Dear Greg,
Thanks, it works now. I had to go through the sequence cmake, make and make
install again with all environment variables set. I'm pretty sure I did this in
my previous attempt, could it be that the variables need to be set explicitly,
eg PYTHONPATH=/path/to/rdbase rather that PYTHONPATH=$RDBASE ?
In any case, these are the variables I set before I do 'cmake ..' ,
'make','make install' from $RDBASE/build:
BOOSTROOT=/path/to/boost_1_47_0
RDBASE=/path/to/RDKit_2011_09_1
PYTHONPATH=/path/to/RDKit_2011_09_1
LD_LIBRARY_PATH=/path/to/boost_1_47_0:/path/to/boost_1_47_0/stage/lib:/path/to/RDKit_2011_09_1/:path/to/RDKit_2011_09_1/build/lib/
Boost_INCLUDEDIR=/path/to/boost_1_47_0
The tests from 'ctest' all pass and I can do 'from rdkit import Chem' in the
interactive python interpreter, so I guess I'm looking forward to doing some
chemistry soon!
Thanks again,
Felix
On 27 Oct 2011, at 04:40, Greg Landrum wrote:
> Dear Felix,
>
> On Thu, Oct 27, 2011 at 12:41 AM, Felix Krueger
> <[email protected]> wrote:
>> I tried building RDKit in a Ubuntu virtual machine. The output said the
>> build was successful, ctest gave a number errors:
>> 3 - pyBV (Failed)
> <snip>
>> 76 - pythonTestDirChem (Failed)
>> I think I know why these tests fail...when I try importing Chem, I get:
>> from rdkit import Chem
>> Traceback (most recent call last):
>> File "<stdin>", line 1, in <module>
>> File "/home/mo/Library/RDKit_2011_09_1/rdkit/Chem/__init__.py", line 18,
>> in <module>
>> from rdkit import rdBase
>> ImportError: cannot import name rdBase
>> I see rdBase.so sitting in $RDBASE/build/rdkit and I've got it in my PATH,
>> PYTHONPATH and LD_LIBRARY_PATH...
>> Would anyone know, is this an issue of finding the module or is there a
>> problem with the way it was built?
>
> Did you do a "make install" after you did the "make"?
> rdBase.so should end up being put in $RDBASE/rdkit when you do this.
> Then you need to be sure that $RDBASE is in your PYTHONPATH and that
> $RDBASE/lib is in your LD_LIBRARY_PATH.
>
> -greg
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