Add more info to python README and revert package name change

Change the python bindings package name back to 'openbabel', but make clear in the Python README that this is just the python bindings, not the main Open Babel library, just in case anyone stumbles across the PyPI page by accident.
This commit is contained in:
Matt Swain
2014-01-28 10:48:59 +00:00
parent 099f67badb
commit 9962917d9d
2 changed files with 28 additions and 21 deletions

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@@ -1,29 +1,30 @@
Open Babel Python Bindings
==========================
This is a Python interface to the Open Babel chemistry library.
This is a Python interface to the Open Babel chemistry library. For the
main Open Babel project, see http://openbabel.org.
Open Babel is a chemical toolbox designed to speak the many languages
of chemical data. It's an open, collaborative project allowing anyone
to search, convert, analyze, or store data from molecular modeling,
chemistry, solid-state materials, biochemistry, or related areas.
For installation instructions, tutorials and examples, please visit the
`Open Babel website <http://openbabel.org/wiki/Python>`_.
chemistry, solid-state materials, biochemistry, or related areas. For
installation instructions, tutorials and examples, please visit the
`Open Babel website`_.
This package provides two Python modules that can be used to access the
functionality of Open Babel toolkit:
functionality of the Open Babel toolkit:
- The `openbabel <http://openbabel.org/docs/dev/UseTheLibrary/PythonDoc.html>`_
module: A wrapper that is automatically generated using the SWIG package
and provides access to almost all of the Open Babel interfaces via Python,
including the base classes OBMol, OBAtom, OBBond, and OBResidue, as well
as the conversion framework OBConversion.
- The `openbabel`_ module: A wrapper that is automatically generated using
the SWIG package and provides access to almost all of the Open Babel
interfaces via Python, including the base classes OBMol, OBAtom, OBBond,
and OBResidue, as well as the conversion framework OBConversion.
- The `pybel <http://openbabel.org/docs/dev/UseTheLibrary/Python_Pybel.html>`_
module: A lightweight wrapper around the classes and methods in the
openbabel module. Pybel provides more convenient and Pythonic ways to
access the Open Babel toolkit.
- The `pybel`_ module: A lightweight wrapper around the classes and methods
in the openbabel module. Pybel provides more convenient and Pythonic ways
to access the Open Babel toolkit.
For detailed installation instructions, API documentation and further information
on the Python bindings, see the `Python pages on the Open Babel website`_.
Dependencies
------------
@@ -34,17 +35,17 @@ Dependencies
Installation
------------
**Option 1**: Use `pip <http://www.pip-installer.org/en/latest/>`_.
**Option 1**: Use `pip`_.
::
pip install openbabel-python
pip install openbabel
**Option 2**: Download the latest release and install yourself.
::
tar -xzvf openbabel-python-1.8.tar.gz
tar -xzvf openbabel-1.8.tar.gz
cd openbabel-1.8
python setup.py install
@@ -64,8 +65,7 @@ Copyright and Licence
- Copyright (C) 2005-2007 Geoffrey R. Hutchison babel@geoffhutchison.net
- Some portions Copyright (C) 2006-2010 Noel O'Boyle
This Python module is part of the `Open Babel project
<http://openbabel.org/>`_.
This Python module is part of the `Open Babel project`_.
Open Babel is distributed under the GNU General Public License (GPL).
This program is free software; you can redistribute it and/or modify
@@ -73,3 +73,10 @@ it under the terms of the GNU General Public License as published by
the Free Software Foundation version 2 of the License. Full details
can be found in the file "COPYING" which should be included in your
distribution.
.. _`Open Babel website`: http://openbabel.org
.. _`openbabel`: http://openbabel.org/docs/dev/UseTheLibrary/PythonDoc.html
.. _`pybel`: http://openbabel.org/docs/dev/UseTheLibrary/Python_Pybel.html
.. _`Python pages on the Open Babel website`: http://openbabel.org/wiki/Python
.. _`pip`: http://www.pip-installer.org
.. _`Open Babel project`: http://openbabel.org

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@@ -103,7 +103,7 @@ class CustomBuildExt(build_ext):
obextension = Extension('_openbabel', ['openbabel-python.i'], libraries=['openbabel'])
setup(name='openbabel-python',
setup(name='openbabel',
version=__version__,
author=__author__,
author_email=__email__,