Aw: Re: Dropping big-endian (s390x) support for some r-bioc-* packages

2024-10-03 Thread Steffen Möller
I like this thought. My only concern would be that we should have a way to at 
least inform upstream about platform-specific failures, so we should at least 
try to build them if the dependencies are available.

Best,
Steffen



> Gesendet: Mittwoch, 2. Oktober 2024 um 13:34
> Von: "Charles Plessy" 
> An: debian-med@lists.debian.org, debia...@lists.debian.org
> Betreff: Re: Dropping big-endian (s390x) support for some r-bioc-* packages
>
> Le Wed, Oct 02, 2024 at 12:53:56PM +0200, Michael R. 
> Crusoe a écrit :
> > 
> > So I propose to add a "architecture-is-little-endian" build-dep to the 
> following packages and request the removal of their s390x builds from the 
> archive:
> > 
> 
> Hi Michael and everybody,
> 
> I am all for it but I would like to propose something bigger.
> 
> Let r-bioc-biocgenerics (or r-bioc-biocbase) provide a virtual package
> called r-bioc-supported-architectures available for amd64 and arm64
> only, and make all r-boc-* depend on it at the next BioC release (which
> takes place this month).
> 
> People who want r-bioc-* packages on other architectures can first work
> on portability issues outside the Debian main archive, and can create 
> a local version of r-bioc-supported-architectures to enable building
> BiocC on what they want.  If the mass-build looks sustainable we can
> consider add, maybe after consulting BioC upstream about future
> prospects.
> 
> I think that bioinformaticians can aim for other architectures if they
> have appetite for the work it represents, and portrers can aim for
> bioinformatics if they have the workforce for it, but by default we
> should not build these packages everywhere because it puts the whole
> burden on mostly just us.
> 
> Have a nice day,
> 
> Charles
> 
> -- 
> Charles Plessy Nagahama, Yomitan, Okinawa, Japan
> Debian Med packaging team http://www.debian.org/devel/debian-med
> Tooting from home  https://framapiaf.org/@charles_plessy
> - You  do not have  my permission  to use  this email  to train  an AI -
> 
> 



GENtle package updated - dropped GFDL licensed documentation

2024-09-22 Thread Steffen Möller
Dear Étienne,

thank you tons for pointing out that the license of the documentation is not as 
Free as it should be. I guess this will be addressed with the next major 
release. For now I have removed docs/manual.adoc and docs/images from the 
source tree as you suggested.

https://salsa.debian.org/med-team/gentle

I am testing this mostly on a Mac and just ran into some platform-specific bug, 
but, anyway this version is better than the currently in the archive and so 
this should be uploaded :)

Many thanks,
Steffen



GENtle new upstream version on salsa - request for sponsoring

2024-09-05 Thread Steffen Möller
Hello,

I just sent GENtle 1.9.5alpha2 to https://salsa.debian.org/med-team/gentle . 
GENtle saw a few binary uploads over the previous year because of the 64 bit 
time_t transition, so I understood, and this new release brings a series of 
improvements and fixes that seem worthwhile to be uploaded.

The packaging should be in a decent shape, at least better than in the previous 
upload, a review and upload would nice.

Many thanks and regards,
Steffen



Aw: Re: Re: Shared cluster storage for bioinformatics

2024-08-08 Thread Steffen Möller
Thank you, Urmas! This sounds great. I am not sure about how much help I can be 
when it comes to maintaining/packaging work that is such close to the kernel, 
but just shout out whenever you need help.
Best,
Steffen

> Gesendet: Montag, 29. Juli 2024 um 11:57 Uhr
> Von: "Urmas Rist" 
> An: "Steffen Möller" , "Tony Travis" 
> 
> Cc: "Aleksandr Ragel" , "Debian Med Project List" 
> , "Andreas Tille" , "Piotr 
> Modrzyk" , "David Gerstein" 
> Betreff: Re: Re: Shared cluster storage for bioinformatics
>
> > Would there be a away to have you SaunaFS folks maintain a Debian package 
> > directly? Debian has this "Maintainer" concept that grants individuals the 
> > right to update packages - you need a sponsor for the initial upload but 
> > then you can help yourselves
> 
> I've been thinking about during the weekend. So our company's position is that
> if the community wants to package for specific distro, that's completely fine
> by us, but we won't provide support for those packages (as that's the
> maintainers job).
> 
> However, I could be willing to volunteer personally to help maintain the 
> Debian
> package if there's nobody else who could do it. I would do it in my personal
> capacity and spare time after work.
> 
> Regards,
> ---
> Urmas Rist
> SaunaFS Maintainer
> 
> 
> From: Steffen Möller 
> Sent: Friday, July 26, 2024 11:51 AM
> To: Tony Travis 
> Cc: Urmas Rist ; Aleksandr Ragel ; Debian Med 
> Project List ; Andreas Tille ; 
> Piotr Modrzyk 
> Subject: Aw: Re: Shared cluster storage for bioinformatics
>  
> Hello,
> 
> Would there be a away to have you SaunaFS folks maintain a Debian package 
> directly? Debian has this "Maintainer" concept that grants individuals the 
> right to update packages - you need a sponsor for the initial upload but then 
> you can help yourselves
> https://wiki.debian.org/DebianMaintainer .
> 
> Debian has a steady influx of new packages https://ircbots.debian.net/stats/ 
> but from what I observe the number of Debian developers is mostly steady 
> https://github.com/jwilk/dd-num-graph, so extra hands are important.
> 
> Best,
> Steffen
> 
> > Gesendet: Mittwoch, 24. Juli 2024 um 14:01 Uhr
> > Von: "Tony Travis" 
> > An: "Urmas Rist" , "Aleksandr Ragel" , "Debian 
> > Med Project List" 
> > Cc: "Andreas Tille" , "Piotr Modrzyk" 
> > Betreff: Re: Shared cluster storage for bioinformatics
> >
> > On 24/07/2024 12:13, Urmas Rist wrote:
> > >> I followed this up and took a look at the "SaunaFS" GitHub" repo:
> > >
> > >>> https://github.com/aNeutrino/open-saunafs
> > >
> > > Quick correction: The official repository is here:
> > >
> > >> https://github.com/leil-io/saunafs
> >
> > Hi, Urmas.
> >
> > Sorry - Thanks for correcting my mistake,
> >
> >    Tony.
> >
> > --
> > Minke Informatics Limited, Registered in Scotland - Company No. SC419028
> > Registered Office: 3 Donview, Bridge of Alford, AB33 8QJ, Scotland (UK)
> > tel. +44(0)19755 63548    http://minke-informatics.co.uk
> > mob. +44(0)7985 078324    mailto:tony.tra...@minke-informatics.co.uk
> >
> >
>



Aw: Re: Shared cluster storage for bioinformatics

2024-07-26 Thread Steffen Möller
Hello,

Would there be a away to have you SaunaFS folks maintain a Debian package 
directly? Debian has this "Maintainer" concept that grants individuals the 
right to update packages - you need a sponsor for the initial upload but then 
you can help yourselves
https://wiki.debian.org/DebianMaintainer .

Debian has a steady influx of new packages https://ircbots.debian.net/stats/ 
but from what I observe the number of Debian developers is mostly steady 
https://github.com/jwilk/dd-num-graph, so extra hands are important.

Best,
Steffen

> Gesendet: Mittwoch, 24. Juli 2024 um 14:01 Uhr
> Von: "Tony Travis" 
> An: "Urmas Rist" , "Aleksandr Ragel" , "Debian 
> Med Project List" 
> Cc: "Andreas Tille" , "Piotr Modrzyk" 
> Betreff: Re: Shared cluster storage for bioinformatics
>
> On 24/07/2024 12:13, Urmas Rist wrote:
> >> I followed this up and took a look at the "SaunaFS" GitHub" repo:
> >
> >>> https://github.com/aNeutrino/open-saunafs
> >
> > Quick correction: The official repository is here:
> >
> >> https://github.com/leil-io/saunafs
>
> Hi, Urmas.
>
> Sorry - Thanks for correcting my mistake,
>
>Tony.
>
> --
> Minke Informatics Limited, Registered in Scotland - Company No. SC419028
> Registered Office: 3 Donview, Bridge of Alford, AB33 8QJ, Scotland (UK)
> tel. +44(0)19755 63548http://minke-informatics.co.uk
> mob. +44(0)7985 078324mailto:tony.tra...@minke-informatics.co.uk
>
>



Aw: Re: PyMol 3.0 is out - salsa upload works for me

2024-07-25 Thread Steffen Möller
Hi Étienne,

> Nilesh Patra, on 2024-07-18:
> > On Thu, Jul 18, 2024 at 05:29:55PM +0530, Nilesh Patra wrote:
> > > On Thu, Jul 18, 2024 at 01:21:15PM +0200, Steffen Möller wrote:
> > > > I addressed the lintian errors/warnings and introduced d/u/edam besides
> > > > updating d/u/metadata.
> 
> I proceeded to the sponsored upload minutes ago.
> Thank you for the version bump to the newer major version!

Thank you for your review and upload. I still have to check if it has truly 
arrived :-) but PyMol 3 meant to have adopted the generation of structural 
representations of DNA sequences, a shift over from their commercial branch
https://github.com/schrodinger/pymol-open-source/issues/351
 
> > > > Did not find anything to contribute to the problem of the 
> > > > reproducibility test but did not want to just disable it either. IMHO 
> > > > we should just raise an issue with upstream and let them fix that :) 
> > > > Sadly, reprotest is not indicating the exact files that are 
> > > > contributing to the difference, I only know it is in the python3-pymol 
> > > > package. Hm.
> > > 
> > > Maybe this helps you:
> > > 
> > > $ debdiff 
> > > control/source-root/pymol-data_3.0.0+dfsg-1+salsaci+20240718+11_all.deb 
> > > experiment-1/source-root/pymol_3.0.0+dfsg-1+salsaci+20240718+11_all.deb
> > 
> > Minutes after sending this I realised I compared the wrong files in a hurry.
> > Oops :/
> > 
> > I tried to diff again and everything is identical. Only diff is in dbgsym.
> > Seems like some embedded buildpath issue.

Good idea.

