Hi list, In a previous version of OpenBabel (OpenBabel-2.2) it was possible to instruct the build to make use of OpenMP to parallelize the forcefields routines in OpenBabel. The way it was done was using compiler flags read by the configure command inside babel source directory:
$tar zxvf openbabel-2.2.tar.gz $cd openbabel-2.2 $./configure CXXFLAGS="-g -fopenmp -lgomp" Now that OpenBabel uses CMake to build itself, I found no longer reference about OpenMP, whether in the current documentation, library optional dependencies, CMakeLists.txt. The OpenMP preprocessor directives are however still there in the forcefield source fields. I am not familiar with CMake but I have been looking around and I think adding an extra flags to the build on condition that OpenMP support is found shouldn't be a problem. Or is there a better approach I am willing to hear what are your suggestions. Also I couldn't find any mention of OpenMP support in the latest OpenBabel documentation and I was wondering why this is the case. Regards, -- Omar V.M. ovale...@ichec.ie ------------------------------------------------------------------------------ Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
