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Re: abinit



Dear Ólafur,

I'm a developer of Abinit and coordinating internally the packaging
efforts. Sorry for the delay in joining the discussion, I was very busy
with other topics over the last weeks.

Le Thu, 19 Apr 2012 12:12:58 +0200,
Michael Banck <mbanck@debian.org> a écrit :

> 2. The source package situation could be better explained, "Package is
> no longer dfsg, source for documentation is provided" was not very
> clear to me.  Maybe "Drop dfsg from upstream version number as the
> offending issues have been addressed".

I confirm that the documentation of Abinit is now DFSG-compliant. I
added the missing source files myself a while ago.

> 3. Likewise for "so it doesn't pull in extra libs", I believe you mean
> the build process would otherwise download some packages during
> configure and/or build time and use them.  I suggest "so no external
> libraries are downloaded and built during configure/build" or so.

The build system of Abinit is currently optimized to work on hostile
systems, i.e. clusters with incomplete and/or outdated development
environments, as well as for unskilled users. That's why its default is
to download the packages it needs. You'll probably have already figured
out that you should use the --disable-fallbacks option of configure for
packaging. I've put some useful information in the PACKAGING file at
the top of the source tree, that you may want to read (if not already
done).

Please note that we (the Abinit developers) are in the process of
packaging recent versions of Abinit, but following a different
approach: we are now packaging the above-mentioned dependencies of
Abinit first, in order to be able to propose a package with all options
enabled. This work is 85% complete today and I'll send some RFS soon.
More details here:

  http://blends.alioth.debian.org/science/tasks/nanoscale-physics

At present, you can configure the package with the following options :

  * --with-trio-flavor="netcdf+etsf_io";
  * --with-dft-flavor="libxc";
  * --with-fft-flavor="fftw3";

and use the corresponding --with-*-libs options to point to the
libraries. Please look at doc/config/build-config.ac in the source
tarball for more details.

My only concern here is to avoid duplicate efforts, therefore I'll be
very grateful if you keep me informed of your progress. Do not hesitate
to contact me should you need any information.

Best regards,

Yann.

-- 
Free Software is good for you.

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