Re: Bug#782543: ITP: gpaw -- DFT and beyond within the projector-augmented wave method
Hello
I did some work on the ASE package and am willing to help update it,
but this happened a long time ago so I would need some help doing it.
There was a conflict with a different package (due to a name clash of
an executable), and the ASE package was therefore taken out until a
new upstream release was made where the conflict had been resolved.
But the new package has taken a very long time to propagate from
unstable to testing! Anyway we should update the ASE package first
(let me start thinking about that) and then add the GPAW one.
I can also help with the packaging of GPAW itself. I think there are
several things that have to be cleaned up, we have to run help2man and
other things. The main constraint on my part is having time and not
knowing the procedures (having only made the original ASE package).
By the way libxc 2.0.3 is now in the repositories (as libxc1) which
means we have one thing less than anticipated to worry about.
Best regards
Ask
2015-05-31 17:44 GMT+02:00 Marcin Dulak <marcin.dulak@gmail.com>:
> 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 python-ase is somehow present in wheezy, but very outdated.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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