[gpaw-users] gpaw-python unable to import modules

[Alex Eftimiades]

Thanks for explaining.
Please let me know when you fix this and/or if there are any quick  
temporary hacks so I can continue the simulations.

Thanks again,
Alex

On Nov 15, 2011, at 7:05 AM, Ask Hjorth Larsen wrote:

> Hi
>
> On Tue, 15 Nov 2011, Marcin Dulak wrote:
>
>> Hi,
>>
>> can you run:
>> python -c "import sys; print sys.path"
>> and
>> mpirun -np 4 gpaw-python -c "import sys; print sys.path"
>>
>> Is avogadro path there?
>>
>> Marcin
>>
>> Alex Eftimiades wrote:
>>> I am using avogadro's python extension to determine bonding in my
>>> setup. Everything works just fine with regular
>>> python script.py
>>>
>>> But when I use mpirun -np 4 gpaw-python script.py
>>> I get
>>> ImportError: No module named Avogadro
>>>
>>> The line is particular is:
>>> from Avogadro import Molecule, MoleculeFile
>>>
>>> This seems like it ought to be an easy fix. I just do not know how  
>>> to
>>> go about doing it. I am running 64bit ubuntu 11.10 and I insalled  
>>> gpaw
>>> and ase via the ppa. Everything should be up to date.
>>>
>>> Thank you,
>>> Alex
>
> This is because gpaw-python has to be compiled with a specific  
> python version, and avogadro uses 2.7 (only) while GPAW uses 2.6  
> (although that limitation pertains only to gpaw-python).  However,  
> since Ubuntu actually uses python2.7 in oneiric, we should change  
> the GPAW package to reflect that.  I'll try to fix this.
>
> Regards
> Ask