Best,

Steffen



Aw: Re: PyMol 3.0 is out - salsa upload works for me

2024-07-20 Thread Steffen Möller



> Gesendet: Donnerstag, 18. Juli 2024 um 14:16 Uhr
> Von: "Nilesh Patra" 
> An: "Nilesh Patra" 
> Cc: "Steffen Möller" , debian-med@lists.debian.org, 
> mba...@debian.org
> Betreff: Re: PyMol 3.0 is out - salsa upload works for me
>
> On Thu, Jul 18, 2024 at 05:29:55PM +0530, Nilesh Patra wrote:
> > On Thu, Jul 18, 2024 at 01:21:15PM +0200, Steffen Möller wrote:
> > > Thank you, Étienne, well done!
> > > 
> > > I addressed the lintian errors/warnings and introduced d/u/edam besides
> > > updating d/u/metadata.
> > > 
> > > Did not find anything to contribute to the problem of the reproducibility 
> > > test but did not want to just disable it either. IMHO we should just 
> > > raise an issue with upstream and let them fix that :) Sadly, reprotest is 
> > > not indicating the exact files that are contributing to the difference, I 
> > > only know it is in the python3-pymol package. Hm.
> > 
> > Maybe this helps you:
> > 
> > $ debdiff 
> > control/source-root/pymol-data_3.0.0+dfsg-1+salsaci+20240718+11_all.deb 
> > experiment-1/source-root/pymol_3.0.0+dfsg-1+salsaci+20240718+11_all.deb
> 
> Minutes after sending this I realised I compared the wrong files in a hurry.
> Oops :/
> 
> I tried to diff again and everything is identical. Only diff is in dbgsym.
> Seems like some embedded buildpath issue.
> 
> However, I suppose you could upload pymol w/o worrying about reprotest too 
> much.
> 
> $ debdiff control/source-root/pymol_3.0.0+dfsg-1+salsaci+20240718+11_all.deb 
> experiment-1/source-root/pymol_3.0.0+dfsg-1+salsaci+20240718+11_all.deb
> File lists identical (after any substitutions)
> 
> No differences were encountered between the control files
> 
> $ debdiff 
> control/source-root/python3-pymol-dbgsym_3.0.0+dfsg-1+salsaci+20240718+11_amd64.deb
>  
> experiment-1/source-root/python3-pymol-dbgsym_3.0.0+dfsg-1+salsaci+20240718+11_amd64.deb
>  
> [The following lists of changes regard files as different if they have
> different names, permissions or owners.]
> 
> Files in second .deb but not in first
> -
> -rw-r--r--  root/root   
> /usr/lib/debug/.build-id/4b/5e2a027f16472d3b95853614c4eaa660ed8b57.debug
> 
> Files in first .deb but not in second
> -
> -rw-r--r--  root/root   
> /usr/lib/debug/.build-id/8f/96a303f475db3232c7e1917efe4367cc6de3b7.debug
> 
> Control files: lines which differ (wdiff format)
> 
> Build-Ids: 3ffe872e7f5ee161663ee5c288b17c3967f5b75b 
> [-8f96a303f475db3232c7e1917efe4367cc6de3b7-] 
> {+4b5e2a027f16472d3b95853614c4eaa660ed8b57+}

I feel a bit bad for not having addressed that myself. Thank you, Nilesh.
Am not ultimately sure though what the consequence should be. To me it reads a 
bit like a false positive that may warrant a change to reprotest.

Best,
Steffen



Aw: Re: PyMol 3.0 is out - salsa upload works for me

2024-07-18 Thread Steffen Möller
Thank you, Étienne, well done!

I addressed the lintian errors/warnings and introduced d/u/edam besides
updating d/u/metadata.

Did not find anything to contribute to the problem of the reproducibility test 
but did not want to just disable it either. IMHO we should just raise an issue 
with upstream and let them fix that :) Sadly, reprotest is not indicating the 
exact files that are contributing to the difference, I only know it is in the 
python3-pymol package. Hm.

Best,
Steffen

> Gesendet: Mittwoch, 17. Juli 2024 um 22:47 Uhr
> Von: "Étienne Mollier" 
> An: "Steffen Möller" 
> Cc: mba...@debian.org, "Med Team" 
> Betreff: Re: PyMol 3.0 is out - salsa upload works for me
>
> Hi Steffen,
> 
> Steffen Möller, on 2024-07-17:
> > I just updated
> > https://salsa.debian.org/debichem-team/pymol
> > to version 3.0. This works for me but another review would be nice.
> 
> Continuous integration[1] went mostly through, which is good
> omen.  Note there are a couple of lintian errors[2] which you
> may want to investigate, to ensure no source files are missing
> (I often end up having to override lintian warnings tripping on
> long lines in html files which turned out to be typewritten, but
> this may not be always the case).  I would suggest these errors
> to be resolved or overriden as deemed adequate before upload.
> 
> I would have suggested to check the status of autopkgtest of
> cctbx when running it against the new version of python3-pymol,
> but it is affected by the removal of distutils in Python 3.12
> (and this is already reported as #1076084).
> 
> If you have the spare cycles, you may also have a look at the
> build reproducibility failure, but the test item has a long
> history of failing, so this may be difficult to fix and not
> strictly needed (in which case it might be worth to flag the
> Salsa CI reprotest so it ceases causing a failure of the CI
> pipeline).
> 
> [1]: https://salsa.debian.org/debichem-team/pymol/-/pipelines/702792
> [2]: https://salsa.debian.org/debichem-team/pymol/-/jobs/5985845
> 
> > My Debian key expired earlier this year, so a sponsoring would be much 
> > appreciated, too.
> 
> Regarding sponsoring, I may have a look back tomorrow evening.
> In the meantime there is room if you want to investigate my
> suggestions.  And if you ping early the mailing list once you're
> happy with the changes, someone faster than I am may even be
> able to upload for you.  ;)
> 
> I'm probably a bit far to do it myself, and upcoming olympic
> games make it particularly complicated to travel in the upcoming
> weeks, but if you need people to sign your new key, you can have
> a look at key signing offers[3] in your neighborhood.
> 
> [3]: https://wiki.debian.org/Keysigning/Offers
> 
> Have a nice day,  :)
> -- 
>   .''`.  Étienne Mollier 
>  : :' :  pgp: 8f91 b227 c7d6 f2b1 948c  8236 793c f67e 8f0d 11da
>  `. `'   sent from /dev/pts/2, please excuse my verbosity
>`-on air: D'virgilio, Morse & Jennings - Right Where You…
>



PyMol 3.0 is out - salsa upload works for me

2024-07-17 Thread Steffen Möller
Hello,

I just updated
https://salsa.debian.org/debichem-team/pymol
to version 3.0. This works for me but another review would be nice.

My Debian key expired earlier this year, so a sponsoring would be much 
appreciated, too.

Many thanks!
Steffen



Aw: Re: Do we need the Python interface of ghmm

2024-02-07 Thread Steffen Möller
Hi Andreas,
it will be best to remove it, I suggest. I do not have any personal contact to 
upstream, somehwat unfortunate since this looks very nice and educational, but 
... unless someone enjoys such a transition, I suggest to just wait for a 
version 0.10.
Best,
Steffen

> Gesendet: Mittwoch, 07. Februar 2024 um 14:02 Uhr
> Von: "Andreas Tille" 
> An: "Debian Med Project List" 
> Cc: "Steffen Möller" 
> Betreff: Re: Do we need the Python interface of ghmm
>
> Hi again,
> 
> if there is no response of kind "Yes, please try to keep the Python
> interface of ghmm" it will be removed soon.
> 
> Kind regards
>Andreas.
> 
> Am Tue, Jan 30, 2024 at 07:58:34AM +0100 schrieb Andreas Tille:
> > Hi Steffen (and two whom it might concern),
> > 
> > when Israel has written the autopkgtest for ghmm it turned
> > out that there are several issues with the Python3 interface.
> > In Matrix Nilesh raised the perfectly valid question:
> > 
> >The py interface is living off a patch from py2to3 and is (very)
> >broken. It needs quite a lot of patching. Maybe it's a sensible thing to
> >evaluate if we even need it?
> > 
> > Could you please state your opinion about this?
> > 
> > We should respond in a timely manner to the atlas removal
> > effort (patch in Git) and currently it is blocked by the
> > test suite issue of the Python3 interface.
> > 
> > Kind regards
> >Andreas.
> > 
> > -- 
> > http://fam-tille.de
> > 
> > 
> 
> -- 
> http://fam-tille.de
>



Aw: Re: Last call for any other location than Berlin (Was: Any suggestions for next Debian Med sprint (in person meeting)?)

2023-12-27 Thread Steffen Möller



> Gesendet: Freitag, 22. Dezember 2023 um 22:37 Uhr
> Von: "Pierre Gruet" 
> An: debian-med@lists.debian.org
> Betreff: Re: Last call for any other location than Berlin (Was: Any 
> suggestions for next Debian Med sprint (in person meeting)?)
>
> Hi all,
> 
> Le 21/12/2023 à 16:15, Sascha Steinbiss a écrit :
> > Hi,
> > 
> > [...]
> >>> How about Feb 10-11, for example? My weekends are still free for now 
> >>> so it's
> >>> your choice.
> >>
> >> I admit I'd prefer Feb. 17-18 over 10-11.  Other opinions?
> 
> I will be available on both weekends, although I prefer 10-11 over 17-18 
> for teaching and meeting reasons.
> 
> But as I just wrote, 17-18 also works.

I'd opt for the earlier date, so we have a bit of a break before some of us I 
expect to bump into each other again in Hamburg if Holger's event materialises 
a month later.

Best,
Steffen



Aw: Re: Any suggestions for next Debian Med sprint (in person meeting)?

2023-11-16 Thread Steffen Möller


> [...]
> >> No better idea from my part. The location in Berlin was actually
> >> fine and I cannot propose a better (also closer to me) place. Last
> >> time we discussed this, you evoked a place in Hamburg. Which
> >> would not change a lot of things for me compared to Berlin.
> >
> > I remember someone suggested Hamburg but it was not me.  If the
> > person who suggested this would speak up it would be nice.
> > Otherwise I would ask Sascha to make suggestions when the known venue
> > is open for our sprint.
>
> I wouldn't mind going somewhere else for a change... but i can surely
> ask if we can have another weekend in February.

Hamburg would also be fine with me. Important for the med team is increasingly 
also what the ML team gets up to and the GPU acceleration fronts. Should we 
somehow reach out?

Best,
Steffen



Aw: GENtle - some progress

2023-07-31 Thread Steffen Möller
Quick update - upstream was very happy to see a first bunch of patches and 
created
https://github.com/GENtle-persons/gentle-m
with membership to GENtle-persons initially offered to Andreas and myself (I 
already accepted).

So, I think my next steps are to transfer d/patches/* to an upstream dev branch 
and then sync with upstream about a new point release.

