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Re: Bug#782543: ITP: gpaw -- DFT and beyond within the projector-augmented wave method



Hi,

On 05/31/2015 04:51 PM, Michael Banck wrote:
Hi,

On Sat, May 30, 2015 at 02:39:11AM +0200, Marcin Dulak wrote:
i managed to create a repository for gpaw at
http://anonscm.debian.org/cgit/debian-science/packages/gpaw.git
(for the moment it's empty), but encountered several problems when
trying to created a package locally on a jessie amd64:

1. gpaw depends on gpaw-setups
(https://wiki.fysik.dtu.dk/gpaw/setups/setups.html)
which is ~50MB of data without which gpaw won't work. gpaw and
gpaw-setups are versioned separately
and gpaw-setups are updated separately from gpaw upstream. Should I
open a separate ITP for gpaw-setups?
Yeah, as you did. You wrote the license of those data files was GPLv3,
if that is the case, great, cause scientific data files can be a pain to
deal with in Debian.
yes, gpaw is GPL-3+ also gpaw-setups.

2. gpaw depends on python-ase, which, in jessie: "E: Package
'python-ase' has no installation candidate".
python-ase is somehow present in wheezy, but very outdated.
I'm trying to contact the maintainer to update python-ase in jessie.
It's a pity python-ase is not in jessie, but for the purpose of getting
gpaw into Debian, only unstable (and the next Debian release, stretch)
is relevant. There is a version 3.8.1 of python-ase in testing/unstable,
is that sufficient?
yes

If you want to backport gpaw to jessie later on, I guess python-ase
needs to be backported as well.
3. For the purpose of packaging I'm installing both gpaw-setups and
python-ase (on jessie amd64)
from http://download.opensuse.org/repositories/home:/dtufys/Debian_7.0/amd64/
and getting an error from debuild -us -uc:
...
dpkg-source: info: building gpaw using existing
./gpaw_0.10.0.11364.orig.tar.gz
dpkg-source: info: local changes detected, the modified files are:
  gpaw-0.10.0.11364/configuration.log
...
It looks to me like the configuration.log file, which is written
during compilation of gpaw
is treated as a source modification.

I'm using the following debian/rules
#####################################
#!/usr/bin/make -f

DH_VERBOSE=1

PYTHON2=$(shell pyversions -vr)

%:
         dh $@ --buildsystem=python_distutils --with=python2

test-python%:
         set -ex && mkdir tmp && cd tmp && \
         PYTHONPATH=../ python$* ../tools/gpaw-test && \
         cd - && rm -rf tmp; \

override_dh_auto_test: $(PYTHON2:%=test-python%)
#####################################

Any suggestions?
You should remove it in the clean: target of your debian/rules.  If you
use dh, this should work:

override_dh_auto_clean:
	rm -f configuration.log
thanks, that works.

I have another question (sent already to debian-mentors https://lists.debian.org/debian-mentors/2015/05/msg00258.html).
I don't know how to upload the package to (?)
http://anonscm.debian.org/cgit/debian-science/packages/gpaw.git

Best regards,

Marcin


Alternatively, get the upstream build system modified to remove that
logfile during cleanup, if it is doing any.


Michael


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