[Debichem-devel] quantum espresso

[Michael Banck]

Hi Ivo,

I am CCing the debichem-devel mailing list on my reply, I hope you don't
mind.

On Mon, Aug 24, 2015 at 12:26:26PM +0200, Ivo Batistic wrote:
> I like quantum espresso very much, and I like it to be in
> debian distribution.
 
Great!

> I have install that package 'how-can-i-help', and I saw
> that message that quantum espresso is going to be removed
> from the distribution. That help is needed.
> 
> I am willing to help, though I am not sure what that implies,
> and what I can actually do.
> 
> I do have some experience in compiling things, eg. quantum espresso 5.2,
> but I guess this might not be enough.

The problem with quantum-espresso is that it does not build with GCC5,
which is the default in unstable since a while ago:

https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=777843

More specificall, it is about GFortran changing the Fortran module
format, so packages shipping Fortran90 modules need to be rebuilt.

We have discussed how to go forward here last week at DebConf, and I
think the best way would be to manually add the Depends: gfortran-mod-14
virtual package as Depends (possibly by using the mechanism Matthias
Klose came up with in
https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=714730#66 )

Then, espresso just would need to be rebuilt against the new elpa
package.

Graham, do you agree?


Michael