Devops: Fix the ReadTheDocs build (#337)

* Fix the configuration to specify OS
* Update Python requirement to 3.9
* Update other requirements, such as `sphinx`
* Replace abandoned `sphinx-panels` with `sphinx-design`
* Remove `load_profile` from sphinx extension

Author: sphuber

.readthedocs.yml

@@ -1,11 +1,13 @@
 version: 2
 
 build:
+  os: ubuntu-22.04
+  tools:
+    python: '3.9'
   apt_packages:
   - gfortran      # This is necessary for the `sisl` dependency of `aiida-siesta`
 
 python:
-  version: 3.8
   install:
   - method: pip
     path: .

docs/source/conf.py

@@ -16,7 +16,7 @@
 
 # -- Project information -----------------------------------------------------
 
-project = 'AiiDA common workflows (ACWF)'
+project = 'ACWF'
 copyright = 'The AiiDA team.'
 author = 'The AiiDA team'
 
@@ -28,7 +28,7 @@
 # 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_copybutton', 'sphinx_panels', 'aiida.sphinxext', 'aiida_common_workflows.utils.sphinx_extension']
+extensions = ['sphinx_copybutton', 'sphinx_design', 'aiida.sphinxext', 'aiida_common_workflows.utils.sphinx_extension']
 
 # Add any paths that contain templates here, relative to this directory.
 templates_path = ['_templates']

docs/source/index.rst

@@ -23,35 +23,43 @@ In addition to the common interface, the workflows provide input generators that
 
 The common workflows can be subdivided into two categories:
 
+.. grid:: 1 2 2 2
+   :gutter: 2
 
-.. panels::
-   :body: bg-light text-center
-   :footer: bg-light border-0
+   .. grid-item-card:: :fa:`cogs;mr-1` **Base common workflows**
+      :text-align: center
+      :shadow: md
 
+      Workflows for basic material properties that define a common interface and are implemented for various quantum engines.
 
-   :fa:`cogs,mr-1` **Base common workflows**
+      +++++++++++++++++++++++++++++++++++++++++++++
 
-   Workflows for basic material properties that define a common interface and are implemented for various quantum engines.
+      .. button-ref:: workflows/base/index
+         :ref-type: doc
+         :click-parent:
+         :expand:
+         :color: primary
+         :outline:
 
-   +++++++++++++++++++++++++++++++++++++++++++++
+         To the base workflows
 
-   .. link-button:: workflows/base/index
-      :type: ref
-      :text: To the base workflows
-      :classes: btn-outline-primary btn-block stretched-link
+   .. grid-item-card:: :fa:`sitemap;mr-1` **Composite common workflows**
+      :text-align: center
+      :shadow: md
 
-   ----------------------------------------------
+      Higher-level workflows that reuse base common workflows in order to maintain the common interface.
 
-   :fa:`sitemap,mr-1` **Composite common workflows**
+      +++++++++++++++++++++++++++++++++++++++++++++
 
-   Higher-level workflows that reuse base common workflows in order to maintain the common interface.
+      .. button-ref:: workflows/composite/index
+         :ref-type: doc
+         :click-parent:
+         :expand:
+         :color: primary
+         :outline:
 
-   +++++++++++++++++++++++++++++++++++++++++++++
+         To the composite workflows
 
-   .. link-button:: workflows/composite/index
-      :type: ref
-      :text: To the composite workflows
-      :classes: btn-outline-primary btn-block stretched-link
 
 
 .. _how-to-submit:

pyproject.toml

@@ -66,13 +66,11 @@ requires-python = '>=3.9'
 
 [project.optional-dependencies]
 docs = [
-  'docutils~=0.15.2',
-  'pygments~=2.5',
-  'pydata-sphinx-theme~=0.4.0',
-  'sphinx~=3.2',
-  'sphinx-panels~=0.5.0',
-  'sphinxcontrib-details-directive~=0.1.0',
-  'sphinx-copybutton~=0.3.0'
+  'pydata-sphinx-theme~=0.14.3',
+  'sphinx~=7.2',
+  'sphinx-copybutton~=0.5.0',
+  'sphinx-design~=0.5.0',
+  'sphinxcontrib-details-directive~=0.1.0'
 ]
 pre-commit = [
   'pre-commit~=3.6'

src/aiida_common_workflows/utils/sphinx_extension/input_generator.py

@@ -4,7 +4,6 @@
 
 from aiida.common.utils import get_object_from_string
 from aiida.engine import Process
-from aiida.manage.configuration import load_profile
 from docutils import nodes
 from docutils.parsers.rst import directives
 from plumpy.ports import PortNamespace
@@ -56,9 +55,6 @@ def initialize(self):
 
         Includes importing the process class.
         """
-
-        load_profile()
-
         self.class_name = self.arguments[0].split('(')[0]
         self.module_name = self.options['module']
         self.process_name = f'{self.module_name}.{self.class_name}'