update docs styling

.github/workflows/build_docs.yml

@@ -8,6 +8,8 @@ on:
     branches:
       - next
 
+permissions: write-all
+
 jobs:
   deploy_docs:
     runs-on: ubuntu-latest

docs/requirements.txt

@@ -2,6 +2,7 @@ sphinx_design
 pydata_sphinx_theme
 sphinx
 autodoc-pydantic
+sphinx-copybutton
 -e ../qcportal
 -e ../qcfractalcompute
 -e ../qcfractal

docs/source/_static/css/custom.css

@@ -1,21 +1,21 @@
 @import "../basic.css";
 
 html[data-theme="light"] {
-    --pst-color-primary: #ed1c24;
+    --pst-color-primary: #0080C7;
 	--pst-color-warning: #ed1c24;
-	--pst-color-primary-highlight: #bc151b;
-	--pst-color-secondary: #1d35e7;
-	--pst-color-secondary-highlight: #3e51e3;
-
+	--pst-color-primary-highlight: #288ec5;
+	--pst-color-secondary: #ed1c24;
+	--pst-color-secondary-highlight: #bc151b;
 }
 
+
 html[data-theme="dark"] {
-    --pst-color-primary: #ed1c24;
+    --pst-color-primary: #0080C7;
 	--pst-color-warning: #ed1c24;
-	--pst-color-primary-highlight: #bc151b;
+	--pst-color-primary-highlight: #288ec5;
 	--pst-color-background: #1A1A1A;
-	--pst-color-secondary: #1d35e7;
-	--pst-color-secondary-highlight: #3e51e3;
+	--pst-color-secondary: #ed1c24;
+	--pst-color-secondary-highlight: #bc151b;
 
 
 }
@@ -44,21 +44,25 @@ html[data-theme="dark"] p .reference.internal {
 }
 
 html[data-theme="dark"] a:hover {
-	color: #ed1c24;
+	color: var(--pst-color-primary);
 }
 
 html[data-theme="dark"] .prev-next-area a p.prev-next-title {
     color: white;
 }
 
 html[data-theme="dark"] .prev-next-area:hover a:hover p.prev-next-title:hover {
-    color: #ed1c24;
+    color: var(--pst-color-primary);
 }
 
 html[data-theme="dark"] dt:target {
     background-color: #000000;
 }
 
+html[data-theme="light"] a:visited {
+	color: var(--pst-color-primary);
+}
+
 html .toctree-wrapper li[class^=toctree-l] {
 	list-style: circle;
 }
@@ -71,3 +75,9 @@ img:not(.logo__image, .footer_logo) {
 .footer_logo {
 	max-height: 60px;
 }
+
+
+.footer-items__start {
+	width: 100%;
+  }
+

docs/source/_templates/molssi_footer.html

@@ -35,6 +35,10 @@
         </p>
         {% endif %}
 
+        <p class="theme-version">
+        {% trans theme_version=theme_version|e %}Built with a customized <a href="https://pydata-sphinx-theme.readthedocs.io/en/stable/index.html">PyData Sphinx Theme</a> {{ theme_version }}.{% endtrans %}
+        </p>
+
     </div>
     <div class="col-2">
         <a href="https://nsf.gov/" target="_blank" title="Go to the NSF in a new tab">

docs/source/admin_guide/setup.rst

@@ -23,10 +23,14 @@ The QCFractal server can be installed via `conda/anaconda <https://www.anaconda.
 or `mamba <https://github.com/mamba-org/mamba>`_. The packages exist under the
 `QCArchive organization <https://anaconda.org/QCArchive>`_ on Anaconda.
 
-.. code-block:: bash
+.. tab-set::
 
-    $ conda create -n qcf_server qcfractal postgresql -c qcarchive/label/next
-    $ conda activate qcf_server
+  .. tab-item:: SHELL
+
+    .. code-block:: bash
+
+        conda create -n qcf_server qcfractal postgresql -c qcarchive/label/next
+        conda activate qcf_server
 
 
 Setting up the server
@@ -35,10 +39,14 @@ Setting up the server
 You generally want to keep all files related to the QCFractal server in a single directory.
 So we are going to create a directory, and then initialize a configuration file there.
 
