Hi Noel, On Wed, Mar 30, 2011 at 10:59 PM, Noel O'Boyle <[email protected]> wrote: > Hi all, > > I'm updating cinfony and using the latest RDKit Release > (RDKit_2010_12_1, the binary Python 2.6 release), but "from rdkit > import Chem" is causing Python to crash (on Windows 7) as below. I've > tried with and without RDBASE defined. > > Can someone confirm that it works for them?
As long as I be sure that my PATH is set properly, things work fine. Here's what I see using a newly downloaded copy of the 2010_12_1 release on my win7 box: $ python Python 2.6.6 (r266:84297, Aug 24 2010, 18:46:32) [MSC v.1500 32 bit (Intel)] on win32 Type "help", "copyright", "credits" or "license" for more information. >>> from rdkit import Chem >>> from rdkit import rdBase >>> rdBase.rdkitVersion '2010.12.1' >>> I mention the PATH setting thing because I normally use python2.7 and when I first tried testing my freshly downloaded copy of the 2010_12_1 release I also got a crash (ah! panic!), but it turns out that was caused by me having a boost python dll built for python2.7 somewhere else in my PATH. looks like something else is happening for you: > > C:\Tools\rdkit\RDKit_2010_12_1>echo %PATH% > C:\Tools\rdkit\RDKit_2010_12_1\lib > > C:\Tools\rdkit\RDKit_2010_12_1>echo %PYTHONPATH% > %PYTHONPATH% looks ok so far > C:\Tools\rdkit\RDKit_2010_12_1>python > 'python' is not recognized as an internal or external command, > operable program or batch file. > > C:\Tools\rdkit\RDKit_2010_12_1>C:\Python26\python > Python 2.6.4 (r264:75708, Oct 26 2009, 08:23:19) [MSC v.1500 32 bit (Intel)] > on > win32 > Type "help", "copyright", "credits" or "license" for more information. >>>> from rdkit import Chem > > CRASH!!! This is, in my experience, always a PATH or PYTHONPATH problem, but it does look like you have that stuff set correctly. Can you please try: C:\Python26\python -v -c 'from rdkit import rdBase' and see if you get the same crash? If so, take a look at the output and make sure it really is using the right rdkit. If that still has problems, the easiest way to diagnose what's going on is to grab a copy of dependency walker (one of the most useful windows tools: http://www.dependencywalker.com/), invoking that from the shell you are running python in (so that it has the same environment), and then opening either $RDBASE/rdkit/rdBase.pyd or $RDBASE/rdkit/Chem/rdchem.pyd. Take a look at the what libraries are being used and see if you can identify anything suspicious. Best, -greg ------------------------------------------------------------------------------ Create and publish websites with WebMatrix Use the most popular FREE web apps or write code yourself; WebMatrix provides all the features you need to develop and publish your website. http://p.sf.net/sfu/ms-webmatrix-sf _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
