in [source/user.rst](source/user.rst).
-2.  Add a rst file \"your\_module.rst\" in the [source/modules](source/modules/) directory in which one lists the examples and the member classes and functions of the module (the API doc is then generated by autodoc). (In the \"\_\_init\_\_.py\" file of each module, one should include a simple usage section. See [pyscf.dft.\_\_init\_\_.py](https://github.com/pyscf/pyscf/blob/master/pyscf/dft/__init__.py) as an example.) Reference \"your\_module.rst\" in the \"toctree\" section in [source/modules.rst](source/modules.rst).
-3.  Optionally, one could also add a rst file \"your\_method\_develop.rst\" in the  [source/develop](source/develop/) directory where one provides more detailed descriptions of the implementation and advanced guidelines for using and further development of the module. Reference \"your\_method\_develop.rst\" in [source/develop.rst](source/develop.rst). 
-
-
-<!-- ## Adding Blog Posts
+Website pages can be written in Markdown `.md` or reStructuredTest `.rst`.
 
-Create a new `.md` file in `pyscf-doc/source/posts` and add the following header (modified for your post):
-
-```
----
-blogpost: true
-date: February 1, 2021
-author: James Smith
-location: World
-category: Tutorial
-tags: HF, DFT, MCSCF
-language: English
----
-```
-
-If you want to write a post in `.rst` that's fine too! Just use the following in your header:
-
-```
-:blogpost: true
-:date: Oct 10, 2020
-:author: Nabil Freij
-:location: World
-:category: Manual
-:language: English
-``` -->
+1.  Add a rst (or md) file \"your\_method.rst\" in the [source/user](source/user/) directory in which one describes the basic theory and usage of the method. Reference \"user/your\_method.rst\" in the \"toctree\" section in [source/user.rst](source/user.rst).
+2.  Add a rst (or md) file \"your\_module.rst\" in the [source/modules](source/modules/) directory in which one lists the examples and the member classes and functions of the module (the API doc is then generated by autodoc). (In the \"\_\_init\_\_.py\" file of each module, one should include a simple usage section. See [pyscf.dft.\_\_init\_\_.py](https://github.com/pyscf/pyscf/blob/master/pyscf/dft/__init__.py) as an example.) Reference \"your\_module.rst\" in the \"toctree\" section in [source/modules.rst](source/modules.rst).
+3.  Optionally, one could also add a rst file \"your\_method\_develop.rst\" in the  [source/contributor](source/contributor/) directory where one provides more detailed descriptions of the implementation and advanced guidelines for using and further development of the module.

docs/.buildinfo

@@ -1,4 +1,4 @@
 # Sphinx build info version 1
 # This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
-config: 1881ce1e47f02ba9240198dfc7796feb
+config: 073858a82188a3da5694fb76d2b376d0
 tags: 645f666f9bcd5a90fca523b33c5a78b7