Bug#602126: Package ready

2012-05-31 Thread Ask Hjorth Larsen
Hi

2012/5/28 Michael Banck :
> On Mon, May 28, 2012 at 01:52:56PM +0200, Ask Hjorth Larsen wrote:
>> 2012/5/27 Michael Banck :
(...)
>> > 1. It might be a good idea to run testase on package build as well, e.g.
>> > to catch possible issues with different architectures (a long shot I
>> > guess, as it seems to be all-python)

testase will now run when the binary package is built.  python-numpy
has been added to Build-Depends.  The tests should pass on sensible
systems, and the installer will exit with nonzero status otherwise.

> Just point me at a new source package, once you finalized your changes.

  http://www.student.dtu.dk/~ashj/opendir/python-ase-package-jun1.tar.gz

Best regards
Ask



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Bug#602126: Package ready

2012-05-28 Thread Ask Hjorth Larsen
Hi

Thank you for looking at it so quickly.

2012/5/27 Michael Banck :
> 1. The changelog entry should not refer to ppa, and should read
> "unstable" as distribution.  If the package was never in Ubuntu, I would
> also suggest to remove all prior changelog entries and just have one
> entry saying "Initial upload (Closes: #602126)." or so.

So something like:

--
python-ase (3.6.0.2515-1) unstable; urgency=low

  * Initial upload (Closes: #602126).

 -- Ask Hjorth Larsen   Sun, 27 May 2012 02:32:46 +0200
-

Is that okay?

> 2. The copyright information seems to be incomplete, a quick recursive
> grep for "Copyright" in the ase/ directory yields at least CAMP, Jesper
> Friis and Neil Martinsen-Burrell as additional copyright holders.

I have written a comprehensive copyright file with the full list of
upstream authors (60+), and a precise copyright attribution.

> 3. io/fortranfile.py also has a BSD-like license which must be added to
> copyright.  Possibly other files have different copyright as well, I
> have not checked them all.

A few of the files turned out to have been included from other
projects with slightly different licenses.  I have listed all the
licenses and the corresponding files.

Here is the copyright file as it looks now:

http://www.student.dtu.dk/~ashj/opendir/ase-debian-copyright

Does it look acceptable?

> Those are suggestions and not required for upload:
>
> 1. It might be a good idea to run testase on package build as well, e.g.
> to catch possible issues with different architectures (a long shot I
> guess, as it seems to be all-python)

Hmmm.  But when building, the package is not installed.  So the tests
will not (generally speaking) run without also installing the runtime
dependencies.  I guess it is possible to run most of the tests, but
they would have to run from within the build/ directory which only
contains the .py files, since the actual pyc files only exist in the
package.  Is there a sort of automatic way to emulate that the package
gets installed, so that the tests can be run in a more straightforward
way?

> 2. If you want to maintain ASE as part of debichem, you should set
> "Debichem Team " as Maintainer
> in debian/control and set yourself as Uploaders:

The initial idea was for the package to be part of Debian Science.  I
don't mind it being part of Debichem.  I guess we can change it if
that turns out to be a better idea, but so far I have not changed
this.

> 3. The patch "debian-changes-3.6.0.2515-1~ppa3" in debian/patches should
> get split up into logical parts with descriptive file names each.
> However, if the next upstream version has this patch anyway, it might
> not be worth the effort.

Let's save the effort then :)

> 4. If all the changes mentioned in README.Debian are in the above patch,
> you do not need to mention them there and can delete the file

Since I refrain from cleaning up the patches, I guess it might be a
good service to let the description stay for now.

Thanks!

Regards
Ask



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Bug#602126: Package ready

2012-05-21 Thread Ask Hjorth Larsen
We have a package now which is ready to be uploaded.  So we would like
to have this bug promoted to an RFS.

Regards
Yann and Ask



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Re: Bug#602126: ITP: python-ase -- Atomic Simulation Environment

2011-02-14 Thread Ask Hjorth Larsen

Hi Michael

On Sun, 13 Feb 2011, Michael Banck wrote:


Hi,

On Mon, Nov 01, 2010 at 08:10:30PM +0100, Yann Pouillon wrote:

* Package name: python-ase
  Version : 3.4.1
  Upstream Author : Ask Hjorth Larsen 
* URL : https://wiki.fysik.dtu.dk/ase/
* License : GPL, LGPL
  Programming Lang: Python
  Description : Atomic Simulation Environment

The Atomic Simulation Environment (ASE) is the common part of the
simulation tools developed at CAMd. ASE provides Python modules for
manipulating atoms, analyzing simulations, visualization, and wrapping
electronic-structure codes.
..
It currently supports ABINIT, ASAP, DFTB, ELK, EXCITING, EMT, FHI-AIMS,
FLEUR, GPAW, HOTBIT, JACAPO, SIESTA, and TURBOMOLE.

This package will be part of the Debian Science nanoscale-physics
metapackage.


How is packaging going forward?  If this is not yet team-maintained, we
can propose to maintain it as part of the Debichem project (possibly
along with some/all of the other nanoscale-physics packages).


Regards,

Michael


I have a PPA package for Ubuntu here:

  https://launchpad.net/~campos-dev/+archive/campos

I guess a few things (like the fact that this should be for Debian and not 
for Ubuntu) have to be changed, but otherwise things should be in place 
with the possible exception of some policy issues.


With regards to maintenance, I'm not entirely clear on how we were going 
to do things in the first place.  Yann?


Regards
Ask


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Bug#602748: ITP: gpaw -- Real-space PAW-based electronic structure code

2010-11-07 Thread Ask Hjorth Larsen

Package: wnpp
Severity: wishlist
Owner: Ask Hjorth Larsen 

* Package name: gpaw
  Version : 0.7.2
  Upstream Author : Ask Hjorth Larsen 
* URL : https://wiki.fysik.dtu.dk/gpaw/
* License : GPL
  Programming Lang: Python, C
  Description : Real-space PAW-based electronic structure code

GPAW is a density-functional theory (DFT) Python code based on the 
projector-augmented wave (PAW) method. It uses real-space uniform grids 
and multigrid methods or atom-centered basis-functions.


This package will be part of the Debian Science nanoscale-physics 
metapackage.




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