[Debichem-devel] [Pkg-scicomp-devel] Package categories

[George Serbanut]

Hi Ondrej and Chris,

I know what means DFT (even if I am not chemist; my girlfriend is :D) and I
was looking for a software which can do DFT. I was even tempted to write it
myself, but I noticed the efforts from the Cornell University, so, I decided
to give it a chance.

I would package the DFT++, but next week I start my vacation and I planned
for this year a long trip by bike, so, I won't be able to do anything by the
end of September (my holiday is not so long, even if I wish for such one
:D). If nobody will do it by then,  I will try to do it.

On Thu, Jul 31, 2008 at 3:34 PM, Ondrej Certik <ondrej at certik.cz> wrote:

> On Thu, Jul 31, 2008 at 1:54 PM, Chris Walker
> <chrisw at chiark.greenend.org.uk> wrote:
> > "George Serbanut" <george.serbanut at gmail.com> writes:
> >
> >> Hi everyone,
> >>
> >> May I ask you what version of DFT you want to put into the repository?
> (The
> >> DFT++ coming from Cornell?) That's because I am interested in getting it
> (I
> >> was thinking to install it myself).
> >
> >
> > I used DFT to mean "Density Functional Theory". There are several
> > programs that perform calculations using this technique (including
> > DFT++).
> >
> > Searching the unstable distribution for "Density functional theory" at
> > http://packages.debian.org/ brings up the following packages which
> > mention DFT:
> >
> > abinit, mpqc, openmx
> >
> > As far as I can tell, DFT++ is not packaged, and there is no ITP/RFP
> > bug saying it will be packaged, or requesting that it be packaged.
>
> It'd be nice if someone could package DFT++ package. I packaged abinit
> and openmx, but don't have time for another one. :)
>
> Ondrej
>
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