I think this kind of errors pops up when the environment variables haven't
been set up - RDBASE, PYTHONPATH and LD_LIBRARY_PATH.
Also, make sure you run "make install" (or its equivalent for MSVC, I only
used Linux/MSYS/OSX versions) before running the tests.
Hope this helps,
Igor
On Fri, Jan 23, 2015 at 9:42 AM, Paolo Tosco <[email protected]> wrote:
> Hi,
>
> I have a strong feeling I am doing something silly but I cannot find out
> what it is.
> The current RDKit development version builds fine on Windows using MSVC
> 2013, pre-built Python27, pre-built Boost_1_55_0.
> However, it fails a few tests:
>
> The following tests FAILED:
> 4 - pyDiscreteValueVect (Failed)
> 5 - pySparseIntVect (Failed)
> 32 - testMolSupplier (Failed)
> 48 - pyPartialCharges (Failed)
> 69 - pyGraphMolWrap (Failed)
> 75 - pyRanker (Failed)
> 77 - pyFeatures (Failed)
> 78 - pythonTestDbCLI (Failed)
> 79 - pythonTestDirML (Failed)
> 84 - pythonTestDirChem (Failed)
>
> More specifically, testMolSupplier.exe crashes ("testMolSupplier.exe has
> stopped working"), while
> Python tests fail because of Python modules failing to load:
>
> c:\build\rdkit\Code\ChemicalFeatures\Wrap>c:\Python27\python.exe
> testFeatures.py
> Testing ChemicalFeatures Wrapper code:
> .E
> ======================================================================
> ERROR: testPickle (__main__.TestCase)
> ----------------------------------------------------------------------
> Traceback (most recent call last):
> File "testFeatures.py", line 81, in testPickle
> ffeat2=cPickle.load(inF, encoding='bytes')
> File "C:\build\rdkit\rdkit\_py2_pickle.py", line 5, in load
> def load(f, **kwargs): return _load(f)
> ImportError: No module named rdChemicalFeatures
>
> ----------------------------------------------------------------------
> Ran 2 tests in 0.001s
>
> FAILED (errors=1)
>
> However, the following works fine:
>
> c:\build\rdkit\Code\ChemicalFeatures\Wrap>c:\Python27\python.exe
> Python 2.7.6 (default, Nov 10 2013, 19:24:18) [MSC v.1500 32 bit
> (Intel)] on win32
> Type "help", "copyright", "credits" or "license" for more information.
> >>> import rdkit
> >>> from rdkit import Chem
> >>> from rdkit.Chem import rdChemicalFeatures
> >>>
>
>
> In the past, I have been able to build the RDKit on Windows without
> problems, using MSVC 2010.
> Can anyone find a solution to these issues?
>
> Thank you very much in advance, kind regards,
> Paolo
>
>
>
> ------------------------------------------------------------------------------
> New Year. New Location. New Benefits. New Data Center in Ashburn, VA.
> GigeNET is offering a free month of service with a new server in Ashburn.
> Choose from 2 high performing configs, both with 100TB of bandwidth.
> Higher redundancy.Lower latency.Increased capacity.Completely compliant.
> http://p.sf.net/sfu/gigenet
> _______________________________________________
> Rdkit-discuss mailing list
> [email protected]
> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
>
------------------------------------------------------------------------------
New Year. New Location. New Benefits. New Data Center in Ashburn, VA.
GigeNET is offering a free month of service with a new server in Ashburn.
Choose from 2 high performing configs, both with 100TB of bandwidth.
Higher redundancy.Lower latency.Increased capacity.Completely compliant.
http://p.sf.net/sfu/gigenet
_______________________________________________
Rdkit-discuss mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