Best,
Steffen

> Gesendet: Montag, 31. Juli 2023 um 12:39 Uhr
> Von: "Steffen Möller" 
> An: "Med Team" 
> Betreff: GENtle - some progress
>
> Hello,
> 
> I just uploaded another iteration of GENtle to our servers. It has some 
> quirks, still, as in that wxWidgets' runtime checks kick in with the one or 
> other window that is opened, something about the windows parents not set 
> right, but I guess this is usable. I'll finish this up over the next weeks.
> 
> Some background, GENtle comes from a time when the cloning of DNA (as in: get 
> some large string of unknown DNA of interest connected in a much larger piece 
> of well-known DNA that can be multiplied by bacteria) was a precondition to 
> get that DNA sequenced. With technological advancements that has mostly been 
> substituted with "let us just sequence the whole organism". And there is 
> software like https://www.snapgene.com/ doing many things right that come to 
> a rescue for smaller groups and/or smaller projects, and for all the many 
> tasks like amplifying the gene product of what was cloned (as in producing 
> insulin, see https://openinsulin.org/).
> 
> IMHO times have changed again in that we already have sequenced of what we 
> want to see sequenced and now the research community shifted from "get DNA 
> out from human cells" to "get DNA into (typically cultures of) human cells". 
> To move any gene across the cell wall, you need a special kind of vehicle, 
> and technically those look just like those plasmids that GENtle already knows 
> how to design. So this is not just some old outdated technology lurking with 
> us, we should just think about how we can modernize the GUI a bit and maybe 
> add some public data.
> 
> I'll discuss data to be added with my wet-lab colleagues, also some 
> imperfections in software may be ideal as student projects to 
> describe/fix/learn, will see.
> 
> Best,
> Steffen
> 
>



GENtle - some progress

2023-07-31 Thread Steffen Möller
Hello,

I just uploaded another iteration of GENtle to our servers. It has some quirks, 
still, as in that wxWidgets' runtime checks kick in with the one or other 
window that is opened, something about the windows parents not set right, but I 
guess this is usable. I'll finish this up over the next weeks.

Some background, GENtle comes from a time when the cloning of DNA (as in: get 
some large string of unknown DNA of interest connected in a much larger piece 
of well-known DNA that can be multiplied by bacteria) was a precondition to get 
that DNA sequenced. With technological advancements that has mostly been 
substituted with "let us just sequence the whole organism". And there is 
software like https://www.snapgene.com/ doing many things right that come to a 
rescue for smaller groups and/or smaller projects, and for all the many tasks 
like amplifying the gene product of what was cloned (as in producing insulin, 
see https://openinsulin.org/).

IMHO times have changed again in that we already have sequenced of what we want 
to see sequenced and now the research community shifted from "get DNA out from 
human cells" to "get DNA into (typically cultures of) human cells". To move any 
gene across the cell wall, you need a special kind of vehicle, and technically 
those look just like those plasmids that GENtle already knows how to design. So 
this is not just some old outdated technology lurking with us, we should just 
think about how we can modernize the GUI a bit and maybe add some public data.

I'll discuss data to be added with my wet-lab colleagues, also some 
imperfections in software may be ideal as student projects to 
describe/fix/learn, will see.

Best,
Steffen



Aw: Re: Please review release notes patch

2023-05-25 Thread Steffen Möller
Heya,

> Gesendet: Donnerstag, 25. Mai 2023 um 09:51 Uhr
> Von: "Andreas Tille" 
> An: debian-med@lists.debian.org
> Cc: "Steffen Möller" 
> Betreff: Re: Please review release notes patch
>
> Hi Nilesh,
> 
> Am Wed, May 24, 2023 at 10:16:22PM +0530 schrieb Nilesh Patra:
> > On Wed, May 24, 2023 at 11:28:13AM +0200, Pierre Gruet wrote:
> > > Le 24/05/2023 à 08:25, Andreas Tille a écrit :
> > > >
> > > > https://salsa.debian.org/med-team/community/communication/-/blob/master/releasenotes/bookworm/release-notes.patch
> > > > 
> > > > Please review and comment on it (or just push fixes and enhancements)!
> > > Is there any important piece of software we packaged during this release
> > > cycle and that could be worth highlighting? From my limited perspective I
> > > have none that comes to mind, but maybe it will for someone else.
> > 
> > I do remember that during the bullseye release, we were looking forward
> > to get nextflow into bookworm. AFAICS, that did not happen but I do see
> > a capsule-nextflow package.
> > Although it is mostly a deployment tool, _maybe_ it is worth a mention?
> > 
> > I've CC'ed Steffen for any inputs about the same.
> 
> Steffen?

Nextflow has not made it. Pierre summarized the state not to long ago.
The problem was the change to the build tool that Debian does not support its 
latest version. 

> IMHO I consider it less worth mentioning than shiny-server.

shiny-server is a piece of infrastructure to run services, obviously.
It is important, although many would say that it is not a core piece of 
bioinformatics.
I propose to adjust the release notes accordingly, also adopting a bit of what 
Pierre described wrt dependencies. Here my shot:


For the past 20 years, Debian has been a trusted distributor of software for 
the Life Sciences and Medicine, offering all the benefits that come with Debian 
as a distribution. This commitment has supported education, research, and 
service providers who rely on web-based software solutions. Particularly in the 
life sciences field, where data often exceeds transport capacity, Debian's 
contributions are of immense value. With the release of Debian Bookworm, we are 
excited to introduce the shiny-server package, which enables the creation of 
scientific web applications using the statistical environment R.


Much of our work goes unnoticed by users who simply see their familiar packages 
updated. However, behind the scenes, we continuously strive to improve the 
reliability and quality of our software. Through enhanced Continuous 
Integration support, the packages maintained by the Debian Med team undergo 
official auto-tests and additional tests developed by our team. By keeping 
software dependencies up to date, multiple packages can work seamlessly 
together, benefiting from the collective identification of issues and ensuring 
a smooth user experience. Any patches we create are shared back with the 
original developers, allowing Debian Med to remain closely aligned with the 
original sciences.


Bookworm ships with >1000 packages that are maintained by the Debian Med group 
that are kept compatible with the very latest versions of the software itself, 
but most work is invested into maintaining that often aging but established 
software to remain compatible with the latest versions of the shared libraries 
that often experiences incompatible changes to their API. This effort has 
become increasingly difficult over the past years as softwares have grown in 
complexity with many more dependencies, and also seeing many overlaps with 
other disciplines, such that the contributors to Debian Med also find 
themselves contributing to the Science and Electronic teams, or just help with 
basic Java or Python libraries that have not yet been packaged. But waiting for 
Debian to provide packages for all the latest softwares available today would 
slow your Science down. To the rescue may come the updated package of 
Singularity, i.e. a non-privileged means to install externally prepared 
software images, and we already know many such images to have Debian as their 
basis.


The Debian Med team values feedback from users, especially regarding requests 
for packaging previously unpackaged free software or backports to earlier 
releases that are important to you.


To install the packages maintained by the Debian Med team, simply install the 
metapackages named med-*, which are currently at version 3.8.x for Debian 
Bookworm. You can explore the full range of biological and medical software 
available in Debian by visiting the https://blends.debian.org/med/tasks";>Debian Med tasks pages.


Please extend/shorten/mod as you see fit.

Best,
Steffen



Aw: Re: Nextflow - have just used it on our HPC cluster and liked it

2023-05-08 Thread Steffen Möller



> Gesendet: Montag, 08. Mai 2023 um 08:45 Uhr
> Von: "Charles Plessy" 
> An: debian-med@lists.debian.org
> Betreff: Re: Nextflow - have just used it on our HPC cluster and liked it
>
> Hi Steffen and everybody,
> 
> I also use Nextflow at work, and indeed, it makes it very easy to run a
> pipeline many times.  Also, Nextflow is a single Java executable, which
> makes it easy to deploy anywhere Java is already installed.
> 
> You probably also saw the nf-core repository of modules and pipelines.
> I like the way they are organised and find them empowering.  The
> community is very nice too.
> 
> BUT
> 
> With my Debian background it is very hard for me to adapt to the conda /
> biocona / quay / galaxy ecosystem.  I just can not figure out who is
> responsible for what, no idea how long the whole thing will be
> supported, where is the source code used to build the the packages into
> Docker images in to Singularity images, etc.  Not to mention that the
> whole paradigm behind "one tool, one minimal image" deprives me from all
> the Unix tools that I use to enjoy on in a Debian context.  In bioconda
> you have no idea whether sed is from GNU of from busybox unless you try
> it or dig for a package recipe in GitHub...

I am struggling with conda environments, I must admit. This should be mostly 
analogous to chroot environments, I keep thinking, but still ... 

> 
> NOT TO MENTION THAT
> 
> Everybody expects that these images will stay forever and for free at
> the URL where they are, while I have not seen any evidence of an
> organisation promising that it will really happen for at least a
> decade...  Without these images and the receipes to create them
> (remember the singularity <- docker <- conda <- GitHub fragmentation),
> the hope that these pipelines provide reproducibility in the long term
> is wishful thiking.

I admit to care more about the data than the exact tools. Just rerun it with 
whatever was proven to be superior.
The longevity of https://biocontainers.pro/ will basically determine about what 
we shall expect and conversely our demands will shape what will be offered.

> SO
> 
> Against the stream of minimising image size to the bone while processing
> terabytes of sequencing data, I thing that Debian Med images with all of
> our packages installed would be a useful alternative in many cases.

Yes - for the direct execution but also within images.

> I am already doing something along the lines on our HPC cluster to turn
> our packages into environment modules (lmod).
> 
> https://github.com/oist/BioinfoUgrp/blob/master/DebianMedModules.md#creation-of-a-new-singularity-image
> 
> The size of the images is a bit less than 8 GiB, and I make a new image
> at each point release.  Would there be some interest to make such images
> in a more official way ?

We could have our own Singularity Hub (https://singularityhub.github.io/).

@Olivier, Hervé, Matúš et al. - I would happily hear from you that we just do 
not need anything like that.

Best,
Steffen




Nextflow - have just used it on our HPC cluster and liked it

2023-05-05 Thread Steffen Möller
Hello,

I must admit that I am rather impressed - a series of images were 
auto-downloaded to function together with singularity and this then worked on a 
test data collection of the workflow. So, with singularity (or docker) in 
Debian, and nextflow, we would have an immediate sync with what upstream offers.

