Re: Bug#782543: ITP: gpaw -- DFT and beyond within the projector-augmented wave method

On Fri, Jul 10, 2015 at 8:51 PM, Michael Banck <mbanck@debian.org> wrote:

On Fri, Jul 10, 2015 at 04:36:23PM +0200, Andreas Tille wrote:
> Apropos gpaw-setups: Since I can run `gbp buildpackage` in my clone her
> I did so but pbuilder was running into the following error:
>
> pbuilder-satisfydepends-dummy : Depends: gpaw-setups which is a virtual package.
>
> It seems you need to package gpaw-setups first if this is a
> build-dependency of gpaw. (BTW, please remove the ',' at the end
> of the last Build-Depends.)

I assume those pseudopotentials are required to run the test suite?

In that case, what we've been doing with other packages is just shipping
the minimum required data files to run the test cases as patches in the
Debian packaging, this might work for GPAW as well.

That depends on course on how many different PPs the testsuite needs, if
the answer is "most of them", then yeah, Build-Depending on gpaw-setups
sounds ok.

in my opinion the software should be shipped functional, i.e. the whole release of gpaw-setups.

It will take a beginner user few seconds to do "apt-get install gpaw", but if gpaw-setups are

mutilated it will take him maybe half a day (if ever) to figure out that he is missing some data,

find where to download them, which version, how and where to install them, and which

environment variables to set in order to use them.

I see that for example https://packages.debian.org/jessie/all/abinit-data/filelist includes

all elements from the periodic table, and has the size of ~40MB.

In any case, I think the binary package should just be called
"gpaw-data" in line with other scientific packages. It's fine to keep
the source package name as gpaw-setups, of course.

let's keep gpaw-setups. This name is known to all the users of the program,

and gpaw-setups packaged under the same name on Fedora/CentOS.

Marcin

Michael

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