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
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