Re: [Pkg-scicomp-devel] Package categories

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@certik.cz> wrote:

On Thu, Jul 31, 2008 at 1:54 PM, Chris Walker
<chrisw@chiark.greenend.org.uk> wrote:
> "George Serbanut" <george.serbanut@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