I had a look at the table in Google docs and found that the one dependency that 
was once missing to get nextflow through its autotests, i.e. capsule-nextflow 
is in the archive now. So I thought to give the main package of nextflow 
another look. I am impressed by all work that Pierre already invested into the 
packaging. @Pierre, where does that work stand? I only saw that kryo5 is listed 
as a dependency that is not in the archive.

Best,
Steffen

A "debian/rules binary" got this far:

Starting process 'Gradle Worker Daemon 1'. Working directory: 
/Salsa/Med/nextflow/.gradle/workers Command: 
/usr/lib/jvm/java-17-openjdk-amd64/bin/java 
@/tmp/gradle-worker-classpath9650940302470954557txt -Dfile.encoding=UTF-8 
-Duser.country -Duser.language=en -Duser.variant 
worker.org.gradle.process.internal.worker.GradleWorkerMain 'Gradle Worker 
Daemon 1'
Successfully started process 'Gradle Worker Daemon 1'
Started Gradle worker daemon (3.129 secs) with fork options 
DaemonForkOptions{executable=/usr/lib/jvm/java-17-openjdk-amd64/bin/java, 
minHeapSize=null, maxHeapSize=null, jvmArgs=[], 
classpath=[/usr/share/maven-repo/org/codehaus/groovy/groovy-ant/debian/groovy-ant-debian.jar,
 
/usr/share/maven-repo/org/codehaus/groovy/groovy-groovydoc/debian/groovy-groovydoc-debian.jar,
 
/usr/share/maven-repo/org/codehaus/groovy/groovy-templates/debian/groovy-templates-debian.jar,
 
/usr/share/maven-repo/org/codehaus/groovy/groovy-xml/debian/groovy-xml-debian.jar,
 /usr/share/maven-repo/org/codehaus/groovy/groovy/debian/groovy-debian.jar, 
/usr/share/maven-repo/org/apache/ant/ant-junit/debian/ant-junit-debian.jar, 
/usr/share/maven-repo/org/apache/ant/ant/debian/ant-debian.jar, 
/usr/share/maven-repo/org/apache/ant/ant-launcher/debian/ant-launcher-debian.jar,
 /usr/share/maven-repo/org/apache/ant/ant-antlr/debian/ant-antlr-debian.jar, 
/usr/share/java/ant-1.10.13.jar, /usr/share/java/ant-launcher-1.10.13.jar], 
keepAliveMode=SESSION}.
This JVM does not support getting OS memory, so no OS memory status updates 
will be broadcast
Initialized native services in: .../Salsa/Med/nextflow/.gradle/native

Compiling with JDK Java compiler API.
warning: [options] bootstrap class path not set in conjunction with -source 8
Note: org.pf4j.processor.ExtensionAnnotationProcessor init
Note: Options {}
Note: Processing @org.pf4j.Extension
warning: Implicitly compiled files were not subject to annotation processing.
  Use -proc:none to disable annotation processing or -implicit to specify a 
policy for implicit compilation.
2 warnings
startup failed:
.../Salsa/Med/nextflow/modules/nf-commons/src/main/nextflow/plugin/CustomPluginManager.groovy:
 68: [Static type checking] - Cannot find matching method 
org.pf4j.SingletonExtensionFactory#(). Please check if the declared type 
is correct and if the method exists.
 @ line 68, column 16.
   return new SingletonExtensionFactory()



Bioconductor 400MB packages in Debian?

2023-02-17 Thread Steffen Möller
Hello,

Some expression data crossed my way and while

conda install -c bioconda bioconductor-clariomdhumantranscriptcluster.db

is no big deal (unless when it is), we do not support it in Debian - it is big. 
Well, at least there was a time when this was considered big, I am not so sure 
any more, so here I ask.

https://bioconductor.org/packages/release/data/annotation/html/pd.clariom.d.human.html

comes in a ~400MB tarball, which is mostly a SQLite database.

I would support a decision according to which anybody interested would just go 
and run the installer, but the dependencies are non-trivial, so you effectively 
end up in installing all of BioConductor in parallel to what Debian already 
offers, which I am not a fan of.

What do you think?

Best,
Steffen



Aw: Re: Possibility of In-person sprints in 2023?

2022-10-30 Thread Steffen Möller



> Gesendet: Samstag, 29. Oktober 2022 um 20:55 Uhr
> Von: "Andreas Tille" 
> An: debian-med@lists.debian.org
> Betreff: Re: Possibility of In-person sprints in 2023?
>
> Hi,
>
> Am Sun, Oct 30, 2022 at 12:58:04AM +0530 schrieb Nilesh Patra:
> > I suppose sprints in 2021 and 2022 have been virtual so far due to COVID.
> > There were some COVID related sprints in 2020 as well.
> >
> > Is there a possibilty to have an in-person debian-med sprint in 2023?
> > Would someone be interested in it, or so?
>
> I'm much in favour of an in-person meeting in the beginning of 2023.
> Since it would be great to invite Nilesh it makes sense to meet
> somewhere close to an international airport.  Sascha, would it be
> possible again in the rooms of your employer in Berlin?  Any other
> suggestions?

I agree, it would be good to meet. Should we not meet up in your home town, 
Andreas? (Or Nilesh?)
I could collect Nilesh from the Frankfurt Airport to guide him to your 
mountainous hideout.

Alternatively I would contact a few institutes in Germany that perform Covid 19 
research on live viruses and ask them if they would host us - Hamburg, Berlin 
or some of this historically cool places like https://www.fli.de/ (built on an 
island with a purpose).

Best,
Steffen



Re: We should do an update of all qiime2 modules as soon as possible (Was: Bug#1014100: qiime: autopkgtest needs update for new version of python-decorator)

2022-06-30 Thread Steffen Möller



On 30.06.22 11:51, Andreas Tille wrote:

I'd like to point out to this serious bug.  Steffen, would you mind
koordinating (not doing alone) an upgrade of the qiime infrastructure to
make sure everything will go smoothly?

I added "to be updated" tags to all the qiime2 packages on

https://docs.google.com/spreadsheets/d/1tApLhVqxRZ2VOuMH_aPUgFENQJfbLlB_PFH_Ah_q7hM/edit#gid=1986383821

Yes, these updates are overdue. I'll see what I can do, help is of
course much appreciated.

Many thanks!

Steffen




Re: Accepted ebook-tools 0.2.2-5 (source) into unstable

2022-05-29 Thread Steffen Möller



On 29.05.22 19:06, Aaron M. Ucko wrote:

Debian FTP Masters  writes:


* Make epub-utils conflict with ncbi-entrez-direct, as both ship the einfo
  executable & manpage.

I appreciate the thought, but ncbi-entrez-direct goes out of its way to
avoid any such conflict: it diverts epub-utils' instances of those
files, substituting a wrapper script that takes advantage of major
command-line syntax differences to determine which tool the user
presumably meant to run (and a manpage that notes the diversion).
AFAICT, this arrangement works fine; have you found otherwise?

FTR, there's a similar situation around efetch, where both executables
come from biology-related packages where a conflict would be more of a
problem: acedb-other and ncbi-entrez-direct (with the latter taking care
of deconflicting in the same fashion).


acedb-other shall step behind anything that is offered from the NCBI
realm, I suggest.

Many thanks!
Steffen



Freexian-funding for what keeps nagging us?

2022-04-06 Thread Steffen Möller

Hello,

I just learned about

https://freexian-team.pages.debian.net/project-funding/

and to mind came our difficulties with scala (the Java functional
programming flavor). This may be of sufficient interest for Debian at
large to get bootstrapped, I think.

Other ideas?

Best,
Steffen



Re: pigx-rnaseq now depends on megadepth

2022-03-31 Thread Steffen Möller

Hello,

I just also prepared

https://salsa.debian.org/med-team/megadepth

Comments and/or upload would be lovely.

Many thanks and regards,
Steffen

On 31.03.22 15:35, Steffen Möller wrote:

I was not aware of megadepth - but that is why to pick some experts'
workflow system in the first place as a reference.

https://salsa.debian.org/r-pkg-team/r-bioc-megadepth

needs

https://salsa.debian.org/r-pkg-team/r-cran-cmdfun

and I am still working on the megadepth binary that is wrapped. So, for
the moment this needs to be installed independently. I suggest to
nonetheless upload the package already.

I would love to see the package(s) reviewed.

Many thanks

Steffen





pigx-rnaseq now depends on megadepth

2022-03-31 Thread Steffen Möller

I was not aware of megadepth - but that is why to pick some experts'
workflow system in the first place as a reference.

https://salsa.debian.org/r-pkg-team/r-bioc-megadepth

needs

https://salsa.debian.org/r-pkg-team/r-cran-cmdfun

and I am still working on the megadepth binary that is wrapped. So, for
the moment this needs to be installed independently. I suggest to
nonetheless upload the package already.

I would love to see the package(s) reviewed.

Many thanks

Steffen



Re: Upgrading biojava-live from 1.7 to 1.9

2022-03-28 Thread Steffen Möller



On 28.03.22 17:15, Andreas Tille wrote:

Am Mon, Mar 28, 2022 at 04:42:15PM +0200 schrieb olivier sallou:

...
that's fine for me

Thanks a lot for this effort


Many thanks - brings some memories back!

Steffen



RFreview&upload: Another R time series tool - Mfuzz

2022-03-25 Thread Steffen Möller

Hello,

https://www.bioconductor.org/packages/release/bioc/vignettes/Mfuzz/inst/doc/Mfuzz.pdf

is what I am after and this needs

r-bioc-widgettools
https://salsa.debian.org/r-pkg-team/r-bioc-widgettools

r-bioc-dyndoc
https://salsa.debian.org/r-pkg-team/r-bioc-dyndoc

r-bioc-tkwidgets
https://salsa.debian.org/r-pkg-team/r-bioc-tkwidgets

and r-bioc-mfuzz itself
https://salsa.debian.org/r-pkg-team/r-bioc-mfuzz

Reviews and uploads would be appreciated.

Many thanks and regards,
Steffen





q2-composition - removed vega* from source tree

2022-03-24 Thread Steffen Möller

Hello,

I am tempted to upload the package as it is. It is apparently version 4
of Vega that is expected, not version 5 that just entered the archive
(many, many thanks!!) and they are apparently using
https://github.com/vega/vega-embed which we yet do not have. However, 
those embedded vega files will affect the presentation of the results
but not the results themselves and as such this package is already
useful. I propose to craft a bug report early about the package to
prevent its migration to testing and talk to upstream about.

https://salsa.debian.org/med-team/q2-composition

What do you think?

