[Debichem-devel] OpenMM package for Debian/Ubuntu

[Andreas Tille]

Hi,

I've got the information that there is some interest in Debian packaging
of OpenMM[1].  There is actually a git repository[2] created by Yutong
Zhao and Robert McGibbon.  IMHO the next step could be perfectly be to
inject this package straight into Debian.  As readers of the Debian Med
list know that this is one of our strengthes to work together with
upstream and there is even an education program "Mentoring of the
Month"[3] to educate newcomers (even if at first look to[2] the
mentoring part can be skipped to some extend).

As you might know Steffen Möller has injected some other attempt of
packaging into the DebiChem SVN repository[4].  It seems to make sense
to merge both efforts to finally create a package ready for uploading.
To let you know:  The DebiChem and Debian Med team are working together
since we are sharing some packages of interest.  From my naive point
of view it comes closer to the field of DebiChem.

What could be the steps for an upload to Debian.

  1. We need better access to the source of OpenMM.
     When trying to download the source I was requested to add some
     login code.  Whatever your reasons for this are (we had some
     similar cases in the past) I would like to make you aware that
     uploading your package to Debian will undermine this.  Anybody
     will be able to download the source from the Debian mirror and
     considering the license of OpenMM this is perfectly legal.  If
     you installed this registration system you might in reward notice
     that we can provide statistics from Debian Popularity Contest.
     You have easy access to this at the so called Web Sentinel for
     DebiChem for instance see here[5] and look for the term "Popcon".
     The advantage of this statistics is that you get numbers not
     for download but for *real* *usage*
     In short: Please provide a password free download option which
     would simplify the Debian packaging and you get some reward for
     this.

  2. Please simplify the detection of new versions.
     Similar to the first item this is also connected to the ability
     for downloads.  Since you did some Debian packaging I assume you
     are also aware of debian/watch files which are providing an
     automatic way to detect new versions.  With your current web
     framework this is very troublesome.

  3. Once we have got the source I'd suggest we inject the package
     on our Alioth platform and take over team maintenance.  The
     Debian Med policy[6] explains in very detail how this works -
     it can be translated to the work of DebiChem as well (to my
     knowledge there is no such document for DebiChem).
     I would volunteer to do this initial inject to provide you
     with a fully functional Git repository to run git-buildpackage.

  4. Once the package will be ready some team member can upload it
     to the Debian mirror.

What do you think about this plan?

BTW, it might be a bit short notice but the next Debian Med team sprint
will happen in ten days close to Aberdeen[7].  It would be great if
somebody of the OpenMM team would like to join.  This could speed up
things for a first upload.

Kind regards

       Andreas.

[1] https://simtk.org/home/openmm
[2] https://github.com/rmcgibbo/openmm-debpackaging
[3] https://wiki.debian.org/DebianMed/MoM
[4] http://anonscm.debian.org/viewvc/debichem/experimental/openmm/debian/
[5] http://blends.debian.org/debichem/tasks/molmech
[6] http://debian-med.alioth.debian.org/docs/policy.html
[7] https://wiki.debian.org/DebianMed/Meeting/Aberdeen2014

-- 
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