diff --git a/.readthedocs.yml b/.readthedocs.yml index bb991cc4..973aa8d8 100644 --- a/.readthedocs.yml +++ b/.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: . diff --git a/docs/source/conf.py b/docs/source/conf.py index d41e0afa..508474c9 100644 --- a/docs/source/conf.py +++ b/docs/source/conf.py @@ -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'] diff --git a/docs/source/index.rst b/docs/source/index.rst index 418b0230..a169ff55 100644 --- a/docs/source/index.rst +++ b/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: diff --git a/pyproject.toml b/pyproject.toml index ce6276a3..aa61b355 100644 --- a/pyproject.toml +++ b/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' diff --git a/src/aiida_common_workflows/utils/sphinx_extension/input_generator.py b/src/aiida_common_workflows/utils/sphinx_extension/input_generator.py index 7386a1ef..432e7b26 100644 --- a/src/aiida_common_workflows/utils/sphinx_extension/input_generator.py +++ b/src/aiida_common_workflows/utils/sphinx_extension/input_generator.py @@ -4,7 +4,7 @@ from aiida.common.utils import get_object_from_string from aiida.engine import Process -from aiida.manage.configuration import load_profile +from aiida.manage.configuration import load_config, load_profile from docutils import nodes from docutils.parsers.rst import directives from plumpy.ports import PortNamespace @@ -56,7 +56,7 @@ def initialize(self): Includes importing the process class. """ - + load_config(create=True) load_profile() self.class_name = self.arguments[0].split('(')[0]