Merge pull request #5 from njzjz/doc

add document

doc/.gitignore

@@ -0,0 +1,41 @@
+# sphinx build folder
+_build
+
+# Compiled source #
+###################
+*.com
+*.class
+*.dll
+*.exe
+*.o
+*.so
+
+# Packages #
+############
+# it's better to unpack these files and commit the raw source
+# git has its own built in compression methods
+*.7z
+*.dmg
+*.gz
+*.iso
+*.jar
+*.rar
+*.tar
+*.zip
+
+# Logs and databases #
+######################
+*.log
+*.sql
+*.sqlite
+
+# OS generated files #
+######################
+.DS_Store?
+ehthumbs.db
+Icon?
+Thumbs.db
+
+# Editor backup files #
+#######################
+*~

doc/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     = .
+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)

doc/api.rst

@@ -0,0 +1,58 @@
+DPDispatcher API
+===============
+
+.. toctree::
+   :maxdepth: 2
+   :caption: Contents:
+
+.. automodule:: dpdispatcher.ALI
+   :members:
+   :undoc-members:
+
+.. automodule:: dpdispatcher.AWS
+   :members:
+   :undoc-members:
+
+.. automodule:: dpdispatcher.Batch
+   :members:
+   :undoc-members:
+
+.. automodule:: dpdispatcher.Dispatcher
+   :members:
+   :undoc-members:
+
+.. automodule:: dpdispatcher.DispatcherList
+   :members:
+   :undoc-members:
+
+.. automodule:: dpdispatcher.JobStatus
+   :members:
+   :undoc-members:
+
+.. automodule:: dpdispatcher.LSF
+   :members:
+   :undoc-members:
+
+.. automodule:: dpdispatcher.LazyLocalContext
+   :members:
+   :undoc-members:
+
+.. automodule:: dpdispatcher.LocalContext
+   :members:
+   :undoc-members:
+
+.. automodule:: dpdispatcher.PBS
+   :members:
+   :undoc-members:
+
+.. automodule:: dpdispatcher.SSHContext
+   :members:
+   :undoc-members:
+
+.. automodule:: dpdispatcher.Shell
+   :members:
+   :undoc-members:
+
+.. automodule:: dpdispatcher.Slurm
+   :members:
+   :undoc-members:

doc/conf.py

@@ -0,0 +1,60 @@
+# Configuration file for the Sphinx documentation builder.
+#
+# This file only contains a selection of the most common options. For a full
+# list see the documentation:
+# https://www.sphinx-doc.org/en/master/usage/configuration.html
+
+# -- 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 = 'DPDispatcher'
+copyright = '2020, Deep Potential'
+author = 'Deep Potential'
+
+
+# -- 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 = [
+    'recommonmark',
+    "sphinx_rtd_theme",
+    'sphinx.ext.autosummary'
+]
+
+# Add any paths that contain templates here, relative to this directory.
+templates_path = ['_templates']
+
+# 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']
+
+
+# -- 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 = 'sphinx_rtd_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 = []
+
+autodoc_default_flags = ['members']
+autosummary_generate = True
+master_doc = 'index'

doc/index.rst

@@ -0,0 +1,22 @@
+.. deepmd-kit documentation master file, created by
+   sphinx-quickstart on Sat Nov 21 18:36:24 2020.
+   You can adapt this file completely to your liking, but it should at least
+   contain the root `toctree` directive.
+
+DPDispatcher's documentation
+======================================
+
+.. toctree::
+   :maxdepth: 2
+   :caption: Contents:
+
+
+   api
+
+
+Indices and tables
+==================
+
+* :ref:`genindex`
+* :ref:`modindex`
+* :ref:`search`

doc/make.bat

@@ -0,0 +1,35 @@
+@ECHO OFF
+
+pushd %~dp0
+
+REM Command file for Sphinx documentation
+
+if "%SPHINXBUILD%" == "" (
+	set SPHINXBUILD=sphinx-build
+)
+set SOURCEDIR=.
+set BUILDDIR=_build
+
+if "%1" == "" goto help
+
+%SPHINXBUILD% >NUL 2>NUL
+if errorlevel 9009 (
+	echo.
+	echo.The 'sphinx-build' command was not found. Make sure you have Sphinx
+	echo.installed, then set the SPHINXBUILD environment variable to point
+	echo.to the full path of the 'sphinx-build' executable. Alternatively you
+	echo.may add the Sphinx directory to PATH.
+	echo.
+	echo.If you don't have Sphinx installed, grab it from
+	echo.http://sphinx-doc.org/
+	exit /b 1
+)
+
+%SPHINXBUILD% -M %1 %SOURCEDIR% %BUILDDIR% %SPHINXOPTS% %O%
+goto end
+
+:help
+%SPHINXBUILD% -M help %SOURCEDIR% %BUILDDIR% %SPHINXOPTS% %O%
+
+:end
+popd

doc/requirements.txt

@@ -0,0 +1 @@
+.[docs]

setup.py

@@ -37,6 +37,9 @@
     ],
     keywords='deep potential generator active learning deepmd-kit',
     install_requires=install_requires,    
+    extras_require={
+        'docs': ['sphinx', 'recommonmark', 'sphinx_rtd_theme'],
+    },
         entry_points={
           'console_scripts': [
               SHORT_CMD+'= dpdispatcher.dpdisp:main']