Dear all,
I write this Email to report a bug/problem for the combination RDKit &
MacPorts that has kept me busy for two days.
After recompiling a new version of boost I managed to install rdkit on my
OS X 10.8 mac, otherwise using the libraries provided by MacPorts. As far
as I can tell, RDKit works, but a lot of the other python modules that
provide graphical output like matplotlib, Tkinter etc. do not work any
more. For example, when trying to import Tkinter into python I get the
following error:
##########
In [1]: import Tkinter
---------------------------------------------------------------------------
ImportError Traceback (most recent call last)
<ipython-input-1-a0c812564da3> in <module>()
----> 1 import Tkinter
/opt/local/Library/Frameworks/Python.framework/Versions/2.7/lib/python2.7/lib-tk/Tkinter.py
in <module>()
37 # Attempt to configure Tcl/Tk without requiring PATH
38 import FixTk
---> 39 import _tkinter # If this fails your Python may not be configured
for Tk
40 tkinter = _tkinter # b/w compat for export
41 TclError = _tkinter.TclError
ImportError:
dlopen(/opt/local/Library/Frameworks/Python.framework/Versions/2.7/lib/python2.7/site-packages/_tkinter.so,
2): Symbol not found: __cg_jpeg_resync_to_restart
Referenced from:
/System/Library/Frameworks/ImageIO.framework/Versions/A/ImageIO
Expected in: /opt/local/lib/libJPEG.dylib
in /System/Library/Frameworks/ImageIO.framework/Versions/A/ImageIO
##########
After a long search, it turned out that this is because I have to set the
DYLD_LIBRARY_PATH for RDKit, which is incompatible with MacPorts. When I
remove the DYLD_LIBRARY_PATH statement from my ~/.bash_profile and
/etc/bashrc, Tkinter an matplotlib work, but RDKit does not work any more.
Also, RDKit does not work using the DYLD_LIBRARY_FALLBACK_PATH instead.
When googling for the DYLD_LIBRARY_PATH issue, I find quite a number of
comments that suggest to not use this variable.
So here is my question: Is it possible to remove the necessity to have the
DYLD_LIBRARY_PATH set for rdkit in a future version? Or this there another
workaround to get RDKit and matplotlib installed via MacPorts running?
Cheers from Innsbruck,
Christian
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