Re: [Rdkit-discuss] Contractors working with the RDKit?
We can do this kind of work at Scientific Software Solutions Ltd. ( www.scisoftpro.com), especially with C++ Regards, Evgueni On 20 March 2011 05:46, Greg Landrum greg.land...@gmail.com wrote: Dear all, I was recently asked if there was anyone out there who was able to do contract development work with or on the RDKit. It's a good question, but I didn't have a good answer handy. So I'm asking here. If you currently do, or are willing to do, contract development work either extending the RDKit or developing new tools based on the RDKit, please reply to this thread. It would be helpful if you indicate your comfort level on both the C++ or Python sides. If there's sufficient interest/response, I'd be happy to include a section either on rdkit.org or on the wiki with names/links. Thanks, -greg -- Colocation vs. Managed Hosting A question and answer guide to determining the best fit for your organization - today and in the future. http://p.sf.net/sfu/internap-sfd2d ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss -- Colocation vs. Managed Hosting A question and answer guide to determining the best fit for your organization - today and in the future. http://p.sf.net/sfu/internap-sfd2d___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] Contractors working with the RDKit?
I am willing and able to do consulting and contract programming using RDKit, using either Python or C++ http://gnova.com TJ TJ O'Donnell, Ph.D. President, gNova, Inc. t...@gnova.com On Sat, Mar 19, 2011 at 10:46 PM, Greg Landrum greg.land...@gmail.com wrote: Dear all, I was recently asked if there was anyone out there who was able to do contract development work with or on the RDKit. It's a good question, but I didn't have a good answer handy. So I'm asking here. If you currently do, or are willing to do, contract development work either extending the RDKit or developing new tools based on the RDKit, please reply to this thread. It would be helpful if you indicate your comfort level on both the C++ or Python sides. If there's sufficient interest/response, I'd be happy to include a section either on rdkit.org or on the wiki with names/links. Thanks, -greg -- Colocation vs. Managed Hosting A question and answer guide to determining the best fit for your organization - today and in the future. http://p.sf.net/sfu/internap-sfd2d ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss -- Colocation vs. Managed Hosting A question and answer guide to determining the best fit for your organization - today and in the future. http://p.sf.net/sfu/internap-sfd2d ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] Fatal Python error: Interpreter not initialized (version mismatch?) after python upgrade with rdkit on OSX
HI Hari, On Sun, Mar 20, 2011 at 11:51 PM, hari jayaram hari...@gmail.com wrote: Hi , I upgraded to python 2.7.1 on my OSX Leopard ( 32 bit) running laptop. I did have the svn version of rdkit running very well on the machine using the cmake build instructions from http://code.google.com/p/rdkit/wiki/BuildingWithCmake After the switch I rebuilt rdkit with pointers to the new python. cmake -D PYTHON_EXECUTABLE=/Library/Frameworks/Python.framework/Versions/2.7/bin/python However after the cmake build I am getting a crash and message . Fatal Python error: Interpreter not initialized (version mismatch) This happens when I try a import rdkit works fine from rdkit import Chem ---immediately crashes python REPL and gives me the error message I also rebuild boost after the switch to python 2.7 by running a bootstrap and bjam install as detailed in the instructions (http://code.google.com/p/rdkit/wiki/BuildingWithCmake) but the crash and error persists. Any pointers on why the python commandline throws such a fit with an import of rdkit.Chem and terminates after the switch to 2.7.1 It could be that cmake chose the wrong python libraries to link against. Try doing: grep PYTHON_LIBRARY CMakeCache.txt in your build dir. If what you see isn't what you expect (i.e. if it's still using the system python), then rerun cmake using -D PYTHON_LIBRARY=/usr/lib/python2.7/config/libpython2.7.a (or whatever the path is) You might also need to provide -D PYTHON_INCLUDE_DIR=/usr/include/python2.7 (again, or whatever the path is) Best regards, -greg -- Colocation vs. Managed Hosting A question and answer guide to determining the best fit for your organization - today and in the future. http://p.sf.net/sfu/internap-sfd2d ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
