Re: [cclib-devel] cclib debs

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

On 04/06/07, Karol Langner <kar...@kn...> wrote:
> 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
Sure, go for it - we can probably standardise the tests a bit more
too. I'm not sure what you mean regarding the data files. They are
currently installed by default, right?

> > 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 a version of cclib in Debian that's 1.5 years out of date, especially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.
Sounds like I'm becoming predictable :-)

> > 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).
OK, so that was easy! Go ahead and commit it, but please make sure
that our regular distributions are unchanged by this.

>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.
Sure, go ahead.

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