[Rdkit-discuss] Compiling issues

2010-11-15 Thread Markus Kossner
Hi Greg, I have tried to install the latest RDKit on a freshly installed Ubuntu 10.10. After installing python-dev, sqlite3, numpy, bison, flex AND THE BOOST LIBRARIES VIA APT (boost 1.42), I additionally installed boost 1.4.2 in /opt/boost_1_42_0. During the cmake step flex and bison were

Re: [Rdkit-discuss] Compiling issues

2010-11-15 Thread Greg Landrum
HI Markus, On Mon, Nov 15, 2010 at 9:51 AM, Markus Kossner m.koss...@googlemail.com wrote: Hi Greg, I have tried to install the latest RDKit on a freshly installed Ubuntu 10.10. After installing python-dev, sqlite3, numpy, bison, flex AND THE BOOST LIBRARIES VIA APT (boost 1.42), I

Re: [Rdkit-discuss] Compiling issues

2010-11-15 Thread Markus Kossner
Hi Greg, exactly that was the case. RDKit nicely installs now! Cheers, Markus On 11/15/2010 10:05 AM, Greg Landrum wrote: HI Markus, On Mon, Nov 15, 2010 at 9:51 AM, Markus Kossner m.koss...@googlemail.com wrote: Hi Greg, I have tried to install the latest RDKit on a freshly installed

[Rdkit-discuss] Building RDKit on CentOS 5

2010-11-15 Thread Robert DeLisle
I've been working to build RDKit on Centos 5, and I'm hitting a very common error. Unfortunately, none of the standard fixes have helped. Details: The error that I'm seeing is this: [ 82%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNParse.cpp.o [ 83%] Building CXX

Re: [Rdkit-discuss] Building RDKit on CentOS 5

2010-11-15 Thread Eddie Cao
Have you tried to remove the CMake cache file before rerun cmake? rm -f CMakeCache.txt After rerun cmake, take a look at that file again and make sure things like Boost_INCLUDE_DIR and Boost_LIBRARY_DIRS all point to /usr/local/include and /usr/local/lib, etc. Eddie On Nov 15, 2010, at

Re: [Rdkit-discuss] Building RDKit on CentOS 5

2010-11-15 Thread Robert DeLisle
Yep, I've defintely done that. I've even gone so far as to wipe out the directory entirely and start with a fresh RDKit directory. I also looked into the cache file and seen that the library directories appear to be set as /usr/local/lib and /user/local/lib64, but one the error occurs, it refers

Re: [Rdkit-discuss] Building RDKit on CentOS 5

2010-11-15 Thread Robert DeLisle
It must be something in the release version of RDKit. I just grabbed the SVN version, put it in the same location, followed the same procedures, and it has just compiled fine without any other changes on my part. Greg - any ideas what the difference is here? Not that it matters given that the

Re: [Rdkit-discuss] Building RDKit on CentOS 5

2010-11-15 Thread Eddie Cao
Make sure /usr/local/lib appears before /usr/lib64 in your LD_LIBRARY_PATH. It seems python import loads the system boost rather than your custom boost. -Eddie On Nov 15, 2010, at 2:44 PM, Robert DeLisle wrote: It must be something in the release version of RDKit. I just grabbed the SVN

Re: [Rdkit-discuss] Building RDKit on CentOS 5

2010-11-15 Thread Robert DeLisle
Yes, that is also true. The error in my most recent messages stems from the default build of Python supporst Unicode UCS2, but apparently boost expects UCS4. A rebuild of Python with UCS4 enabled fixed that problem. Now I get a similar error related to Py_InitModule4 not being defined. From

Re: [Rdkit-discuss] Building RDKit on CentOS 5

2010-11-15 Thread Greg Landrum
Hi Kirk, On Mon, Nov 15, 2010 at 11:44 PM, Robert DeLisle rkdeli...@gmail.com wrote: It must be something in the release version of RDKit.  I just grabbed the SVN version, put it in the same location, followed the same procedures, and it has just compiled fine without any other changes on my

Re: [Rdkit-discuss] Building RDKit on CentOS 5

2010-11-15 Thread Greg Landrum
Kirk, On Tue, Nov 16, 2010 at 12:38 AM, Robert DeLisle rkdeli...@gmail.com wrote: Yes, that is also true. The error in my most recent messages stems from the default build of Python supporst Unicode UCS2, but apparently boost expects UCS4.  A rebuild of Python with UCS4 enabled fixed that

Re: [Rdkit-discuss] Building RDKit on CentOS 5

2010-11-15 Thread rkdelisle
No, I made sure to include the address-model=64 switch to bjam. Tomorrow when I get in I'll update the thread with all the steps I've followed. -Kirk On Nov 15, 2010 9:52pm, Greg Landrum greg.land...@gmail.com wrote: Kirk, On Tue, Nov 16, 2010 at 12:38 AM, Robert DeLisle