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2 changes: 1 addition & 1 deletion .github/workflows/documentation.yml
Original file line number Diff line number Diff line change
Expand Up @@ -13,7 +13,7 @@ jobs:
- uses: actions/setup-python@v5
- name: Install dependencies
run: |
pip install sphinx sphinx_rtd_theme myst_parser
pip install sphinx sphinx_rtd_theme myst_parser sphinx_panels
- name: Sphinx build
run: |
sphinx-build doc _build
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2 changes: 1 addition & 1 deletion doc/conf.py
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Expand Up @@ -31,7 +31,7 @@
# extensions coming with Sphinx (named 'sphinx.ext.*') or your custom
# ones.
extensions = [
'sphinx.ext.autosectionlabel', 'sphinx_rtd_theme'
'sphinx.ext.autosectionlabel', 'sphinx_rtd_theme', 'sphinx_panels',
]

# Add any paths that contain templates here, relative to this directory.
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22 changes: 10 additions & 12 deletions doc/gallery.rst
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Expand Up @@ -7,26 +7,24 @@ EFP gallery
Gallery
=======

This gallery highlights the use of EFP to bridge the gap between chemistry, biology, and physics,
particularly in solving real-world challenges in drug design and photosynthesis. EFP plays a crucial
role in understanding and optimizing these complex processes by providing detailed insights into
This gallery highlights the use of EFP to bridge the gap between chemistry, biology, and physics,
particularly in solving real-world challenges in drug design and photosynthesis. EFP plays a crucial
role in understanding and optimizing these complex processes by providing detailed insights into
molecular interactions.

.. _Drug-design: https://www.drug_design.com

Drug-design_
^^^^^^^^^^^^
.. _Drug-design: https://www.drug_design.com
:ref:`Drug-design`
^^^^^^^^^^^^^^^^^^

.. image:: ../images/drug_design.png
:target: https://www.drug_design.com
:alt: Drug design
:width: 300

.. _Photosynthesis: file:///C:/Users/richm/libefp2.github.io/html/gallery_ref.html

Photosynthesis_
^^^^^^^^^^^^^^^

:ref:`Photosynthesis`
^^^^^^^^^^^^^^^^^^^^^
.. image:: ../images/photo.png
:target: file:///C:/Users/richm/libefp2.github.io/html/gallery_ref.html
:alt: Photosynthesis
:width: 300

28 changes: 0 additions & 28 deletions doc/gallery_ref.rst

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37 changes: 28 additions & 9 deletions doc/tutorials.rst
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Expand Up @@ -11,16 +11,35 @@ This section deals with running an EFP job on a non-covalently bonded system.

The steps to running an EFP calculation on a system are:

* Running MAKEFP job in software package GAMESS [1_]
* Obtaining EFP parameters from MAKEFP output [1_]
* Preparing LIBEFP input file [2_]
* Running EFP calculation in LIBEFP [2_]

.. dropdown:: Running MAKEFP job in software package GAMESS

This is explicitly shown in :ref:`parameters`

.. _1: file:///C:/Users/richm/libefp2.github.io/html/parameters.html
.. _2: file:///C:/Users/richm/libefp2.github.io/html/libefp_ref.html
.. dropdown:: Obtaining EFP parameters from MAKEFP output

Videos_
^^^^^^^
.. _Videos: file:///C:/Users/richm/libefp2.github.io/html/video_ref.html
Refer to :ref:`parameters`

.. dropdown:: Preparing LIBEFP input file

Refer to :ref:`running efp calculations`

.. dropdown:: Running EFP calculation in LIBEFP

Refer to :ref:`running efp calculations`




Videos
~~~~~~

.. dropdown:: See links to videos

`How to run MAKEFP job <https://youtu.be/orHN362tLjI?si=yGsAYYCeCTqhlyQt>`_

`How to submit MAKEFP input in GAMESS <https://youtu.be/auM76y2tdzw?si=dBOa5sSojKmn4cc7>`_

`Analyzing MAKEFP output <https://youtu.be/R2r_IrV6NbY?si=tgePy5k_UIpmVMpl>`_

`Obtaining EFP parameters and running EFP calculations in LIBEFP <https://youtu.be/oww9uGJmKX4?si=Ih-lwMZTIWO3cK4z>`_
47 changes: 0 additions & 47 deletions doc/video_ref.rst

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