> 1. Possibly this could be detected by seeing what libraries are installed in 
> the openbabel install

Indeed. Many of these things should already be set in the babelconfig.h header, 
which should be trivially parseable by Python. If something is missing, let me 
know and I can change CMake to add the needed info to babelconfig.h for this 
purpose.

Moreover, most of this info should also be accessible in the openbabel-2.0.pc 
for pkg-config, and the CMake module installed for Open Babel.

> 2. More reliably, openbabel could install a comand to the install bin that 
> (perhaps named openbabel-config) that provides all this information (like 
> include dir, lib dir, compile options, etc) as text to stdout. This is the 
> mechanism that python uses for its self (with python-config). 

Meh. We already install a CMake module and a pkg-config module, plus 
babelconfig.h. It's certainly easy to write such a script, but I guess my 
question is "how many of these things do we need?"

> 3. Have setup.py give clean information about why it fails if it can't get 
> info (e.g. need to upgrade openbabel before install, etc.)

This would be an extremely welcome improvement.

> What do you think?

Sounds great. Are you volunteering? ;-)

Cheers,
-Geoff


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