[Debichem-devel] OpenMM package for Debian/Ubuntu

[Yutong Zhao]

Hi Andreas,


We're super excited to get OpenMM as part of the debian repos. To address
your concerns:

1. Source files can be directly obtained from
https://github.com/simtk/openmm. Releases are tagged at
https://github.com/SimTk/openmm/releases. It should be simple to setup a
watch script to monitor new tags/releases via github. We currently
distribute pre-built binaries from simtk.org, but it sounds like you guys
plan to build from source anyways.

2. We're OK with what ever deployment/maintenance options you think is best
(Alioth, etc.). Having Debian download statistics would be really nice.

3. We'd be happy to work with whoever (Steffan, CCed) to get this pushed
through. Thanks for volunteering to do the initial inject.

Some questions on our end:

1. Does getting this into DebianMed/DebiChem mean that users on
ubuntu/debian will be able to simply do apt-get install openmm to fetch the
package (without needing to add additional sources, etc.)?
2. What additional steps do we need to take on our end? Is
https://github.com/rmcgibbo/openmm-debpackaging sufficient?

CCing Peter and Vjiay on this (both are heavily involved in OpenMM)


On Wed, Jan 22, 2014 at 8:26 AM, Andreas Tille <andreas at an3as.eu> wrote:

> 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
>
> --
> http://fam-tille.de
>



-- 
Yutong Zhao
Stanford University

www.proteneer.com | simbios.stanford.edu
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