Chris Proof of Principle

.gitignore

@@ -0,0 +1,4 @@
+.tox
+.vscode
+_build
+build

.readthedocs.yml

@@ -0,0 +1,8 @@
+version: 2
+
+conda:
+ environment: environment.yml
+
+sphinx:
+ builder: html
+ fail_on_warning: false

Makefile

@@ -0,0 +1,20 @@
+# Minimal makefile for Sphinx documentation
+#
+
+# You can set these variables from the command line, and also
+# from the environment for the first two.
+SPHINXOPTS ?=
+SPHINXBUILD ?= sphinx-build
+SOURCEDIR = source
+BUILDDIR = build
+
+# Put it first so that "make" without argument is like "make help".
+help:
+ @$(SPHINXBUILD) -M help "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O)
+
+.PHONY: help Makefile
+
+# Catch-all target: route all unknown targets to Sphinx using the new
+# "make mode" option. $(O) is meant as a shortcut for $(SPHINXOPTS).
+%: Makefile
+ @$(SPHINXBUILD) -M $@ "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O)

README.md

@@ -1,2 +1,8 @@
-# aiida-singledocs
+# aiida-blog
+
 Single page or other short miscelaneous documentation
+
+
+### To Do:
+
+* Autoinstall sphinx...

docs/conf.py

@@ -0,0 +1,116 @@
+# Configuration file for the Sphinx documentation builder.
+#
+
+# -- Project information -----------------------------------------------------
+
+project = "aiida-singledocs"
+copyright = "2020, Francisco Ramirez"
+author = "Francisco Ramirez, Chris Sewell"
+
+
+version = "0.0.1"
+release = version
+
+# -- General configuration ---------------------------------------------------
+
+needs_sphinx = "2.0"
+extensions = ["myst_nb", "sphinx_panels", "ablog", "sphinx.ext.intersphinx"]
+
+myst_admonition_enable = True
+myst_html_img_enable = True
+jupyter_execute_notebooks = "auto"
+
+blog_path = "stories/index"
+blog_title = "Stories"
+blog_post_pattern = ["stories/*.md", "stories/*.ipynb"]
+post_redirect_refresh = 1
+post_auto_excerpt = 2
+post_auto_image = 1
+fontawesome_included = True
+html_sidebars = {
+ "stories/index": ["tagcloud.html", "archives.html", "sbt-sidebar-nav.html"],
+ "stories/*": [
+ "sidebar-search-bs.html",
+ "postcard.html",
+ "recentposts.html",
+ "tagcloud.html",
+ "categories.html",
+ "archives.html",
+ "sbt-sidebar-nav.html",
+ "sbt-sidebar-footer.html",
+ ],
+}
+
+intersphinx_mapping = {
+ "aiida": ("http://aiida-core.readthedocs.io/en/latest/", None),
+}
+
+# The master toctree document.
+master_doc = "index"
+
+# List of patterns, relative to source directory, that match files and
+# directories to ignore when looking for source files.
+# This pattern also affects html_static_path and html_extra_path .
+exclude_patterns = ["_build", "Thumbs.db", ".DS_Store"]
+
+# The name of the Pygments (syntax highlighting) style to use.
+pygments_style = "sphinx"
+
+# -- Options for HTML output -------------------------------------------------
+
+html_theme = "sphinx_book_theme"
+# html_title = f"version: {version}"
+# html_favicon = "_static/quantum-mobile-v4-text-square.png"
+# html_logo = "_static/quantum_mobile_text_wide.png"
+html_theme_options = {
+ "home_page_in_toc": True,
+ "repository_url": "https://github.com/aiidateam/aiida-blog",
+ "repository_branch": "chris-branch",
+ "use_repository_button": True,
+ "use_issues_button": True,
+ "path_to_docs": "docs",
+ "use_edit_page_button": True,
+ "launch_buttons": {
+ "binderhub_url": "https://https://mybinder.org"
+ },
+}
+panels_add_bootstrap_css = False
+
+
+def start_aiida(*args):
+ from unittest import mock
+ import os
+ import subprocess
+
+ subprocess.check_call(["reentry", "scan"])
+ from aiida.manage.external import postgres
+ from aiida.manage.tests import _GLOBAL_TEST_MANAGER, BACKEND_DJANGO
+ from aiida.common.utils import Capturing
+ # this is required on READTHEDOCS, since the docker container only contains C.UTF-8
+ patch = mock.patch.object(
+ postgres,
+ "_CREATE_DB_COMMAND",
+ (
+ 'CREATE DATABASE "{}" OWNER "{}" ENCODING \'UTF8\' '
+ f"LC_COLLATE='{os.environ['LANG']}' LC_CTYPE='{os.environ['LANG']}' "
+ "TEMPLATE=template0"
+ ),
+ )
+
+ with Capturing(): # capture output of AiiDA DB setup
+ with patch:
+ _GLOBAL_TEST_MANAGER.use_temporary_profile(backend=BACKEND_DJANGO, pgtest=None)
+ from aiida.manage.configuration import settings
+
+ os.environ["AIIDA_PATH"] = settings.AIIDA_CONFIG_FOLDER
+
+
+def end_aiida(*args):
+ from aiida.manage.tests import _GLOBAL_TEST_MANAGER
+
+ _GLOBAL_TEST_MANAGER.destroy_all()
+
+
+def setup(app):
+ app.connect("builder-inited", start_aiida)
+ app.connect("build-finished", end_aiida)

docs/index.md

@@ -0,0 +1,16 @@
+# Welcome to AiiDA Stories
+
+This site contains a collection of stories inspired in real life situations and use-cases of AiiDA.
+You can use these stories to get a general feeling of what can be done with the code and what is like to work with it, as well as taking the procedures in them as templates for when you need to perform similar tasks.
+
+Each story will specify at the beginning which version of the [Quantum Mobile](https://www.materialscloud.org/work/quantum-mobile) was used in its design/tests.
+
+Using the correct virtual machine and creating a new profile that starts from a clean database (see the ``quicksetup`` command in the[`AiiDA documentation](https://aiida.readthedocs.io/projects/aiida-core/en/latest/intro/get_started.html#initialise-data-storage)) ensures the reproducibility of the commands if you want to test them out yourself.
+
+Any other further set-ups required (such as importing databases) will be described in the introduction of the story.
+
+```{toctree}
+:maxdepth: 1
+
+Stories <./stories/index>
+```