Re: [cclib-devel] cclib debs

[Karol L. <kar...@kn...>]

On Monday 04 June 2007 11:19, Noel O'Boyle wrote:
> > 3. Would you be interested in seeing debs of GaussSum and/or PyMOLyze?
> > I'm not aware if any exist already.
>
> GaussSum's already in there.
Yes, now I see.

> > 4. A testing issue has occured to me while testing the packages. It
> > should be possible to run the test suite we have from the Python
> > interpreter. I think that adding this is a good idea for the next
> > release, together with an option in setup.py to install the test scripts
> > and data files. What are you poinions on this?
>
> Well, I think you should see how this is done for other packages
> first. The general recommendation is that "python setup.py test"
> should run the tests. But I think you are suggesting something beyond
> this.
Sure, "python setup.py test" is the standard. I was thinking of something like 
numpy.test(), which runs the NumPy test suite for the installed package. What 
are your feelings about something like this? For cclib, that means copying 
the data files during installation

> To be honest, I'm not very interested in getting cclib into any of the
> distributions. Of course, you are welcome to do it. However, since the
> API has not currently settled, you are going to have problems if some
> program, e.g. PyMOlyze/GaussSum, starts to depend on it. Basically,
> you will find it difficult ever to upgrade it if the API changes.
> Also, cclib has optional dependencies on openbabel, BioPytho, PyQuante
> (and pyvtk?), which will need to be sorted out. I don't mean to
> discourage you, but I don't know if it's a good thing to be stuck with
> a version of cclib in Debian that's 1.5 years out of date, especially
> when Python packages are pretty easy to install, and cclib has been
> changing a lot from one release to the next.
I totally understand, this was more or less the answer I was expecting :), and 
I made these debs mostly out of curiousity.

> I'd actually be more 
> interested in getting a Python egg together for
> ez_setup.py/setuptools. I don't know what the current situation is
> with eggs and Debian though.
Well, if you have setuptools installed and put this in setup.py:
try:
    from setuptools import setup
except ImportError:
    from distutils.core import setup
and run "python setup.py bdist_egg", you get ann egg that should be ready to 
go (I'm attaching it). Should I add this code along with other stuff 
(dependency info, etc.) to the trunk? As far as Debian is concerned, 
installing the package python-setuptools lets you use eggs.

Cheers,
Karol

-- 
written by Karol Langner
Mon Jun  4 11:42:16 CEST 2007