Best,
Steffen



Request for peer review (and upload) of r-bioc-tmixclust and two dependencies

2022-03-24 Thread Steffen Möller

Hello,

This is all about analysing time-series of gene expression data. I just
packed

https://www.bioconductor.org/packages/devel/bioc/vignettes/TMixClust/inst/doc/TMixClust.pdf


(on https://salsa.debian.org/r-pkg-team/r-bioc-tmixclust)

and its dependencies that Debian did not yet offer
(https://salsa.debian.org/r-pkg-team/r-bioc-spem and
https://salsa.debian.org/r-pkg-team/r-cran-flexclust).

Please kindly have a look that I have not missed anything dramatic. An
upload would be appreciated, alternatively a quick note that everything
is ready to go.

Many thanks

Steffen



Re: q2-emperor - flagged as "RFS"ed

2022-02-17 Thread Steffen Möller



On 17.02.22 22:01, Nilesh Patra wrote:

On 2022-02-18 01:34, Steffen Möller wrote:

Hello,

q2-emperor is flagged as "RFS" in
https://docs.google.com/spreadsheets/d/1tApLhVqxRZ2VOuMH_aPUgFENQJfbLlB_PFH_Ah_q7hM/edit#gid=1986383821
and late January, its dependency EMPEROR made it into the distribution.
I have not seen any rejection email in my inbox (and it should be
flagged as "new" then). May I ask for a peer review and upload?

Uploaded after some scrutiny. Thanks!

Great! Thank you!
Steffen



q2-emperor - flagged as "RFS"ed

2022-02-17 Thread Steffen Möller

Hello,

q2-emperor is flagged as "RFS" in
https://docs.google.com/spreadsheets/d/1tApLhVqxRZ2VOuMH_aPUgFENQJfbLlB_PFH_Ah_q7hM/edit#gid=1986383821
and late January, its dependency EMPEROR made it into the distribution.
I have not seen any rejection email in my inbox (and it should be
flagged as "new" then). May I ask for a peer review and upload?

Best,
Steffen



does anyone know of its whereabouts? Fwd: r-bioc-progeny_1.14.0+ds-1_amd64.changes REJECTED

2022-02-07 Thread Steffen Möller

Hello,

I just checked

but could not find any info on r-bioc-progeny. Andreas has fixed the
missing license info for

https://afeld.github.io/bootstrap-toc/

(which looks good btw) . @Andreas do you happen to recall if you have
uploaded this again? Or was this rejected with a request to provide a
package for bootstrap-toc? The package would also work without it, so I
may presume, and I would then vote for a simplification.

Many thanks and regards
Steffen



 Forwarded Message 
Subject:r-bioc-progeny_1.14.0+ds-1_amd64.changes REJECTED
Date:   Tue, 23 Nov 2021 19:00:08 +
From:   Thorsten Alteholz 
To: Debian R Packages Maintainers ,
Steffen Moeller 




Hi Steffen,

please mention the license of bootstrap in your debian/copyright.

Thanks!
Thorsten



===

Please feel free to respond to this email if you don't understand why
your files were rejected, or if you upload new files which address our
concerns.


Re: sambamba and freebayes new releases

2022-01-21 Thread Steffen Möller

Also many thanks to you both and greetings from my side!

Best,
Steffen

On 21.01.22 12:17, Andreas Tille wrote:

Am Fri, Jan 21, 2022 at 11:45:48AM +0100 schrieb Pjotr Prins:

We release sambamba and freebayes with updated meson build systems. It
should work for Debian. If not I am happy to troubleshoot.

$ apt policy sambamba
sambamba:
   Installed: (none)
   Candidate: 0.8.2+dfsg-1
   Version table:
  0.8.2+dfsg-1 501
 501 http://deb.debian.org/debian testing/main amd64 Packages
  50 http://deb.debian.org/debian unstable/main amd64 Packages

$ $ dput freebayes_1.3.6-1_source.changes
Uploading freebayes using ftp to ftp-master (host: ftp.upload.debian.org; 
directory: /pub/UploadQueue/)
running allowed-distribution: check whether a local profile permits uploads to 
the target distribution
running protected-distribution: warn before uploading to distributions where a 
special policy applies
running checksum: verify checksums before uploading
running suite-mismatch: check the target distribution for common errors
running gpg: check GnuPG signatures before the upload
  signfile dsc freebayes_1.3.6-1.dsc ti...@debian.org

  fixup_buildinfo freebayes_1.3.6-1.dsc freebayes_1.3.6-1_amd64.buildinfo
  signfile buildinfo freebayes_1.3.6-1_amd64.buildinfo ti...@debian.org

  fixup_changes dsc freebayes_1.3.6-1.dsc freebayes_1.3.6-1_source.changes
  fixup_changes buildinfo freebayes_1.3.6-1_amd64.buildinfo 
freebayes_1.3.6-1_source.changes
  signfile changes freebayes_1.3.6-1_source.changes ti...@debian.org

Successfully signed dsc, buildinfo, changes files
Uploading freebayes_1.3.6-1.dsc
Uploading freebayes_1.3.6.orig.tar.gz
Uploading freebayes_1.3.6-1.debian.tar.xz
Uploading freebayes_1.3.6-1_amd64.buildinfo
Uploading freebayes_1.3.6-1_source.changes


So sambamba seems to be the latest version in testing and freebayes
should follow soon.

Thanks a lot for pinging here which is really welcome

Andreas.





Re: RF peer review: r-other-ibi-disgenet2r freshly injected into salsa

2021-12-22 Thread Steffen Möller



On 22.12.21 14:32, Andreas Tille wrote:

Hi Steffen,

Am Wed, Dec 22, 2021 at 01:47:35PM +0100 schrieb Steffen Möller:

https://salsa.debian.org/r-pkg-team/r-other-ibi-disgenet2r just arrived.
It needs r-cran-sparql that Andreas kindly uploaded yesterday.

I've added a watch file, renamed to what dh-make-R would have named

Ok, I have just changed the salsa path accordingly to
https://salsa.debian.org/r-pkg-team/r-other-disgenet2r/ .

the package and uploaded.


Great!

Best,
Steffen




RF peer review: r-other-ibi-disgenet2r freshly injected into salsa

2021-12-22 Thread Steffen Möller

Hello again,

https://salsa.debian.org/r-pkg-team/r-other-ibi-disgenet2r just arrived.
It needs r-cran-sparql that Andreas kindly uploaded yesterday.

Many thanks and regards,

Steffen



RFS: r-cran-sparql - dependency for a more typical Med package

2021-12-21 Thread Steffen Möller

Dear Andreas, dear Nilesh, dear all,

I would appreciate some extra scrutiny for

https://salsa.debian.org/r-pkg-team/r-cran-sparql

Please kindly upload if you consider this "ready-enough" or pass the
token back to me, please.

This https://www.disgenet.org/disgenet2r is why I (and Debian at large,
you would have thought that we long feature a SPARQL package) am after it.

Many thanks!
Steffen



Re: Moving python-bioblend to med-team?

2021-12-21 Thread Steffen Möller

Please go ahead - thank you both. If there is any particular action for
me to perform then please ping me, preferably with a respective tag in
the subject line.

Best
Steffen

On 19.12.21 12:05, Andreas Tille wrote:

Hi Nilesh and Steffen,

Am Sun, Dec 19, 2021 at 01:36:50PM +0530 schrieb Nilesh Patra:

python-bioblend is maintained on DPT, however it seems to be made for the
purpose of interacting with galaxy project's APIs.
Hence I was wondering if it is of our interest?

I'm absolutely in favour of this.


It has also not seen uploads for a long time, and I was wondering if it makes 
sense to
move it here.

I wanted to fix a problem on this package as well.

Please go for it - usually Steffen agrees to those kind of moves
and I think he is currently very busy.

Kind regards

   Andreas.






r-bioc-txdb.hsapiens.ucsc.hg19.knowngene on salsa Re: please kindly review: r-bioc-fishpond -- Fishpond: differential transcript and gene expression with

2021-12-13 Thread Steffen Möller

Hi all,

On 10.12.21 17:46, Andreas Tille wrote:

Am Fri, Dec 10, 2021 at 11:57:49AM +0100 schrieb Steffen Möller:

https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=1001436

for r-bioc-txdb.hsapiens.ucsc.hg19.knowngene and when I wanted to inject
it found that it is already existing at

https://salsa.debian.org/r-pkg-team/r-bioc-txdb.hsapiens.ucsc.hg19.knowngene

in a "debian folder only" stage and 4 years old.

You do not mind if I somehow adopt that?

I don't mind at all.  I remember that I used debian/ dir only due to the
size of the source which might have been an issue at the time of
creation.  Technically I wonder whether it makes sense to remove the
repository first and create it from scratch via
prepare_missing_cran_package.  It could perfectly be the case that it is
the more straight approach to get a sensible package - but I'll leave
this decision to you.


I did not have the privileges to remove the previous
r-bioc-txdb.hsapiens.ucsc.hg19.knowngene repository but could rename it,
so that is what I have done and then injected the new one.

Best,
Steffen



Re: please kindly review: r-bioc-fishpond -- Fishpond: differential transcript and gene expression with

2021-12-10 Thread Steffen Möller



On 10.12.21 07:15, Andreas Tille wrote:

Am Fri, Dec 10, 2021 at 03:07:51AM +0530 schrieb Nilesh Patra:

On Thu, Dec 09, 2021 at 08:32:46PM +0100, Steffen Möller wrote:

Hello this goes out to Andreas in particular,

I hope you do not mind me taking over (have a few spare cycles)

I definitely encourage everybody to take over anything that was
addressed to me in particular! ;-)


Same here :) And I have another one . I just prepared this ITP

https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=1001436

for r-bioc-txdb.hsapiens.ucsc.hg19.knowngene and when I wanted to inject
it found that it is already existing at

https://salsa.debian.org/r-pkg-team/r-bioc-txdb.hsapiens.ucsc.hg19.knowngene

in a "debian folder only" stage and 4 years old.

You do not mind if I somehow adopt that?

Best,
Steffen



Uploaded after a few changes.

Thanks a lot

 Andreas.






please kindly review: r-bioc-fishpond -- Fishpond: differential transcript and gene expression with

2021-12-09 Thread Steffen Möller

Hello this goes out to Andreas in particular,

I completed the packaging of r-bioc-fishpond earlier this afternoon.
This is a suggestion for r-bioc-tximport with some other interesting
reverse-dependencies - and tximport makes problems with my rabbit data
that I yet do not understand.

