[Open Babel] ACS

2010-08-21 Thread S Joshua Swamidass
Who will be at ACS this week? It would good to meet some people from the team face to face. S Joshua Swamidass http://swami.wustl.edu/ -- This SF.net email is sponsored by Make an app they can't live without Ente

Re: [Open Babel] [OpenBabel-scripting] question about pybel for python 3.x

2013-12-27 Thread S Joshua Swamidass
. S Joshua Swamidass http://swami.wustl.edu/ On Fri, Dec 27, 2013 at 12:49 PM, S Joshua Swamidass wrote: > So Noel responded thusly... > > "Python 3 support should be working fine. You just need to specify the > location to the appropriate Python installation when running CMa

Re: [Open Babel] [OpenBabel-scripting] question about pybel for python 3.x

2013-12-30 Thread S Joshua Swamidass
There are a couple ways to handle these issues: 1. Possibly this could be detected by seeing what libraries are installed in the openbabel install 2. More reliably, openbabel could install a comand to the install bin that (perhaps named openbabel-config) that provides all this information (like i

Re: [Open Babel] [OpenBabel-scripting] question about pybel for python 3.x

2014-01-03 Thread S Joshua Swamidass
I'm up for helping a bit. I do understand the setup.py system, and have a few packages already on pypi. But I'll need some help figuring out how the current system works. Is there someone already familiar with this that could help do this? S Joshua Swamidass http://swami.wustl.edu/ O

Re: [Open Babel] [OpenBabel-scripting] question about pybel for python 3.x

2014-01-03 Thread S Joshua Swamidass
bel'] ) So here is the question, what is the best way for this python scipt to discover where the openbabel libraries and includes are installed? An environmental variable? An option to setup.py? Or, ideally, something run off the commandline? If we can solve this problem,

Re: [Open Babel] [OpenBabel-scripting] question about pybel for python 3.x

2014-01-04 Thread S Joshua Swamidass
ild knowledge want to check it? S Joshua Swamidass http://swami.wustl.edu/ On Sat, Jan 4, 2014 at 3:27 AM, David Hall wrote: > I'm not sure what exactly you're tying to accomplish, but Geoff pointed > out that openbabel has a pkg-config file, which is what most people would &

[Open Babel] Openbabel build failing on Mac OS 9

2014-02-11 Thread S Joshua Swamidass
So, The released version fails to build (because of shared pointer header api change). The git version seems to compile without issues. Maybe we should release a new version to deal with this? S Joshua Swamidass http://swami.wustl.edu