[Q-e-developers] packaging quantum espresso for Debian

Georges Khaznadar georges.khaznadar at free.fr
Fri Feb 16 14:40:40 CET 2018


Hello Michael, hello everybody who replied my first e-mail on this list.

> q-e is being packaged here for Debian (and, by syncing Ubuntu):
> 
> https://salsa.debian.org/debichem-team/espresso

You are right, I can check that "apt-cache search quantum-espresso" yields:

  quantum-espresso - suite Electronic-Structure et Ab-Initio Molecular Dynamics
  quantum-espresso-data - Electronic-Structure and Ab-Initio Molecular Dynamics Suite (Documentation)

So, please forget my e-mail. I did the wrong search and believed falsely
that such an important package as quantum-espresso was not yet available
in Debian. I am glad to realize that this work has been done already.

> I don't have a lot of time for chemistry Debian packages right now, so
> if you would like to help with q-e packaging, that would be quite
> welcome.

Andreas Tille explained me once more how to do collaborative maintenance
in Debian, and last month, I succeeded to manage properly my first
"new" packages under the umbrella of the debian-science team.

About "lot of time to take care of chemistry Debian package": I cannot say
that I have such a resource either. But if there happens to be some
urgent task, and nobody able to perform it on time, I can do something.

Currently, quite a few of the 69 packages which I care are still
active (relatively short delays between releases, due to a progressive
stabilization of the upstream package, plus improvements from a growing
community), but the majority of the 69 packages can be considered as
stable (seldom upgrades are necessary).

Best regards,			Georges.

-- 
Georges KHAZNADAR et Jocelyne FOURNIER
22 rue des mouettes, 59240 Dunkerque France.
Téléphone +33 (0)3 28 29 17 70

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