-.. code-block:: bash
+.. tab-set::
+
+  .. tab-item:: SHELL
 
-    $ mkdir qcf_server
-    $ qcfractal-server --config=qcf_server/qcf_config.yaml init-config
+    .. code-block:: bash
+
+        mkdir qcf_server
+        qcfractal-server --config=qcf_server/qcf_config.yaml init-config
 
 This creates an example configuration file. You are now free to change those settings as
 needed - see :ref:`server_configuration`.
@@ -57,25 +65,37 @@ Some fields are likely to be changed
 Now we are ready to initialize the database. This creates the database directory structure and files,
 as well as the actual postgres database and tables for QCFractal.
 
-.. code-block:: bash
+.. tab-set::
+
+  .. tab-item:: SHELL
 
-    $ qcfractal-server --config=qcf_server/qcf_config.yaml init-db
+    .. code-block:: bash
+
+        qcfractal-server --config=qcf_server/qcf_config.yaml init-db
 
 
 Before starting the server, it doesn't hurt to check the configuration to make sure it matches
 your expectations.
 
-.. code-block:: bash
+.. tab-set::
+
+  .. tab-item:: SHELL
+
+    .. code-block:: bash
 
-    $ qcfractal-server --config=qcf_server/qcf_config.yaml info
+        qcfractal-server --config=qcf_server/qcf_config.yaml info
 
 
 Now we may start the server! This will run the server in the foreground, so you can not use your terminal anymore.
 You can place it in the background with **screen** or any other utilities if needed.
 
-.. code-block:: bash
+.. tab-set::
+
+  .. tab-item:: SHELL
+
+    .. code-block:: bash
 
-    $ qcfractal-server --config=qcf_server/qcf_config.yaml start
+        qcfractal-server --config=qcf_server/qcf_config.yaml start
 
 To stop a running server, you can use **Ctrl-C**.
 

docs/source/conf.py

@@ -46,6 +46,7 @@
     'sphinx.ext.napoleon',
     'sphinx_design',
     'sphinxcontrib.autodoc_pydantic',
+    'sphinx_copybutton'
 ]
 
 # Some options
@@ -95,7 +96,8 @@
   ],
 
     "secondary_sidebar_items": ["page-toc", "sourcelink"],
-    "footer_end": [ "molssi_footer" ],
+    "footer_start": [ "molssi_footer" ],
+    "footer_end": [],
 }
 
 html_css_files = ['css/custom.css']

docs/source/user_guide/client_setup.rst

@@ -8,10 +8,14 @@ The QCPortal package can be installed via `conda/anaconda <https://www.anaconda.
 or `mamba <https://github.com/mamba-org/mamba>`_. The packages exist under the
 `QCArchive organization <https://anaconda.org/QCArchive>`_ on Anaconda.
 
-.. code-block:: bash
+.. tab-set::
 
-    $ conda create -n qcportal qcportal -c qcarchive/label/next
-    $ conda activate qcportal
+  .. tab-item:: SHELL
+
+    .. code-block:: bash
+
+        conda create -n qcportal qcportal -c qcarchive/label/next
+        conda activate qcportal
 
 
 .. _qcportal_setup_configfile:
@@ -33,11 +37,15 @@ Single Server
 If you are only interested in a single server, then the configuration file can just
 contain the address and user information.
 
-.. code-block:: yaml
+.. tab-set::
+
+  .. tab-item:: CONFIG FILE
+
+    .. code-block:: yaml
 
-  address: https://qcademo.molssi.org
-  username: your_username
-  password: Secret_Password
+      address: https://qcademo.molssi.org
+      username: your_username
+      password: Secret_Password
 
 Multiple Servers
 ~~~~~~~~~~~~~~~~
@@ -46,17 +54,21 @@ If you are working with multiple servers, then the configuration file contains s
 the address and other options. The name is arbitrary and is for the user to
 differentiate between different servers.
 
-.. code-block:: yaml
+.. tab-set::
 
-    qca_demo_server:
-      address: https://qcademo.molssi.org
-      username: your_username
-      password: Secret_Password
+  .. tab-item:: CONFIG FILE
+
+    .. code-block:: yaml
 
-    group_server:
-      address: http://192.168.123.123:7777
-      username: your_username
-      password: Secret_Password
+        qca_demo_server:
+          address: https://qcademo.molssi.org
+          username: your_username
+          password: Secret_Password
+
+        group_server:
+          address: http://192.168.123.123:7777
+          username: your_username
+          password: Secret_Password
 
 The path to this file and the section name can passed to the
 :meth:`~qcportal.client.PortalClient.from_file` function.