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



Hi Ask,

could you update the python-ase on Debian?

Best regards,

Marcin

On 05/30/2015 02:39 AM, Marcin Dulak wrote:
Hi,

On 05/05/2015 03:49 PM, Andreas Tille wrote:
On Mon, May 04, 2015 at 05:34:22PM +0200, Marcin Dulak wrote:
1. subscribed to https://lists.debian.org/debian-science/
2. created account at https://alioth.debian.org/
3. uploaded the public key at
https://alioth.debian.org/account/editsshkeys.php

I'm unable to ssh after 24 hours (by the way to ssh where? I'm
trying to git.debian.org) maybe
due to the fact, as the https://wiki.debian.org/Alioth/SSH states:
"You have to be a member of at least one project to be able to login
via ssh"
I'm unable to figure out how to add myself to a project (I guess
debian science?)
After login in to the web interface of alioth you should find a link to
ask for membership.  You will find it when going to

     https://alioth.debian.org/projects/debian-science/

in the end of the list of members on the right.
thanks to https://lists.debian.org/debian-science/2015/05/msg00027.html
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?

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python-ase is somehow present in wheezy, but very outdated.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.

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?

Best regards,

Marcin

What's next? I guess you have many users asking for this - why not
updating the documentation with ALL necessary steps?
Please provide a patch for the docs which seem to be clear to you.  It
is sometimes hard for people to write docs who passed all this hurdles
long time ago.

Kind regards

        Andreas.




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