Simplify docs and match stack to QE app

.readthedocs.yml

@@ -1,33 +1,10 @@
-version: 2
+sphinx:
+  configuration: docs/source/conf.py
 
 build:
   os: ubuntu-24.04
   tools:
-    python: miniconda3-3.12-24.1   # note that libmamba-solver is available since 22.1
-    nodejs: '20' # maybe need to be also miniconda
+    python: '3.11'
   jobs:
     post_create_environment:
-    # Not sure why but conda list shows
-    # typing-extensions         4.4.0                    pypi_0    pypi
-    # typing_extensions         4.15.0             pyhcf101f3_0    conda-forge
-    # I need to uninstall the one from pypi to avoid import error: cannot import name 'Sentinel' from 'typing_extensions'
-    # - conda list
-    - python -m pip uninstall -y typing-extensions
-    # - conda list
     - python -m pip install --no-cache-dir .[docs]
-    # - conda list
-    - rabbitmq-server -detached
-    - sleep 5
-    - rabbitmqctl start_app
-    - sleep 5
-    - rabbitmq-diagnostics status
-    - verdi presto
-    - verdi daemon start
-    - verdi status
-
-conda:
-  environment: docs/environment.yml
-
-# Build from the docs/ directory with Sphinx
-sphinx:
-  configuration: docs/source/conf.py

docs/source/conf.py

@@ -12,82 +12,66 @@
 #
 import os
 import sys
+import time
 
 sys.path.insert(0, os.path.abspath('../..'))
 
 
 # -- Project information -----------------------------------------------------
 
-project = 'AiiDAlab QE Wannier90 Plugin'
-copyright = '2025, AiiDAlab QE team'
-author = 'Xing Wang, xingwang1991@gmail.com'
+copyright_owners = 'The AiiDAlab Team'
+copyright_first_year = '2024'
+current_year = str(time.localtime().tm_year)
+copyright_year_string = (
+    current_year if current_year == copyright_first_year else f'{copyright_first_year}-{current_year}'
+)
+copyright = f'{copyright_year_string}, {copyright_owners}. All rights reserved'
 
-# version = ""
-
-# The master toctree document.
-master_doc = 'index'
 
+# The name of the Pygments (syntax highlighting) style to use.
+pygments_style = 'sphinx'
 
 # -- General configuration ---------------------------------------------------
 
 # Add any Sphinx extension module names here, as strings. They can be
 # extensions coming with Sphinx (named 'sphinx.ext.*') or your custom
 # ones.
 extensions = [
-    'sphinx_rtd_theme',
-    'sphinx.ext.autodoc',
-    'sphinx.ext.coverage',
-    'sphinx.ext.napoleon',
-    'sphinx.ext.viewcode',
-    'nbsphinx',
+    'sphinx_design',
 ]
 
 
 # Add any paths that contain templates here, relative to this directory.
 templates_path = ['_templates']
 
+# The master toctree document.
+master_doc = 'index'
 
 # -- Options for HTML output -------------------------------------------------
 
 # The theme to use for HTML and HTML Help pages.  See the documentation for
 # a list of builtin themes.
 #
 # html_theme = 'alabaste
-html_theme = 'furo'
+html_theme = 'pydata_sphinx_theme'
 
 # Add any paths that contain custom static files (such as style sheets) here,
 # relative to this directory. They are copied after the builtin static files,
 # so a file named "default.css" will overwrite the builtin "default.css".
 html_static_path = ['_static']
-html_css_files = [
-    'css/theme.css',
-]
+
+repo_url = 'https://github.com/aiidalab/aiidalab-qe-wannier90'
 
 html_theme_options = {
-    'source_repository': 'https://github.com/aiidaplugins/aiida-qe-xspec/',
+    'source_repository': repo_url,
     'source_branch': 'main',
     'source_directory': 'docs/source',
     'footer_icons': [
         {
             'name': 'GitHub',
-            'url': 'https://github.com/aiidaplugins/aiida-qe-xspec',
-            'html': """
-                <svg stroke="currentColor" fill="currentColor" stroke-width="0" viewBox="0 0 16 16">
-                    <path fill-rule="evenodd" d="M8 0C3.58 0 0 3.58 0 8c0 3.54 2.29 6.53 5.47
-7.59.4.07.55-.17.55-.38
-0-.19-.01-.82-.01-1.49-2.01.37-2.53-.49-2.69-.94-.09-.23-.48-.94-.82-1.13-.28-.15-.68-.52-.01-.53.63-.01
-1.08.58 1.23.82.72 1.21 1.87.87 2.33.66.07-.52.28-.87.51-1.07-1.78-.2-3.64-.89-3.64-3.95
-0-.87.31-1.59.82-2.15-.08-.2-.36-1.02.08-2.12 0 0 .67-.21 2.2.82.64-.18 1.32-.27 2-.27.68
-0 1.36.09 2 .27 1.53-1.04 2.2-.82 2.2-.82.44 1.1.16 1.92.08 2.12.51.56.82 1.27.82 2.15 0
-3.07-1.87 3.75-3.65 3.95.29.25.54.73.54 1.48 0 1.07-.01 1.93-.01 2.2 0 .21.15.46.55.38A8.013
-8.013 0 0 0 16 8c0-4.42-3.58-8-8-8z"></path>
-                </svg>
-            """,
-            'class': '',
+            'url': repo_url,
+            'icon': 'fa-brands fa-square-github',
+            'type': 'fontawesome',
         },
     ],
-    # "announcement": "<em>Important</em> announcement!",
 }
-
-# pygments_style = "colorful"
-# pygments_dark_style = "monokai"

docs/source/index.rst

@@ -29,6 +29,7 @@ If you use the package for research, please follow these links to:
 - `cite AiiDA Wannier90 workflow <https://github.com/aiidateam/aiida-wannier90-workflows>`_
 - `cite AiiDA <https://aiida.readthedocs.io/projects/aiida-core/en/latest/#how-to-cite>`_
 - `cite AiiDAlab <https://aiidalab.readthedocs.io/en/latest/index.html#how-to-cite>`_
+- `cite AiiDAlab Quantum ESPRESSO app <https://aiidalab-qe.readthedocs.io/#how-to-cite>`_
 - `cite Quantum ESPRESSO <https://www.quantum-espresso.org/Doc/user_guide/node6.html>`_
 - `cite Wannier90 <http://www.wannier.org/>`_
 

pyproject.toml

@@ -47,19 +47,9 @@ dev = [
   'pytest-regressions'
 ]
 docs = [
-  'myst-parser~=5.0',
-  'pydata-sphinx-theme~=0.17',
-  'sphinx~=9.0',
-  'sphinx-copybutton~=0.5',
-  'sphinx-click',
-  'sphinx-design~=0.7',
-  'sphinx-favicon',
-  "sphinx_rtd_theme~=3.1",
-  "sphinx-gallery~=0.20",
-  "nbsphinx~=0.9",
-  "ipython",
-  "ase",
-  "furo"
+  'sphinx~=4.5.0',
+  'sphinx-design~=0.4.1',
+  'pydata-sphinx-theme~=0.13.3'
 ]
 
 [project.urls]