Bump version. Add pip upgrade instructions.

README.md

@@ -27,12 +27,16 @@ You can also use pip. All requirements besides toolkits (OpenBabel, RDKit) are i
 Installing inside virtualenv is encouraged, but not necessary.
 > pip install oddt
 
+### Upgrading
+To upgrade oddt using pip (without upgrading dependencies):
+> pip install -U --no-deps oddt
+
 ### Documentation
 Automatic documentation for ODDT is available on [Readthedocs.org](https://oddt.readthedocs.org/). Additionally it can be build localy:
    > cd docs
-   
+
    > make html
-   
+
    > make latexpdf
 
 ### License

docs/conf.py

@@ -35,7 +35,7 @@
     'sphinx.ext.mathjax',
     'sphinx.ext.intersphinx',
     'sphinx.ext.viewcode',
-    'numpydoc',    
+    'numpydoc',
 ]
 
 autosummary_generate = True
@@ -65,7 +65,7 @@
 # The short X.Y version.
 version = '0.1'
 # The full version, including alpha/beta/rc tags.
-release = '0.1.1'
+release = '0.1.2'
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.
@@ -350,7 +350,7 @@
 if os.environ.get('READTHEDOCS', None) == 'True':
     # Invoke sphinx-apidoc
     os.system("sphinx-apidoc -f -o rst/ ../oddt")
-    
+
     try:
         from unittest.mock import MagicMock # Python 3.3
     except ImportError:
@@ -363,7 +363,7 @@
                 # OpenBabel
                 'pybel': pybel,
                 'openbabel' : openbabel,
-                
+
                 # RDK
                 'rdkit': rdkit,
                 'rdkit.Chem': rdkit.Chem,

setup.py

@@ -3,7 +3,7 @@
 from setuptools import setup,find_packages
 
 setup(name='oddt',
-        version='0.1.1',
+        version='0.1.2',
         description='Open Drug Discovery Toolkit',
         author='Maciej Wojcikowski',
         author_email='mwojcikowski@ibb.waw.pl',
@@ -13,4 +13,6 @@
         package_data={'oddt.scoring.functions': ['NNScore/*.csv', 'RFScore/*.csv']},
         setup_requires = ['numpy>=1.6.2'],
         install_requires = open('requirements.txt', 'r').readlines(),
+        download_url = 'https://github.com/peterldowns/mypackage/tarball/0.1.2',
+        keywords = ['cheminformatics', 'qsar', 'virtual screening', 'docking', 'pipeline'],
     )