VMD-L Mailing List

From: Nuno R. L. Ferreira (nunolf_at_ci.uc.pt)
Date: Tue Jul 19 2005 - 13:41:57 CDT

Hi *
   
I already asked this question once (29Mar05 - Python, numpy, and so
on ....), but
since than, I had lots of other stuffs to do. So, I'm re-asking again, cause
I really want to get this plugin up and running.
I apologize J. Stone, since at that time, he tryed to give me some clues.
   
I'm running vmd 1.8.3 on a linux box (Mandrake 10.1).
After installing vmd on my box, when calling ied I get:
   
vmd > gopython /home/nuno/software/ied/ied-2.02/ied.py
Info) Starting Python...
Could not find platform independent libraries <prefix>
Could not find platform dependent libraries <exec_prefix>
Consider setting $PYTHONHOME to <prefix>[:<exec_prefix>]
'import site' failed; use -v for traceback
Could not find Numeric Python version 22.0.
ImportError: No module named numeric_version
Info) Text interpreter now Python
Traceback (most recent call last):
  File "VMD", line 19, in ?
ImportError: No module named vmdnumpy
Info) Text interpreter now Tcl
Traceback (most recent call last):
  File "<string>", line 1, in ?
  File "/opt/vmd1/scripts/python/Tkinter.py", line 59, in ?
    import _tkinter # If this fails your Python may not be configured for Tk
ImportError: No module named _tkinter
   
   
Ok. After reading the mailing list, it is said that python 2.2 and Numeric
22.0 is needed. My box has python 2.3 and a newer version of numpy.
  
J. Stone posted pre-built python libraries on vmd site. After exporting
PYTHONHOME (export PYTHONHOME=/opt/lib_LINUX-rh9-with-fpectl), I've tryed to
install a fresh vmd.
   
This time, when I call ied I get:
   
vmd > gopython /home/nuno/software/ied/ied-2.02/ied.py
Info) Starting Python...
Info) Text interpreter now Python
Traceback (most recent call last):
  File "VMD", line 21, in ?
  File "/opt/vmd/scripts/python/Tkinter.py", line 59, in ?
    import _tkinter # If this fails your Python may not be configured for Tk
ImportError: libtk8.3.so: cannot open shared object file: No such file or
direct
ory
Info) Text interpreter now Tcl
Traceback (most recent call last):
  File "<string>", line 2, in ?
AttributeError: 'module' object has no attribute 'tkinter'
   
Numpy does not give me any error, but I get an error similar to what was
reported by other users. I do not understand why python is calling a tk8.3
shared object. LM10.1 has tk/tcl 8.4 installed !!!
 
It seems as if something wrong is happening with tcl/tk.
 
Some insights about this?
Nuno
 
P.S. Options used to install vmd, were the default ones:
LINUX OPENGL ACTC FLTK TK IMD SPACEBALL LIBTACHYON VRPN TCL PYTHON PTHREADS
NUMPY SILENT
 
    
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Nuno Ricardo Santos Loureiro da Silva Ferreira
Ph.D student
Grupo de Química Biológica
Departamento de Química
Faculdade de Ciências e Tecnologia
Universidade de Coimbra
3004-535 Coimbra
Portugal
www.biolchem.qui.uc.pt
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\" Do not worry about your dificulties in mathematics.
   I can assure you that mine are still greater.\"
                                       e=mc2
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