[Debichem-devel] jgromacs package seems useful

[Michael Banck]

Hi,

On Wed, May 16, 2012 at 08:02:16PM +0200, Steffen Möller wrote:
> On 05/16/2012 04:21 PM, Nicholas Breen wrote:
> > On Wed, May 16, 2012 at 03:52:00PM +0200, Michael Banck wrote:
> >> Cool! JGromacs has been on my radar, but I did not have to time to take
> >> a close look.
> > Likewise.  I expect we *could* get it into the next release, is the current
> > state of JGromacs stable enough that we could probably ship with this version?
> It was not updated since 2011 from what I understood. My student uses
> it. I think we should go ahead, stabilitywise.   I am notoriously bad
> with backports, otherwise I would not hesitate at all.

Ok, if you have somebody using it without major issues I'd say it should
get included.

One thing about README.source; I think if you do something fancy with
the original tarball, it would be best to supply a "get-orig-source"
script for the modifications.

I take you based you packaging on "jgromacs_v1_src.tgz"?

I just renamed the "source" directory inside the jgromacs tarball to
"jgromacs-1.0" here so far, and it build fine.  

You wrote you removed jama, I think it is fine to keep it even if it is
not used in the build.  Unless we have to remove it due to some
licensing issues, which I guess is not the case?


Michael