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 <[EMAIL PROTECTED]> wrote: > On Thu, Jul 31, 2008 at 1:54 PM, Chris Walker > <[EMAIL PROTECTED]> wrote: > > "George Serbanut" <[EMAIL PROTECTED]> 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 >
