modify pages

.github/workflows/book.yml

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+name: Jupyterbook
+
+on:
+  push:
+    branches: [ main ]
+
+jobs:
+  build:
+
+    runs-on: ubuntu-latest
+    env:
+      CONDA_PREFIX: /usr/share/miniconda/
+
+    steps:
+    - uses: actions/checkout@v2
+    - uses: conda-incubator/setup-miniconda@v2
+      with:
+        python-version: "3.11"
+        mamba-version: "*"
+        channels: conda-forge,nodefaults
+        channel-priority: true
+        environment-file: environment.yml
+    - name: Install Jupyterbook
+      shell: bash -l {0}
+      run: |
+        pip install .
+        jupyter-book build . --path-output public
+    - run: mv public/_build/html public_html
+    - run: touch public_html/.nojekyll
+    - name: Deploy 🚀
+      uses: JamesIves/[email protected]
+      with:
+        GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
+        BRANCH: gh-pages # The branch the action should deploy to.
+        FOLDER: public_html # The folder the action should deploy.
+        CLEAN: true

_config.yml

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+# Book settings
+# Learn more at https://jupyterbook.org/customize/config.html
+
+title: "pyscal"
+#author: The Jupyter Book Community
+logo: docs/source/_static/logo.png
+
+# Force re-execution of notebooks on each build.
+# See https://jupyterbook.org/content/execute.html
+execute:
+  execute_notebooks: "auto"
+
+only_build_toc_files: true
+
+# Define the name of the latex output file for PDF builds
+latex:
+  latex_documents:
+    targetname: book.tex
+
+# Information about where the book exists on the web
+repository:
+  url: https://github.com/pyscal/intro.md
+  path_to_book: book
+  branch: main
+
+notebook_interface            : "notebook"
+
+# Add GitHub buttons to your book
+# See https://jupyterbook.org/customize/config.html#add-a-link-to-your-repository
+html:
+  use_issues_button: false
+  use_repository_button: true
+
+parse:
+  myst_enable_extensions:
+    # don't forget to list any other extensions you want enabled,
+    # including those that are enabled by default!
+    - html_image
+    - amsmath
+    - dollarmath
+    - linkify
+    - substitution
+    - colon_fence
+
+sphinx:
+  config:
+    mathjax_path: https://cdn.jsdelivr.net/npm/mathjax@3/es5/tex-mml-chtml.js
+    html_theme: pydata_sphinx_theme
+    html_theme_options:
+      navbar_start: []
+      navbar_center: []
+      navbar_end: []
+    html_js_files:
+      - https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js
+    html_sidebars:
+      "**": []

_toc.yml

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+# Table of contents
+# Learn more at https://jupyterbook.org/customize/toc.html
+
+format: jb-book
+root: content/intro
+

content/intro.md

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+# <font style="font-family:roboto;color:#455e6c;font-size:30px"> <b> Data analysis and workflows in Materials science </b> </font> </td>
+
+
+
+::::::{grid} 2
+:gutter: 3
+
+:::::{grid-item-card} pyscal  
+:columns: 6
+:link: https://docs.pyscal.org
+:img-top: /img/pyscal_v2_logo_1.png
+
+pyscal is a python module for the calculation of local atomic structural environments including Steinhardt's bond orientational order parameters during post-processing of atomistic simulation data. pyscal is written in C++ and python and has been used in over 30 scientific publications.
+:::::
+
+:::::{grid-item-card} pyscal3  
+:columns: 6
+:link: https://v3.pyscal.org
+:img-top: /img/pyscal_v3_logo_1.png
+
+pyscal3, a completely new pyscal which is faster and can handle a large number of atoms, with a much more user-friendly and intuitive interface. Adds more features such as more structure creation including grain boundaries, selection, and deletion of atoms.
+:::::
+
+:::::{grid-item-card} pyscal-rdf  
+:columns: 6
+:link: https://rdf.pyscal.org
+:img-top: /img/pyscal_rdf_logo_1.png
+
+pyscal_rdf is a python tool for ontology-based creation, manipulation, and quering of structures. pyscal_rdf combines the power of pyscal3 and the [Computational Material Sample Ontology (CMSO)](https://github.com/Materials-Data-Science-and-Informatics/cmso-ontology) to create annotated structures than be queried.
+:::::
+
+:::::{grid-item} 
+::::{grid} 1 1 1 1
+:gutter: 0
+
+:::{grid-item-card} rdfjobs  
+:columns: 12
+:link: https://github.com/pyscal/rdfjobs
+
+Extension package to pyscal-rdf that provides fully annotated simulation outputs using the workflow environment [pyiron](https://pyiron.org).
+:::
+::::
+:::::
+::::::

environment.yml

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+name: rdf
+channels:
+  - conda-forge
+dependencies:
+  - python >3.8
+  - jupyter-book
+  - plotly
+  - ipywidgets