The package does not seem to be overly complicated, builds in
cowbuilder.  I just injected everything to

https://salsa.debian.org/r-pkg-team/r-bioc-fishpond

Many thanks
Steffen



 Forwarded Message 
Subject:ITP: r-bioc-fishpond -- Fishpond: differential transcript and
gene expression with
Date:   Thu, 09 Dec 2021 15:29:05 +0100
From:   Steffen Moeller 
To: Debian Bug Tracking System 



Package: wnpp
Severity: wishlist

Subject: ITP: r-bioc-fishpond -- Fishpond: differential transcript and
gene expression with
Package: wnpp
Owner: Steffen Moeller 
Severity: wishlist

* Package name : r-bioc-fishpond
Version : 2.0.1+ds
Upstream Author : Anzi Zhu,
* URL : https://bioconductor.org/packages/fishpond/
* License : GPL-2
Programming Lang: GNU R
Description : Fishpond: differential transcript and gene expression with
inferential replicates
Fishpond contains methods for differential transcript
and gene expression analysis of RNA-seq data using inferential
replicates for uncertainty of abundance quantification,
as generated by Gibbs sampling or bootstrap sampling. Also the
package contains utilities for working with Salmon and Alevin
quantification files.

Remark: This package is maintained by Debian R Packages Maintainers at
https://salsa.debian.org/r-pkg-team/r-bioc-fishpond


Re: Debian Med video conference tomorrow, Wednesday 2021-11-17 18:00 UTC

2021-11-16 Thread Steffen Möller

Heya,

On 16.11.21 19:58, Nilesh Patra wrote:

For those who are interested in hot topics we want to tackle, here
are some action items to be done:

   - Coordinating work for bioconductor transition (to be started soon)


Nice!

I am traveling and cannot join you. From my side I can only report that
I keep investigating the JavaScript headaches that PiGx RNAseq is
causing in its report. Running with guix, everthing went just smoothly.
That is so annoying. The vega JS library seems to be something else to
cause problems for multiple packages of the Qiime suite, so the JS
situation is something I likely "want" to investigate a bit further.

Enjoy!

Best,
Steffen




Re: no report generation, likely not only for pigx-rnaseq Re: What happened to r-cran-jquerylib ?

2021-11-03 Thread Steffen Möller



On 03.11.21 15:55, Andreas Tille wrote:

Hi Steffen,

Am Wed, Nov 03, 2021 at 12:58:53PM +0100 schrieb Steffen Möller:

Hi Andreas et al.,

We should think about what it means for us not to have a current version
of the DT cran package. For one, it kills the PIGX RNA-seq workflow.

What do you mean by "we should think"?  All we need to do is getting
r-cran-jquerylib *properly*.  Uploading a rejected package to new
without fixing the reasons for a reject is not speeding up things.

I layed out what I consider to have good chances to pass ftpmaster
inspection (see below).  Before I start working on this please confirm
that you asked for rejection of the current upload.


I presume in the meantime you have found the CC to r-pkg-team in which I
was asking for said removal. It predated the email to med by a couple of
minutes.

Concerning the symbolic links - maybe the idea is better than I had
initially thought. Would there be a way to have a warning written when
an older version is requested? Maybe we should just not have the older
versions and provoke a clear and easily(?) detectable error.

The reason I am asking is that with pigx-rnaseq I have generated reports
that do not show two interactive figures. And I did not see anything
obvious on the JavaScript console. I now installed with guix to compare.
The more we fiddle with JavaScript, though, the more likely such
difficulties are likely to develop.

Steffen




On 03.11.21 12:01, Andreas Tille wrote:

Hi again Steffen,

I'd strongly recommend to ask for rejection of your upload to NEW
to not create extra hassle for ftpmaster.

Kind regards
   Andreas.

Am Tue, Nov 02, 2021 at 09:43:07PM +0100 schrieb Andreas Tille:

Hi

Am Sun, Oct 31, 2021 at 07:16:44PM +0100 schrieb Steffen Möller:

I just found there is a new upstream version. I'll upload it and then
likely see it in new.

That will be not successfully, thought.  My idea was to remove jquery
1.x and 2.x from the package and symlink to the Debian packaged version
of jquerylib 3.x.

Unfortunately I did not managed to do this up to now.  Feel free to
beat me in it - but simply uploading a new version to new will just
annoy ftpmaster.




no report generation, likely not only for pigx-rnaseq Re: What happened to r-cran-jquerylib ?

2021-11-03 Thread Steffen Möller

Hi Andreas et al.,

We should think about what it means for us not to have a current version
of the DT cran package. For one, it kills the PIGX RNA-seq workflow.

Steffen

On 03.11.21 12:01, Andreas Tille wrote:

Hi again Steffen,

I'd strongly recommend to ask for rejection of your upload to NEW
to not create extra hassle for ftpmaster.

Kind regards
  Andreas.

Am Tue, Nov 02, 2021 at 09:43:07PM +0100 schrieb Andreas Tille:

Hi

Am Sun, Oct 31, 2021 at 07:16:44PM +0100 schrieb Steffen Möller:

On 31.10.21 19:14, Nilesh Patra wrote:

On 10/31/21 11:30 PM, Steffen Möller wrote:

Hello, I think this goes out to Andreas.

https://salsa.debian.org/r-pkg-team/r-cran-jquerylib/ states that it was
on the NEW queue and somewhere deep in me I recall to have seen it on
there but it seems gone. It is not in the archive though and I do not
recall a rejection email to the list.

Right, I just did a quick check, and it does not seem to be rejected

$ ssh -t coccia.debian.org 'ls -1
/srv/ftp-master.debian.org/queue/reject/r-cran-* | grep jquery | wc
-l' 2>/dev/null
0

Well, I usually CC the ITP bug in my response to a reject - so feel
free to see here:

https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=994867


I manually checked in the dir as well, but I don't see any reject
reason for jquerylib :/ @Andreas, did your dput job fail somehow?
Was this uploaded properly?

I just found there is a new upstream version. I'll upload it and then
likely see it in new.

That will be not successfully, thought.  My idea was to remove jquery
1.x and 2.x from the package and symlink to the Debian packaged version
of jquerylib 3.x.

Unfortunately I did not managed to do this up to now.  Feel free to
beat me in it - but simply uploading a new version to new will just
annoy ftpmaster.

Kind regards

   Andreas.

--
http://fam-tille.de






Re: snakemake-dependency Fwd: Bug#996868: ITP: python-connection-pool -- thread-safe connection pool for python

2021-10-20 Thread Steffen Möller



On 20.10.21 14:08, Nilesh Patra wrote:


On 20 October 2021 6:26:29 am IST, "Steffen Möller"  
wrote:

Snakemake is working for me with python3-connection-pool installed, so I
have uploaded.

Best,

Steffen

I had uploaded with my hack, and autopkgtests work in salsa CI.
I think we simply revert the hack when we have connection pool in archive


Thank you for this.

Steffen



snakemake-dependency Fwd: Bug#996868: ITP: python-connection-pool -- thread-safe connection pool for python

2021-10-19 Thread Steffen Möller

Snakemake is working for me with python3-connection-pool installed, so I
have uploaded.

Best,

Steffen



 Forwarded Message 
Subject:Bug#996868: ITP: python-connection-pool -- thread-safe
connection pool for python
Resent-Date:Wed, 20 Oct 2021 00:33:01 +
Resent-From:Steffen Moeller 
Resent-To:  debian-bugs-d...@lists.debian.org
Resent-CC:  moel...@debian.org, w...@debian.org
Date:   Wed, 20 Oct 2021 02:31:46 +0200
From:   Steffen Moeller 
Reply-To:   Steffen Moeller , 996...@bugs.debian.org
To: Debian Bug Tracking System 



Package: wnpp
Severity: wishlist

Subject: ITP: python-connection-pool -- thread-safe connection pool for
python
Package: wnpp
Owner: Steffen Moeller 
Severity: wishlist

* Package name : python-connection-pool
Version : 0.0.3
Upstream Author : ZhouYL <81438...@qq.com>
* URL : https://github.com/zhouyl/ConnectionPool
* License : Expat
Programming Lang: Python
Description : thread-safe connection pool for python
This package provides a thread-safe connection pool for Python 3.
These are sets database connections that are readily available for
anticipated repeated requests to the same database.

Remark: This package is maintained by Steffen Moeller at
https://salsa.debian.org/python-team/packages/python-connection-pool


Re: snakemake_6.9.1+dfsg1-1_source.changes ACCEPTED into unstable

2021-10-19 Thread Steffen Möller

I just ran into this. Will package this with the Python team now.

On 19.10.21 23:40, Nilesh Patra wrote:



On Wed, 20 Oct 2021 at 00:57, Steffen Möller mailto:steffen_moel...@gmx.de>> wrote:


On 19.10.21 21:12, Nilesh Patra wrote:
> On 10/20/21 12:40 AM, Steffen Möller wrote:
>> Update follows. There is an uninstallable file in the tests
folders. I
>> am now separating -tests and -doc.
>
> Thanks, but that'd go a trip to NEW. It'd be nice if you can fix
it in
> the single-source
> package only, for now. -- So as to not stall migration. What do you
> think?


I see that you did another upload, thanks. But seeing the autopkgtest
result[1]
It looks like it needs connection_pool package, which does not seem to
be present in the archive :-(

[1]: https://salsa.debian.org/med-team/snakemake/-/jobs/2098048
<https://salsa.debian.org/med-team/snakemake/-/jobs/2098048>


Re: snakemake_6.9.1+dfsg1-1_source.changes ACCEPTED into unstable

2021-10-19 Thread Steffen Möller



On 19.10.21 21:12, Nilesh Patra wrote:

On 10/20/21 12:40 AM, Steffen Möller wrote:

Update follows. There is an uninstallable file in the tests folders. I
am now separating -tests and -doc.


Thanks, but that'd go a trip to NEW. It'd be nice if you can fix it in
the single-source
package only, for now. -- So as to not stall migration. What do you
think?


Admittedly I had not thought about that. You have a point. So, yes. I'll
have another local iteration.

Steffen



Re: snakemake_6.9.1+dfsg1-1_source.changes ACCEPTED into unstable

2021-10-19 Thread Steffen Möller

Update follows. There is an uninstallable file in the tests folders. I
am now separating -tests and -doc . And these .snakemake folders come
from installdocs, which is why all these removals failed. Getting there.

