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

[Ask Hjorth Larsen]

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