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



On 04/15/2015 01:32 PM, Andreas Tille wrote:
Hi Marcin,

it seems this package is a nice target for the Debian Science team.  So
I'mm CCing the Debian Science list and hope you will consider to
maintain this package inside the team.  In this case you could profit
from Sponsering of Blends

    https://wiki.debian.org/DebianPureBlends/SoB
I guess the GPAW's place is here: https://wiki.debian.org/DebianScience/Physics
There are already two similar packages there: Abinit, Openmx.
But in order to understand how blends work (after reading few chapters of http://blends.debian.org/blends/) a question: why nwchem (https://packages.debian.org/sid/nwchem) is not listed at https://wiki.debian.org/DebianScience/Chemistry ?
In any case how do we proceed further with GPAW?

Best regards,

Marcin

Thanks for working on this interesting package

      Andreas.

On Tue, Apr 14, 2015 at 12:06:20AM +0200, Ubuntu Administrator wrote:
Package: wnpp
Severity: wishlist
Owner: marcindulak <Marcin.Dulak@gmail.com>

* Package name    : gpaw
   Version         : 0.10.0.11364
   Upstream Author : GPAW-community <gpaw-developers@listserv.fysik.dtu.dk>
* URL             : https://wiki.fysik.dtu.dk/gpaw/
* License         : GPLv3+
   Programming Lang: C, Python
   Description     : DFT and beyond within the projector-augmented wave method

GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE). It uses real-space uniform grids and multigrid methods, atom-centered basis-functions or plane-waves.

I actually maintain the GPAW packages for Debian 6, 7 and Ubuntu LTS under
https://build.opensuse.org/package/show/home:dtufys/gpaw-0.10.0
but I would like GPAW gets officially into Debian.

I need a sponsor.


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