conf.py

# -*- coding: utf-8 -*-
#
# Configuration file for the Sphinx documentation builder.
#
# This file does only contain a selection of the most common options. For a
# full list see the documentation:
# http://www.sphinx-doc.org/en/master/config

import datetime
import os
import sys

sys.path.insert(0, os.path.abspath('../../..'))
import qcfractal

# A little magic to make interface look like qcportal
import qcfractal.interface as qcportal
sys.modules["qcportal"] = qcportal

# -- Path setup --------------------------------------------------------------

# If extensions (or modules to document with autodoc) are in another directory,
# add these directories to sys.path here. If the directory is relative to the
# documentation root, use os.path.abspath to make it absolute, like shown here.
#
# import os
# import sys
# sys.path.insert(0, os.path.abspath('.'))


# -- Project information -----------------------------------------------------

project = 'QCPortal'
copyright = f'2018-{datetime.datetime.today().year}, The Molecular Sciences Software Institute'
author = 'The QCArchive Development Team'

# The short X.Y version
version = "5" #qcfractal.__version__
# The full version, including alpha/beta/rc tags
release = "5" #qcfractal.__version__


# -- General configuration ---------------------------------------------------

# If your documentation needs a minimal Sphinx version, state it here.
#
# needs_sphinx = '1.0'

# 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.ext.autodoc',
    'sphinx.ext.autosummary',
    'sphinx.ext.doctest',
    'sphinx.ext.todo',
    'sphinx.ext.coverage',
    'sphinx.ext.mathjax',
    'sphinx.ext.viewcode',
    'sphinx.ext.napoleon',
    'sphinx.ext.intersphinx',
    'sphinx.ext.extlinks',
    'sphinx_automodapi.automodapi',
    'sphinx_automodapi.automodsumm',
]

napoleon_google_docstring = False
napoleon_use_param = False
napoleon_use_ivar = True

# Add any paths that contain templates here, relative to this directory.
templates_path = ['_templates']

# The suffix(es) of source filenames.
# You can specify multiple suffix as a list of string:
#
# source_suffix = ['.rst', '.md']
source_suffix = '.rst'

# The master toctree document.
master_doc = 'index'

# Abbreviations
rst_epilog = """

.. color: #273896;">
.. |PSIfour| raw:: html

    <span style="font-family: Optima, sans-serif; text-transform: none;">P<span style="font-size: 82%;">SI</span>4</span>

.. |PSIfours| replace:: |PSIfour|\ 's
.. |qcarc| replace:: :file:`~/.qca/`
.. |dl| replace:: :math:`\Rightarrow`
"""

# The language for content autogenerated by Sphinx. Refer to documentation
# for a list of supported languages.
#
# This is also used if you do content translation via gettext catalogs.
# Usually you set "language" from the command line for these cases.
language = None

# 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 = []

# The name of the Pygments (syntax highlighting) style to use.
pygments_style = 'default'


# -- Keywords for HTML output -------------------------------------------------

# The theme to use for HTML and HTML Help pages.  See the documentation for
# a list of builtin themes.
#
try:
    import qcarchive_sphinx_theme
    html_theme = 'qcarchive_sphinx_theme'
except ModuleNotFoundError:
    html_theme = 'sphinx_rtd_theme'

# Theme options are theme-specific and customize the look and feel of a theme
# further.  For a list of options available for each theme, see the
# documentation.
#
# html_theme_options = {}

# 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']

# Custom sidebar templates, must be a dictionary that maps document names
# to template names.
#
# The default sidebars (for documents that don't match any pattern) are
# defined by theme itself.  Builtin themes are using these templates by
# default: ``['localtoc.html', 'relations.html', 'sourcelink.html',
# 'searchbox.html']``.
#
# html_sidebars = {}


# -- Keywords for HTMLHelp output ---------------------------------------------

# Output file base name for HTML help builder.
htmlhelp_basename = 'QCPortaldoc'


# -- Keywords for LaTeX output ------------------------------------------------

latex_elements = {
    # The paper size ('letterpaper' or 'a4paper').
    #
    # 'papersize': 'letterpaper',

    # The font size ('10pt', '11pt' or '12pt').
    #
    # 'pointsize': '10pt',

    # Additional stuff for the LaTeX preamble.
    #
    # 'preamble': '',

    # Latex figure (float) alignment
    #
    # 'figure_align': 'htbp',
}

# Grouping the document tree into LaTeX files. List of tuples
# (source start file, target name, title,
#  author, documentclass [howto, manual, or own class]).
latex_documents = [
    (master_doc, 'QCPortal.tex', 'QCPortal Documentation',
     'The QCArchive Development Team', 'manual'),
]


# -- Keywords for manual page output ------------------------------------------

# One entry per manual page. List of tuples
# (source start file, name, description, authors, manual section).
man_pages = [
    (master_doc, 'qcportal', 'QCPortal Documentation',
     [author], 1)
]


# -- Keywords for Texinfo output ----------------------------------------------

# Grouping the document tree into Texinfo files. List of tuples
# (source start file, target name, title, author,
#  dir menu entry, description, category)
texinfo_documents = [
    (master_doc, 'QCPortal', 'QCPortal Documentation',
     author, 'QCPortal', 'One line description of project.',
     'Miscellaneous'),
]



# -- Extension configuration -------------------------------------------------

extlinks = {
    'issue': ('https://github.com/MolSSI/QCPortal/issues/%s', 'GH#'),
    'pr': ('https://github.com/MolSSI/QCPortal/pull/%s', 'GH#')
}



# -- Keywords for intersphinx extension ---------------------------------------

# Example configuration for intersphinx: refer to the Python standard library.
#intersphinx_mapping = {'python': ('https://docs.python.org/3.7', None),
#                       'numpy': ('https://docs.scipy.org/doc/numpy/', None),
#                       'scipy': ('https://docs.scipy.org/doc/scipy/reference/', None),
#                       'matplotlib': ('https://matplotlib.org/', None),
#                       'qcelemental': ('https://qcelemental.readthedocs.io/en/latest/', None),
#                       'qcengine': ('https://qcengine.readthedocs.io/en/latest/', None),
#                      }

# -- Keywords for todo extension ----------------------------------------------

# If true, `todo` and `todoList` produce output, else they produce nothing.
todo_include_todos = True