From drussel at gmail.com Fri May 20 15:51:19 2011 From: drussel at gmail.com (Daniel Russel) Date: Fri May 20 15:51:23 2011 Subject: [Mdseriesmarch10-day1] Issues building OpenMM In-Reply-To: References: Message-ID: <80678F2D-2426-48ED-95A4-1C3038DB6BCC@gmail.com> I'm not sure who this is going to, but here goes. I'm finding building OpenMM on my Mac to be not at all straight forwards. My platform is: Mac OS 10.6 with OpenCL support. Python 2.7 from mac ports OpenMM 3.0 source downloaded from the web site. swig 2.0.3 So far: - when I build OpenMM (the C++ lib) I get /swig_lib/python/extend.i:160: Warning 303: %extend defined for an undeclared class OpenMM::System. ./swig_lib/python/extend.i:147: Warning 303: %extend defined for an undeclared class OpenMM::NonbondedForce. ./swig_lib/python/extend.i:121: Warning 303: %extend defined for an undeclared class OpenMM::Context. among other warnings. The files are in a directory with doxygen in the name so it is not clear they are important - when it is installed, the library ids and paths are not set properly so linking against them doesn't work well (a few calls to install_name_tool fix this). - I had to change the setup.py for the python module to remove the -m32 as python won't load the 32 bit library generated with -m32 - when I try to use the python bindings, simtk.openmm.System is not found (and, indeed dir(openmm) doesn't list it). Trying to use the mac os build from the web site: - when I try to run the python/setup script I get package directory 'simtk/unit' does not exist Any pointers? Thanks.