Re: [cclib-devel] PyVib2

[Noel O'B. <bao...@gm...>]

On 24/02/07, Maxim Fedorovsky <Max...@un...> wrote:
>        Dear developers of cclib,
>
>     I have started a Python project, called PyVib2
> http://pyvib2.sourceforge.net/ , which probably could be interesting for
> you.

Indeed it is. Very impressive, although I must admit that I wasn't
able to open any files due to an error with VTK on Windows (see end of
message for the text, but I think that this error has nothing to do
with pyvib2).

However, I can see it's a very useful program. As I said to you in an
earlier email, we would be very interested in integrating cclib and
pyvib2. From our point of view, this would basically involve
extracting some extra information from the output files of the
different programs with your guidance. By the way, some nice features
of cclib that you may not be aware of are automatic detection of the
appropriate parser for a particular file, and the ability to handle
.gz, .tar, .zip, and .bz2 files.

What do you think?

Regards,
    Noel

Error message follows:
>>>>>>>>>>>>>>>>>>>>>>>>>>
couldn't load library "vtkRenderingPythonTkWidgets.dll": this library
or a dependent library could not be found in library path

Traceback :
  File "C:\Python24\Lib\site-packages\pyviblib\gui\main.py", line 378,
in __open_file
    self.__append_molecule(mol, parser)
  File "C:\Python24\Lib\site-packages\pyviblib\gui\main.py", line 285,
in __append_molecule
    check_command=self.__update_GUI)
  File "C:\Python24\Lib\site-packages\pyviblib\gui\widgets.py", line
6013, in __init__
    BaseWidget.__init__(self, **kw)
  File "C:\Python24\Lib\site-packages\pyviblib\gui\widgets.py", line
127, in __init__
    self._constructGUI()
  File "C:\Python24\Lib\site-packages\pyviblib\gui\widgets.py", line
6043, in _constructGUI
    self._varsdict['renderWidget'] = MoleculeRenderWidget(self, **kw)
  File "C:\Python24\Lib\site-packages\pyviblib\gui\widgets.py", line
324, in __init__
    vtktkrw.vtkTkRenderWidget.__init__(self, master,
  File "C:\Python24\lib\site-packages\vtk_python\vtk\tk\vtkTkRenderWidget.py",
line 84, in __init__
    vtkLoadPythonTkWidgets(master.tk)
  File "C:\Python24\lib\site-packages\vtk_python\vtk\tk\vtkLoadPythonTkWidgets.py",
line 63, in vtkLoadPythonTkWidgets
    interp.call('load', filename)

VTK don't provide a binary with the Python interface, so I got it from:
    http://mayavi.sourceforge.net/dwnld/vtk/win32/