Hi there,
that is correct, it is without libvdwxc at the moment though (GPAW has it's own vdw-xc implemenation) -- l'll try to make a pull request tonight (or tomorrow)! Best wishes Mikkel ________________________________ From: Jakob Schiøtz Sent: Friday, June 29, 2018 3:20:00 PM To: [email protected] Cc: Mikkel Strange Subject: Re: [easybuild] Installing static data files for applications Hi, Mikkel Strange her at CAMD is writing such .eb files right now. GPAW-1.4.0 and the GPAW setups as separate modules. Mikkel: I CC you on this email. Maybe you can explain what you are doing, or just make a pull request soon. Best regards Jakob > On 28 Jun 2018, at 18:52, Mikael Öhman <[email protected]> wrote: > > I'm looking at creating a config for GPAW-1.4.0 (with libvdwxc), and a user > requested us to also provide the data-sets. > > GPAW's installation instructions basically asks users to take of this > normally, by running > $ gpaw install-data <dir> > but I think it makes sense to provide this data as well. > > I see some alternatives: > 1. Don't do anything and just leave it to users to do this themselves. > 2. Add a post-install step that basically does > curl http://wordpress.org/latest.tar.gz | tar xvz > into a suitable directory > 3. Create "Atomic-PAW-0.9.2-dummy.eb" that just contains the dataset. Maybe > add it as a dependency, or just provide it (but leaving the option for users > to pick another method, in case they need a different data-set for some > reason). > > I'm tempted to do option 3, without any dependencies, and just let users > opt-in to use them when suitable. Win-win? > > Best regards, Mikael -- Jakob Schiøtz, professor, Ph.D. Department of Physics Technical University of Denmark DK-2800 Kongens Lyngby, Denmark http://www.fysik.dtu.dk/~schiotz/