Best,
Steffen

On 19.10.21 20:17, Nilesh Patra wrote:
> Many thanks, Steffen :-)
>
> On Tue, 19 Oct, 2021, 10:50 pm Debian FTP Masters,
mailto:ftpmas...@ftp-master.debian.org>> wrote:
>
>
>
> Accepted:
>

Format: 1.8
Date: Tue, 19 Oct 2021 16:32:04 +0200
Source: snakemake
Architecture: source
Version: 6.9.1+dfsg1-1
Distribution: unstable
Urgency: medium
Maintainer: Debian Med Packaging Team
mailto:debian-med-packag...@lists.alioth.debian.org>>
Changed-By: Nilesh Patra mailto:nil...@debian.org>>
Changes:
 snakemake (6.9.1+dfsg1-1) unstable; urgency=medium
 .
   * Team upload.
 .
   [ Andreas Tille ]
   * Fix watchfile to detect new versions on github
   * New upstream version
   * Standards-Version: 4.6.0 (routine-update)
   * Respect DEB_BUILD_OPTIONS in override_dh_auto_test target (routine-
 update)
   * Remove trailing whitespace in debian/copyright (routine-update)
   * Build-Depends: python3-requests-mock
 .
   [ Nilesh Patra ]
   * d/control:
 + Add versioned Dep on pulp (>= 2.0)
 + Add B-D on python3-smart-open
 .
   [ Steffen Moeller ]
   * Unselected tests needing internet access
   * fixing one calling pytest -> pytest-3
   * d/rules: Allowing consecutive builds with better cleaning
   * Added d/TODO to remind about missing "tes" Python module
Checksums-Sha1:
 9c190e155dfdea8b83447db5dc08535cac38e17c 3202 snakemake_6.9.1+dfsg1-1.dsc
 ad1d9ef3bd5d57b7923e5282ba0049101ee2ea27 5035772
snakemake_6.9.1+dfsg1.orig.tar.xz
 ff5459559c30f53a0c064e3cd19ea9866d640a37 21776
snakemake_6.9.1+dfsg1-1.debian.tar.xz
 830981a8a5653b9cfbb8bd974f11a3946501bbeb 16999
snakemake_6.9.1+dfsg1-1_source.buildinfo
Checksums-Sha256:
 cead2fce120ea6bd3873c84e0aa83878cf86db7f7d7aefcea8d1a98637d2e7bb 3202
snakemake_6.9.1+dfsg1-1.dsc
 6fbef35cee9461e4f9ad8f2ea9608ccafe580bd3eeef2f659df3141b3802da67
5035772 snakemake_6.9.1+dfsg1.orig.tar.xz
 5239a71667fff6c9f7424da571cd279fc30fbb581f1dc49c937e2a550193fee8
21776 snakemake_6.9.1+dfsg1-1.debian.tar.xz
 a3bcfa5dc15652395d203b73c44c953942db741883a6dc62a0dc683a29b92ca7
16999 snakemake_6.9.1+dfsg1-1_source.buildinfo
Files:
 4bf2d7714f8fe2aee04d01bd5785e7c1 3202 science optional
snakemake_6.9.1+dfsg1-1.dsc
 284ae10e744cff36b87cf7b729b99b4a 5035772 science optional
snakemake_6.9.1+dfsg1.orig.tar.xz
 bea80d03859e3043379e00be47f00723 21776 science optional
snakemake_6.9.1+dfsg1-1.debian.tar.xz
 e93718609b40a4dfe3287ea19fef630b 16999 science optional
snakemake_6.9.1+dfsg1-1_source.buildinfo


>
>
> Thank you for your contribution to Debian.
>



Re: Lagging behind several versions for snakemake - lots of failed tests in latest version

2021-10-18 Thread Steffen Möller



On 18.10.21 18:41, Rebecca N. Palmer wrote:

On 18/10/2021 08:15, Nilesh Patra wrote:

On Mon, Oct 18, 2021 at 01:32:30AM +0200, Steffen Möller wrote:

Is anyone continuing the update of
snakemake now?


@Rebecca, could you look into it now that pulp is done?
Currently, there is just a very few failing tests -- I guess
most are due to some or the other B-D missing,


Yes, and probably.


Hello,

I also had a look since I need snakemake for pigx-rnaseq and there is a
memory constraint problem that this update may fix if we are lucky
(https://github.com/BIMSBbioinfo/pigx_rnaseq/issues/103).

I removed a few tests that needed external data. I may have saved two
though that just invoked the binaries "python" and "pytest" without the
3/-3 suffix.

Best,
Steffen



Re: Lagging behind several versions for snakemake - lots of failed tests in latest version

2021-10-17 Thread Steffen Möller

Hi Nilesh,

On 17.10.21 23:27, Nilesh Patra wrote:

Hi Steffen,

On Mon, 18 Oct 2021 at 01:41, Steffen Möller mailto:steffen_moel...@gmx.de>> wrote:


On 17.10.21 21:39, Nilesh Patra wrote:

Hi Steffen,

On Mon, 18 Oct 2021 at 01:06, Steffen Möller
mailto:steffen_moel...@gmx.de>> wrote:


On 17.10.21 21:19, Nilesh Patra wrote:

Yeah, snakemake has now moved to pulp 2.0. pulp had another
rev-dep on congress which is now removed from archive.
pulp is maintained in openstack, and I sent out an email to
zigo and openstack-list asking to upgrade,

cf:
https://lists.debian.org/debian-openstack/2021/10/msg1.html
<https://lists.debian.org/debian-openstack/2021/10/msg1.html>



I had been there and already got a reply from zigo (June this
year) that we can go ahead with an update since pulp is (no
longer?) used with Open Stack. I never got around to it,
though. I Just paste our exchange below (don't expect anyone
to mind).

Wonderful, thanks for pasting this!
Are you at it? -- If you could do the needful and upload  :)


Sorry for disappointing you but I am afraid I need to concentrate
on something else this week.


No worries, I have done so, and pushed my changes to:
https://salsa.debian.org/science-team/python-pulp
<https://salsa.debian.org/science-team/python-pulp>
I really, _really_ need reviews. The very odd thing here is same
content in postrm and prerm, and no update-alternatives for installing
in postinst -- I admit, I do not understand pulp very well,
hence would want reviews.

Could you/someone else please, please take a look and upload?
And oh, BTW I added you in the uploaders field since you planned to
takeover this.


Uploaded.

lintian -i preferred the removal in prerm. So, it is a bit redundant
now. I thought this was fine, though. Is anyone continuing the update of
snakemake now?

Best,
Steffen






Re: Lagging behind several versions for snakemake - lots of failed tests in latest version

2021-10-17 Thread Steffen Möller


On 17.10.21 21:39, Nilesh Patra wrote:

Hi Steffen,

On Mon, 18 Oct 2021 at 01:06, Steffen Möller mailto:steffen_moel...@gmx.de>> wrote:


On 17.10.21 21:19, Nilesh Patra wrote:

Yeah, snakemake has now moved to pulp 2.0. pulp had another
rev-dep on congress which is now removed from archive.
pulp is maintained in openstack, and I sent out an email to zigo
and openstack-list asking to upgrade,

cf:
https://lists.debian.org/debian-openstack/2021/10/msg1.html
<https://lists.debian.org/debian-openstack/2021/10/msg1.html>


I had been there and already got a reply from zigo (June this
year) that we can go ahead with an update since pulp is (no
longer?) used with Open Stack. I never got around to it, though. I
Just paste our exchange below (don't expect anyone to mind).

Wonderful, thanks for pasting this!
Are you at it? -- If you could do the needful and upload  :)


Sorry for disappointing you but I am afraid I need to concentrate on
something else this week.

Best,
Steffen




Re: Lagging behind several versions for snakemake - lots of failed tests in latest version

2021-10-17 Thread Steffen Möller


On 17.10.21 21:19, Nilesh Patra wrote:

On 10/18/21 12:13 AM, Rebecca N. Palmer wrote:

On 15/10/2021 14:46, Andreas Tille wrote:

Hi Rebecca

and whoever might care.  As usual snakemake is troublesome to upgrade.
I have injected the latest version into Git but there are lots of
failed tests.  It would be great if someone could care about this.

I hadn't tried to upgrade snakemake because python-pulp is too old
(#963041).


Yeah, snakemake has now moved to pulp 2.0. pulp had another rev-dep on
congress which is now removed from archive.
pulp is maintained in openstack, and I sent out an email to zigo and
openstack-list asking to upgrade,

cf: https://lists.debian.org/debian-openstack/2021/10/msg1.html


I had been there and already got a reply from zigo (June this year) that
we can go ahead with an update since pulp is (no longer?) used with Open
Stack. I never got around to it, though. I Just paste our exchange below
(don't expect anyone to mind).

On 6/8/21 1:40 PM, Steffen Möller wrote:


Hi Thomas,

Am 07.06.2021 um 09:05 schrieb Thomas Goirand:

On 6/5/21 7:52 PM, Steffen Möller wrote:

Hello,

pulp is outdated. Would you mind updating it or having me update it?
There is no immediate reason for me to update that version, the error I
was looking for that made me check the version but then turned out to be
elsewhere.

Since I do not run OpenStack myself, I cannot test the effect of such a
version bump and would hence prefer the OpenStack team to address this
or to guide me towards it.

Cheers,
Steffen


Hi,

I don't think anything from OpenStack uses python-pulp, so feel free to
take over the package if you care for it.

Cheers,

Thomas Goirand

Ah, nice. That makes it easy. I had a first attempt last week and found
the branch structure of your current repository to be incompatible with
git-buildpackage (under my hands) and hence with tools like
routine-update. For Debian Med (and increasingly Debian Science)
routine-update is helping a lot, the automation also eases team
maintenance. Hence, if you do not mind, I would leave everything intact
for the OpenStack repository, copy'n'paste into a new repository that
Debian Science an.

Best,
Steffen


Hi,

FYI, the only thing you got to do is have this in your ~/.gbp.conf:

[DEFAULT]
builder = sbuild --source-only-changes
cleaner = /bin/true
ignore-branch = True
pristine-tar = False
no-create-orig = True
[buildpackage]
export-dir = ../build-area/

The important bit is the ignore-branch and pristine-tar. IMO, these
options should be by default in gbp, otherwise one has to maintain it in
all of the repositories, and for a large amount of packages, that's too
much (useless) work...

Cheers,

Thomas Goirand (zigo)




The test failures look like this isn't the only problem, [...]


ACK.
Thanks a lot for your work!


Yip! Many thanks also from my side.

Steffen



salsa-ci initiation for Debian Med - suspended?

