Re: [Rdkit-discuss] Python argument types did not match C++ signature

2014-10-15 Thread William G. Scott
setting $DYLD_LIBRARY_PATH, just in case it mattered. It didn’t). I’ll poke around some more. Thanks. William G. Scott http://scottlab.ucsc.edu/~wgscott -- Comprehensive Server Monitoring with Site24x7. Monitor 10

Re: [Rdkit-discuss] Python argument types did not match C++ signature

2014-10-14 Thread William G. Scott
correctly hard-coded, and (in my case at least) I don’t have any other set of libs for it to find. Thanks. Bill William G. Scott http://scottlab.ucsc.edu/~wgscott -- Comprehensive Server Monitoring with Site24x7

[Rdkit-discuss] RDKit, Java, and Fink on OS X

2014-05-24 Thread William G. Scott
for improvements, please let me know. William G. Scott Professor Department of Chemistry and Biochemistry and The Center for the Molecular Biology of RNA University of California at Santa Cruz Santa Cruz, California 95064 USA http://scottlab.ucsc.edu/scottlab

Re: [Rdkit-discuss] RDkit, OS X 10.9 and clang++

2013-10-26 Thread William G. Scott
On Oct 26, 2013, at 9:24 AM, David Hall li...@cowsandmilk.net wrote: 'm fairly confident this isn't a compiler problem, but a libc++ problem. CXXFLAGS=-stdlib=libstdc++ cmake .. gets you past the current problem. But if boost is built against libc++ , it doesn't link, so I also built

Re: [Rdkit-discuss] RDkit, OS X 10.9 and clang++

2013-10-26 Thread William G. Scott
On Oct 26, 2013, at 12:17 PM, William G. Scott wgsc...@ucsc.edu wrote: On Oct 26, 2013, at 9:24 AM, David Hall li...@cowsandmilk.net wrote: 'm fairly confident this isn't a compiler problem, but a libc++ problem. CXXFLAGS=-stdlib=libstdc++ cmake .. gets you past the current problem

[Rdkit-discuss] RDkit, OS X 10.9 and clang++

2013-10-25 Thread William G. Scott
us, and I’m stuck. Has anyone succeeded in getting rdkit compiled on 10.9, and if so, how? Also, if anyone has feedback or recommendations for how to improve the fink rdkit package, please let me know. Thanks in advance. Bill Scott William G. Scott Professor Department of Chemistry

Re: [Rdkit-discuss] RDkit, OS X 10.9 and clang++

2013-10-25 Thread William G. Scott
. I have been able to build the rdkit with clang++ in the past without problems and could certainly give that a try on a Linux box. Which version of clang are you using? What are you seeing for error messages when you try a build? -greg On 25 Oct 2013, at 18:43, William G. Scott wgsc

Re: [Rdkit-discuss] Problems homebrewing RDKit

2013-10-21 Thread William G. Scott
I've made a Fink package for OS X, if that helps. If you don't want to use fink, it might still be of use to look at it. http://fink.cvs.sourceforge.net/viewvc/fink/dists/10.7/stable/main/finkinfo/sci/rdkit.info?view=markup HTH, William G. Scott Professor Department of Chemistry

Re: [Rdkit-discuss] DYLD_LIBRARY_PATH: RDKit + MacPorts compatibility problem

2013-03-26 Thread William G. Scott
into the libraries after compiling. You can see how I did it here: http://fink.cvs.sourceforge.net/viewvc/fink/dists/10.7/stable/main/finkinfo/sci/rdkit.info?view=markup Feel free to use any or all of it for making a macports package. Bill William G. Scott Professor Department of Chemistry and Biochemistry

Re: [Rdkit-discuss] rdkit OS X fink package

2013-02-09 Thread William G. Scott
On Feb 9, 2013, at 7:23 AM, Greg Landrum greg.land...@gmail.com wrote: It certainly could be. I normally dynamically link against the boost python lib. It's worth trying using the dynamically linked version and seeing if it helps. I will do that. Out of curiosity, why did you decide

Re: [Rdkit-discuss] rdkit OS X fink package

2013-02-09 Thread William G. Scott
On Feb 9, 2013, at 8:10 AM, Greg Landrum greg.land...@gmail.com wrote: On Sat, Feb 9, 2013 at 4:36 PM, William G. Scott wgsc...@ucsc.edu wrote: Out of curiosity, why did you decide not to use whatever boost version fink normally installs? -greg Fink has boost version 1.35, which I

Re: [Rdkit-discuss] rdkit OS X fink package

2013-02-09 Thread William G. Scott
On Feb 9, 2013, at 8:28 AM, Greg Landrum greg.land...@gmail.com wrote: On Sat, Feb 9, 2013 at 5:13 PM, William G. Scott wgsc...@ucsc.edu wrote: I suspect they wanted to migrate to boost.cmake. Will rdkit build with that (I couldn't get it to work, but that doesn't mean a whole lot

[Rdkit-discuss] rdkit OS X fink package

2013-02-08 Thread William G. Scott
this be the source of the error?) Thanks in advance. Bill William G. Scott Professor Department of Chemistry and Biochemistry and The Center for the Molecular Biology of RNA 228 Sinsheimer Laboratories University of California at Santa Cruz Santa Cruz, California 95064 USA