Hi, I'm trying to install RDKit for access from Python.
I'm using Enthought Python Distribution (academic) on Mac OS X 10.7
(located in /Library/Frameworks/EPD64.framework). I've installed boost
through MacPorts in /opt/local.
export RDBASE=~/src/rdkit
export DYLD_LIBRARY_PATH=$RDBASE/lib:/opt/local
export PYTHONPATH=$PYTHONPATH:$RDBASE
cd $RDBASE
mkdir build && cd build
cmake -D
PYTHON_LIBRARY=/Library/Frameworks/EPD64.framework/Versions/Current/lib/python2.7/config/libpython2.7.a
\
-D
PYTHON_INCLUDE_DIR=/Library/Frameworks/EPD64.framework/Versions/Current/include/python2.7/
\
-D
PYTHON_EXECUTABLE=/Library/Frameworks/EPD64.framework/Versions/Current/bin/python
..
make
sudo make install
cd ..
python setup.py build
sudo python setup.py install
('python' is linked to the Enthought Python executable so I am sure it's
not a conflict there).
In any case, I get the error:
>>> from rdkit import Chem
Traceback (most recent call last):
File "<stdin>", line 1, in <module>
File
"/Library/Frameworks/EPD64.framework/Versions/Current/lib/python2.7/site-packages/rdkit/Chem/__init__.py",
line 18, in <module>
from rdkit import rdBase
ImportError:
dlopen(/Library/Frameworks/EPD64.framework/Versions/Current/lib/python2.7/site-packages/rdkit/rdBase.so,
2): Library not loaded: libRDGeneral.1.dylib
Referenced from:
/Library/Frameworks/EPD64.framework/Versions/Current/lib/python2.7/site-packages/rdkit/rdBase.so
Reason: image not found
But the image does exist:
$ ls -lah
/Library/Frameworks/EPD64.framework/Versions/Current/lib/python2.7/site-packages/rdkit/*.so
shows
-rwxr-xr-x 1 root wheel 1.7M Feb 2 15:41
/Library/Frameworks/EPD64.framework/Versions/Current/lib/python2.7/site-packages/rdkit/rdBase.so*
And
$ find $RDBASE -iname "libRDGeneral.1.dylib"
shows that it exists in $RDBASE/lib/
/Users/hatmatrix/src/rdkit/build/lib/libRDGeneral.1.dylib
/Users/hatmatrix/src/rdkit/lib/libRDGeneral.1.dylib
There was a similar error message reported on this thread:
http://www.mail-archive.com/[email protected]/msg01873.html
with a solution that the RDKit lib/ directory needed to be defined in
DY_LIBRARY_PATH.
so I've added this statement
export DY_LIBRARY_PATH=$RDBASE/lib
which does not work; I wasn't sure if this environment variable needed to
be set before installation along with RDBASE, DYLD_LIBRARY_PATH, and
PYTHONPATH, so I deleted the build/ directory and rebuilt it after setting
this variable. However, I still get the same error.
I would appreciate any further advice.
Many thanks.
hm
------------------------------------------------------------------------------
Everyone hates slow websites. So do we.
Make your web apps faster with AppDynamics
Download AppDynamics Lite for free today:
http://p.sf.net/sfu/appdyn_d2d_jan
_______________________________________________
Rdkit-discuss mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
