[ase-users] Import Jacapo Calculator

[Hesam]

Many Thanks Marcin,

I have installed scientific python on windows. However when I try to import
ase.calculators.jacapo I get the following error:

>>> import ase.calculators.jacapo
Traceback (most recent call last):
  File "<stdin>", line 1, in <module>
  File "C:\Python27\lib\site-packages\ase\calculators\jacapo\__init__.py",
line 16, in <module>
    from jacapo import *
  File "C:\Python27\lib\site-packages\ase\calculators\jacapo\jacapo.py",
line 20, in <module>
    from Scientific.IO.NetCDF import NetCDFFile as netCDF
  File "C:\Python27\lib\site-packages\Scientific\IO\NetCDF.py", line 169,
in <module>
    from Scientific_netcdf import *
ImportError: DLL load failed: %1 is not a valid Win32 application.

Is there any package with all libraries in it? Since I installed pythonxy
and I thought it contains all the libraries.

Thanks
Hesam

On Sun, Sep 16, 2012 at 5:33 AM, Marcin Dulak <Marcin.Dulak at fysik.dtu.dk>wrote:

>  On 09/16/12 03:58, Hesam wrote:
>
> Hi,
>
>  yes, you need ScientificPython version at least 2.8 with netcdf support.
> On ubuntu:
> sudo apt-get install python-scientific
>
> Marcin
>
>  When I want to import from jacapo calculator I got the error that it
> couldn't find Scientific module.
> Where is that module? Do I need to install some other package?
>
>  >>> from ase.calculators.jacapo import *
>
>  Traceback (most recent call last):
>   File "<pyshell#8>", line 1, in <module>
>     from ase.calculators.jacapo import *
>   File "C:\Python27\lib\site-packages\ase\calculators\jacapo\__init__.py",
> line 1, in <module>
>     import Scientific
> ImportError: No module named Scientific
>
>  I can successfully import ase itself but when I try to import from
> jacapo I get the error.
> Thanks
>
>
>
> --
> ***********************************
>
> Marcin Dulak
> Technical University of Denmark
> Department of Physics
> Building 307, Room 229
> DK-2800 Kongens Lyngby
> Denmark
> Tel.: (+45) 4525 3157
> Fax.: (+45) 4593 2399
> email: Marcin.Dulak at fysik.dtu.dk
>
> ***********************************
>
>
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