[Debichem-devel] Bug#790803: ITP: amp -- atomistic machine-learning potentials

[Muammar El Khatib]

Hi Graham,

On Tue, Oct 18, 2016 at 05:33:42PM +0200, Graham Inggs wrote:
> Hi Muammar
>
> Sadly, this fell off my radar. :(


It's ok :).

>
> On 18 October 2016 at 17:00, Muammar El Khatib <muammar at debian.org> wrote:
> > I am interested in participating in the packaging of amp. I recently
> > joined Prof. Peterson's group as postdoctoral research associate at
> > Brown, and thus I will be involved in amp (use/development). I would
> > be glad if you let me know how I can help you with.
>
> I did have a problem with relative imports when running the tests.  I
> ended up repacking the tarball and moving some of the files and
> directories into a directory named amp which seemed to improve things.

I think there are some problems related to those imports, I will take a look at
that as well from here.

>
> Is v0.4.1 the version we should be working on, or can you tag
> something more recent?
>

I discussed with Peterson and Alireza, and there is a new version on the go
(v0.5.0, maybe in a month or something). What we could do is to work on
snapshots from master (that is the development branch). What do you think?.

Are you working on a git repo available in the debian platform?, if so, could you
point me out to it?. I will be playing around with amp in the following days and
I could help with the packaging.

Regards,
--
Muammar El Khatib.
http://muammar.me | http://proyectociencia.org