openbabel:align_permutations

Last commit made on 2014-02-10
Get this branch:
git clone -b align_permutations https://git.launchpad.net/openbabel

Branch merges

Branch information

Name:
align_permutations
Repository:
lp:openbabel

Recent commits

b630482... by baoilleach

Use PermutationWrapper to permute rows instead of doing it manually.

3d60db9... by Geoff Hutchison <email address hidden>

Update aromatic rules to consider formal charges.

Patch contributed by Roger Sayle via e-mail list.

a216177... by baoilleach

Merge pull request #65 from mcs07/pythonsetup

Improvements to Python setup.py

668e5f8... by Matt Swain <email address hidden>

Bump python bindings version to 1.8.1

9962917... by Matt Swain <email address hidden>

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.

099f67b... by Matt Swain <email address hidden>

Change python bindings package name to openbabel-python

eeebbe3... by Geoff Hutchison <email address hidden>

Merge pull request #50 from serval2412/master

Fix some other scan coverity reports

da00629... by Geoff Hutchison <email address hidden>

Merge pull request #64 from ghutchis/FIX_descriptor-coverity-errors

Fix several small errors as determined by the Coverity scan.

e65bf4b... by Matt Swain <email address hidden>

Make pkg-config check more robust and allow manual override

Add a sensible fallback if pkg-config fails to locate the Open Babel include and library directories, and a helpful error message if that fallback also fails.

Allow Open Babel include and library directories to be manually specified as command line options to setup.py using the build_ext command with -I and -L options.

d6a44bc... by Matt Swain <email address hidden>

Ensure build_ext runs before build_py

The setup.py build and install commands run a number of subcommands, including build_ext, which runs SWIG to generate openbabel.py, and build_py, which copies openbabel.py and other python sources to the build directory.

The default ordering is for build_py to be run before build_ext, causing errors as build_py attempts to copy openbabel.py before it exists. This change ensures build_ext is always run first at the start of both the build and install commands.