[Debichem-devel] Review of Debichem tasks

[Andreas Tille]

Am Mon, Jan 23, 2023 at 10:03:52PM +0100 schrieb Michael Banck:
> Hi,
> 
> On Mon, Jan 23, 2023 at 10:59:07AM +0200, Andrius Merkys wrote:
> > On 2023-01-22 15:38, Michael Banck wrote:
> > > I've started to review the debichem tasks[1] and added a couple of
> > > packages that got recently into archive and pushed. Anybody else
> > > interested in adding their stuff befor I upload? I'll try to remember to
> > > do that in 1-2 weeks.
> > 
> > I have added a couple more packages [2]. Please review and merge.
> 
> Andreas was faster than me :)

Andrius != Andreas. ;-)

But I also added something: comet-ms 

Thanks a lot for this effort, I'm currently scratching my head over
Debian Science tasks.

As a hint what packages might need categorisation inside tasks you can
call the script

   https://salsa.debian.org/blends-team/website/-/blob/master/misc/sql/0-uncategorised.sh

with argument debichem to see what packages maintained by the Debichem
team that are not mentioned inside the tasks files.

I have added the current output of this script.

Hope this helps
    Andreas.

-- 
http://fam-tille.de
-------------- next part --------------
         source         |                                                              bin                                                               |                   changed_by                   
------------------------+--------------------------------------------------------------------------------------------------------------------------------+------------------------------------------------
 apbs                   | apbs, python3-apbslib, libapbs-dev, libapbs3, apbs-data, apbs-doc, libfetk-dev, libfetk1.9                                     | Michael Banck <mbanck at debian.org>
 avogadrolibs           | avogadro-utils, libavogadro2-1, libavogadro-dev, libavogadro-data, libavogadro-doc, python3-avogadro                           | Drew Parsons <dparsons at debian.org>
 chemicaltagger         | libchemicaltagger-java                                                                                                         | Andrius Merkys <merkys at debian.org>
 comet-ms               | comet-ms                                                                                                                       | Filippo Rusconi <lopippo at debian.org>
 cpptraj                | cpptraj                                                                                                                        | Andrius Merkys <merkys at debian.org>
 devicexlib             | libdevicexlib-dev                                                                                                              | Michael Banck <mbanck at debian.org>
 freesasa               | freesasa                                                                                                                       | Andrius Merkys <merkys at debian.org>
 ga                     | libglobalarrays-dev                                                                                                            | Drew Parsons <dparsons at debian.org>
 gau2grid               | python3-gau2grid, libgg2, libgg-dev                                                                                            | Michael Banck <mbanck at debian.org>
 gelemental             | gelemental, libelemental0, libelemental-dev, libelemental-doc                                                                  | Graham Inggs <ginggs at debian.org>
 gemmi                  | gemmi, gemmi-dev, python3-gemmi                                                                                                | Andrius Merkys <merkys at debian.org>
 gpaw-setups            | gpaw-data                                                                                                                      | Graham Inggs <ginggs at debian.org>
 inchi                  | libinchi-dev, libinchi1, libinchi-bin                                                                                          | Andrius Merkys <merkys at debian.org>
 jgromacs               | libjgromacs-java, libjgromacs-java-doc                                                                                         | Holger Levsen <holger at debian.org>
 jni-inchi              | libjni-inchi-java, libjni-inchi-jni                                                                                            | Andrius Merkys <merkys at debian.org>
 libecpint              | libecpint-dev                                                                                                                  | Michael Banck <mbanck at debian.org>
 libfplus               | libfplus-dev                                                                                                                   | Filippo Rusconi <lopippo at debian.org>
 libghemical            | libghemical-dev, libghemical5v5, libghemical-data                                                                              | Alastair McKinstry <mckinstry at debian.org>
 libmsnumpress          | libmsnumpress-dev, libmsnumpress1                                                                                              | Filippo Rusconi <lopippo at debian.org>
 liboglappth            | liboglappth-dev, liboglappth2                                                                                                  | Daniel Leidert (dale) <daniel.leidert at wgdd.de>
 libpappsomspp          | libpappsomspp0-qt6, libpappsomspp-dev, libpappsomspp-widget0-qt6, libpappsomspp-widget-dev, libpappsomspp-doc                  | Filippo Rusconi <lopippo at debian.org>
 librdata               | librdata0, librdata-dev                                                                                                        | Filippo Rusconi <lopippo at debian.org>
 libtrexio              | libtrexio-dev, libtrexio0                                                                                                      | Andrius Merkys <merkys at debian.org>
 libwildmagic           | libwildmagic-dev, libwildmagic5, libwildmagic-common, libwildmagic-examples                                                    | Filippo Rusconi <lopippo at debian.org>
 maloc                  | libmaloc1, libmaloc-dev                                                                                                        | Drew Parsons <dparsons at debian.org>
 mdanalysis             | python3-mdanalysis, python-mdanalysis-doc                                                                                      | Drew Parsons <dparsons at debian.org>
 mdtraj                 | python3-mdtraj, python-mdtraj-doc                                                                                              | Drew Parsons <dparsons at debian.org>
 mmtf-java              | libmmtf-java                                                                                                                   | Andrius Merkys <merkys at debian.org>
 molequeue              | molequeue, libmolequeue-dev                                                                                                    | Michael Banck <mbanck at debian.org>
 molmodel               | libsimtkmolmodel-dev, libsimtkmolmodel3.1, libsimtkmolmodel-plugins                                                            | Andrius Merkys <merkys at debian.org>
 msxpertsuite           | msxpertsuite, msxpertsuite-massxpert, msxpertsuite-massxpert-data-doc, msxpertsuite-minexpert, msxpertsuite-minexpert-data-doc | Filippo Rusconi <lopippo at debian.org>
 opendrop               | opendrop, opendrop-doc                                                                                                         | Drew Parsons <dparsons at debian.org>
 packmol                | packmol                                                                                                                        | Drew Parsons <dparsons at debian.org>
 parmed                 | python3-parmed                                                                                                                 | Andrius Merkys <merkys at debian.org>
 pdb-tools              | pdb-tools, python3-pdbtools                                                                                                    | Andrius Merkys <merkys at debian.org>
 phonopy                | libphpy-dev, libphpy1, python3-phonopy                                                                                         | Andrius Merkys <merkys at debian.org>
 prody                  | python3-prody, python3-prody-tests                                                                                             | Andrius Merkys <merkys at debian.org>
 pymatgen               | python3-pymatgen, python-pymatgen-doc                                                                                          | Drew Parsons <dparsons at debian.org>
 python-griddataformats | python3-griddataformats                                                                                                        | Drew Parsons <dparsons at debian.org>
 python-gsd             | python3-gsd, python-gsd-doc                                                                                                    | Drew Parsons <dparsons at debian.org>
 qcelemental            | python3-qcelemental                                                                                                            | Michael Banck <mbanck at debian.org>
 qcengine               | python3-qcengine                                                                                                               | Michael Banck <mbanck at debian.org>
(42 Zeilen)