[Debian-pan-maintainers] XrayLarch & Fortran

[FARHI Emmanuel]

Many thanks Niel for your efforts. 
FEFF is a corner-piece for absorption spectroscopy data treatment (via Larch, iFEFFit and Horae for instance).

iFEFFit already contains a FEFF 6 version built as /usr/bin/feff6 (see https://packages.debian.org/unstable/ifeffit and https://salsa.debian.org/science-team/ifeffit/-/tree/master/src/feff6). 

I guess a similar Makefile and packaging can be used for FEFF 8 in LARCH (which also provides FEFF6 binaries).

Emmanuel.

----- Mail original -----
De: "PICCA Frederic-Emmanuel" <frederic-emmanuel.picca at synchrotron-soleil.fr>
À: "Emmanuel FARHI" <farhie at synchrotron-soleil.fr>
Envoyé: Mercredi 9 Février 2022 17:15:50
Objet: Fwd: Re: XrayLarch & Fortran

----- Mail transféré -----
De: Neil Williams <neil at freexian.com>
À: PICCA Frederic-Emmanuel <frederic-emmanuel.picca at synchrotron-soleil.fr>
Cc: Sébastien Delafond <seb at freexian.com>
Envoyé: Wed, 09 Feb 2022 16:09:47 +0100 (CET)
Objet: Re: XrayLarch & Fortran

Hi,

Andrius Merkys has been able to help with the Fortran packaging - he &
I have been working on cctbx and waiting to use xraylarch as a test
case. There are some issues to solve but I have a test package of this
Fortran code now, built as a normal Debian package.

Neil

On Wed, 9 Feb 2022 at 10:08, Neil Williams <neil at freexian.com> wrote:
>
> Hi,
>
> To package xraylarch, there is some Fortran code that also needs to be packaged:
> https://github.com/xraypy/feff85exafs
>
> My knowledge of Fortran is very close to zero and I'm wondering if you
> would be able to package and maintain feff85exafs ? If not, do you
> know who would be able to package some Fortran for Debian?
>
> Testing feff85exafs involves a circular dependency on xraylarch and a
> Python package which is not currently packaged, called chevron.
> Chevron could potentially be replaced by pystache because, in Debian,
> pystache is an updated fork which addresses the reasons why chevron
> was forked from the original pystache in the first place. However, I
> can't really make that judgement without knowing more about how the
> Fortran tests should behave. I'd like to think that feff85exafs could
> be patched to use the updated pystache fork already in Debian instead
> of needing another fork of the original pystache to be packaged.
>
> I'm hoping that if feff85exafs is packaged, it could run its tests
> only in autopkgtest and not in the build, then xraylarch can depend on
> the libraries built by feff85exafs (libfeff8lpath.so and
> libfeff8lpotph.so). (How does Fortran handle shared library versions?)
>  During the work to package feff85exafs, a temporary xraylarch package
> can be made available to support local test runs.
>
> So feff85exafs would initially be packaged without autopkgtest support
> in Debian (it could have autopkgtest support in Salsa). Then xraylarch
> can be packaged to use feff85exafs as a B-D. Finally, feff85exafs
> autopkgtests could be enabled with a runtime dependency on xraylarch.
>
> Both xraylarch and feff85exafs would need to be repacked for DFSG to
> remove the precompiled binaries, enabling each to be uploaded to main.
>
> Is this feasible?
>
> Thanks
>
> --
> Neil Williams
>
> neil at freexian.com
> https://linux.codehelp.co.uk/