2021-10-01 Thread Steffen Möller

Hi all,

I just got

+ PROJECT_ID=64711
+ set +x
Error GETing https://salsa.debian.org/api/v4/user (HTTP 401):
Unauthorized {"error":"invalid_token","error_description":"Toke... at
/usr/share/perl5/Devscripts/Salsa/update_repo.pm line 114.
W: Could not initiate CI for long-read-assembler, please initiate
 cd /home/steffen/Med/lra/long-read-assembler && salsa update_repo
--ci-config-path debian/salsa-ci.yml med-team/long-read-assembler

which I expected for those teams for which I do not have the
permissions, but not for the med-team. Is this something to talk about
with the salsa admins?

On a sidenote - https://salsa.debian.org/med-team/long-read-assembler is
for academics only. I thought we wait with an upload to New until the
new queue got a bit shorter.

Best,
Steffen



Nature Methods article on worfklows

2021-09-24 Thread Steffen Möller

Wratten, Laura et al.:
Reproducible, scalable, and shareable analysis pipelines with
bioinformatics workflow managers
Nature Methods. 2021
https://doi.org/10.1038/s41592-021-01254-9

They kindly cited the "Reproducible workflows"-paper.

Steffen




Re: Any volunteer to verify autopkgtest of spades?

2021-09-23 Thread Steffen Möller

Hi Tony,

On 23.09.21 15:07, Tony Travis wrote:

On 23/09/2021 13:53, Andreas Tille wrote:

Hi,

some time ago I've pushed a packaging update for Spades. Unfortunately
the autopkgtest fails with
[...]


I'm willing to volunteer, but I don't know how to run "autopkgtest":
Can I just download your package and test it?


You would install both the source tree (with the Debian folder) and
install the binary. Then run

sh debian/tests/run-unit-test

from the source directory.

Many thanks!
Steffen





Re: Any reason to wait with qiime upgrades? (Was: Bug#994470: please update dependency on openblas)

2021-09-20 Thread Steffen Möller



On 20.09.21 13:34, Andreas Tille wrote:

Control: tags -1 pending



On Thu, Sep 16, 2021 at 11:54:18AM +0200, Sébastien Villemot wrote:

q2-types depends on libopenblas-base, which is a transitional dummy package.
Please replace it by libopenblas0.

I did this in Git (please leave distribution to UNRELEASED if a package
is not uploaded for whatever reason).  I'm wondering what might be the
reason to wait with upgrading the qiime / q2-* packages.

That may have happened to me, i.e. it happened to routine-update and i
had not corrected it.

I think they can all be upgraded/sent to new. And I have changed my mind
when it comes to "shall we first complete what we have in bullseye".
Let's just go for the latest version and see how it goes.

Best,
Steffen




Re: Is pigx-rnaseq ready to be uploaded?

2021-09-16 Thread Steffen Möller



On 15.09.21 23:27, Nilesh Patra wrote:

Hi Steffen,

On 9/15/21 5:31 PM, Steffen Möller wrote:

I don't know about the software myself, if you could take a look and push what
you deem sensible, that'd be very cool.

Done. Also eliminated some lintian warnings. All dependencies have been
transitioned, so it cowbuilds now. Good to go imho.

Cool, salsa CI agrees with you as well. Thanks a lot, uploaded

Thank you!

Also, I saw that you added in me to uploaders, thanks a lot for doing this,
but I admit I've no interest in maintaining pigx-rnaseq.
I worked on this package as a part of the team-stuff that I do. Hence, I 
removed myself from Uploaders field
and uploaded.

Sorry for sounding much like a politician, but I forgot about this.
Anyway, I normally do not do this and should have asked.

That said, I'm even motivated to remove myself from uploaders in med-packages 
which I don't have any interest in,
and which has co-maintainers. Let's see.


I agree. A package shall stimulate you somehow and not be a mere
nuisance. Everything else drags your energies. I just suggest you wait
until there is an additional reason to trigger the CI build on salsa,
preferably a new upstream release :)

Best,
Steffen




RFS: r-bioc-stringdb and deps r-cran-gsubfn,r-cran-sqldf

2021-09-15 Thread Steffen Möller

I needed the STRINGdb package locally. Was a bit surprised that we did
not have it already in our archive, I must admit. It comes with some
interesting dependencies.

Steffen



Re: Is pigx-rnaseq ready to be uploaded?

2021-09-15 Thread Steffen Möller



On 13.09.21 20:36, Nilesh Patra wrote:

On 9/13/21 11:07 PM, Steffen Möller wrote:

On 13.09.21 18:27, Nilesh Patra wrote:

...

However, I see that you've added this line in d/ch: "hisat2 - upstream changed 
default genomic aligner"
What would this mean? There's no upstream release for hisat2, as I saw, what 
needs to be done to get this in then?

The package already ships in Debian. This was just that d/changelog is
also meant to summarize what is new in the respective release.

OK, so this was for summary, and not for any TODO, right?

Yes.

d/control
put it as
    hisat2|rna-star ,
which is not perfectly correct, I tend to think, since one would need to
adjust the testing for rna-star if I get this right.

I don't know about the software myself, if you could take a look and push what
you deem sensible, that'd be very cool.


Done. Also eliminated some lintian warnings. All dependencies have been
transitioned, so it cowbuilds now. Good to go imho.

...

Would you object it's removal?

Also, @Andreas, what d'you think?

r-cran-gprofiler should not make it into the next release. But I do not
see a point into removing it from testing. I suggest to file an RC bug
against it, so we do not forget about it.
But do not immediately ask for
its removal.

Filed #994212


Thank you!

I'll contact the pigx-rnaseq upstream group once this transitioned to
testing. They should love this but I also know they are using guix on
their side (so am I when using pigx-rnaseq on our cluster). So, my next
two personal milestones are

 * Qiime update/upload (which implies an update of scikit-learn) and
the automated testing with a qiime-tutorials package
 * Singularity as part of my routine workflows on our cluster

To link this more to our Covid trigger,
https://www.nature.com/articles/s41522-021-00232-5 and other work
describe the effect that Covid has on the microbiome. Dunning-Kruger
here, any such analysis I do not expect to be much more complicated than
what we already show in the tutorials. It may be an interesting
experiment to see if we as a community could jointly come up with a
meta-analysis of these data sets. The meta^2-experiment is how we
interact between ourselves and the outside world to get there.

Best,

Steffen





Re: apache arrow anyone?

2021-08-23 Thread Steffen Möller



On 23.08.21 14:47, Sascha Steinbiss wrote:

Hi Andreas,


[...]

I'd recomment to move the packaging from satta to one of the
interested teams (either science or med or something that is close to
that audience).

I'd be very happy to do that as I am a maintainer in both med and
science. Just did not see the relevance for one of these teams back then
when I did the first packaging. Sooo, which one would you recommend? I
can move the repo as soon as we decide where to.

My use case is not of a scientific nature, so Steffen if yours is not
primarily med-focused, do we want to simply use `science-team`?


I also think that the science-team's repository is where it should go.

Nice!

Steffen




apache arrow anyone?

2021-08-22 Thread Steffen Möller

Dear all,

You once asked me to point to packages that I would consider of
particular importance to be packaged. Got one.

Apache Arrow https://arrow.apache.org/faq/ knows how to efficiently
handle large tabular data. And, while not in our distribution, it blocks
some workflows for Debian Med. Arrow comes with interfaces to all the
prominent languages, for the Med-workflows it is typically the Python
interface pyarrow that is needed.

https://arrow.apache.org/install/ presents a repository for Debian with
a binary distribution on https://apache.jfrog.io/artifactory/arrow. Now,
ideally, Apache would have contributed to Debian directly instead of
providing their own repository. Maybe the right way to approach this
would be to team up with the Apache folks. I just do not see any means
to us just go and use their binary in the meantime since anything
depending on it would not be buildable/testable.

I am not using Arrow myself, but I presume just like me you all know
some project that should be using it :)

Best,
Steffen



Debian package with a script auto-running a qiime2-tutorial

2021-08-21 Thread Steffen Möller

Hello,

You may recall my positive news about the Qiime2 tutorial that I could
run - except for a final step that was affected by version
incompatibility of scikit-learn with a binary file that was meant to
feed a classifier. To run this far, I needed about all the q2-modules
that we have currently in salsa. Hence, it felt natural to use the same
commands as a test script for our qiime2 packages. But - how? As part of
the qiime2 package or the q2cli? Or get the q2cwl into the distribution
and transform the tutorials' workflows into formal workflows?

I now created a qiime-tutorial package [1] that offers a script to
execute all the commands presented in the "moving pictures" tutorial
[2]. The other tutorials I would then add once we have updated the qiime
packages to its latest release. This first tutorial downloads about
25MByte of data when executed. That is not too bad, I thought. When I
started this, I eventually ran into a failure and had difficulties to
identify the script that caused the problem. I hence converted the
script to a Makefile, so repeated executions are not performing anything
redundant. The problem was caused by the dada2 R package that now
reproducibly crashes, but a closer look suggests a missing dist package
in demux. It has not crashed before I installed various updates in
unstable. But that is exactly why this script could be useful.

The repository in [1] is prepared to build as a Debian package. I am
still somewhat uncertain about how to best automate the testing. And if
the "package" should truly hide in a community/tutorials subgroup I am
uncertain about, too.

Let this be a start.

Best,
Steffen

[1] https://salsa.debian.org/med-team/community/tutorials/qiime-tutorials
[2] https://docs.qiime2.org/2021.4/tutorials/



Re: Pytest-ordering - keeps failing in cowbuilder

2021-08-19 Thread Steffen Möller


On 19.08.21 16:56, Nilesh Patra wrote:



On Thu, 19 Aug, 2021, 8:12 pm Steffen Möller, mailto:steffen_moel...@gmx.de>> wrote:


On 19.08.21 15:37, Nilesh Patra wrote:
>
> On 8/19/21 5:52 PM, Steffen Möller wrote:
>> Dear all,
>>
>> This is another small dependency nagging me:
>> https://salsa.debian.org/python-team/packages/pytest-ordering
<https://salsa.debian.org/python-team/packages/pytest-ordering>
>>
>> pytest-3 does not find the local module when runnig cowbuilder,
but it
>> is just fine with gbp or dpkg-buildpackage. Does this ring any
bell for you?
> FWIW,
>
> [1]: https://github.com/ftobia/pytest-ordering/issues/66
<https://github.com/ftobia/pytest-ordering/issues/66>
> [2]: https://github.com/ftobia/pytest-ordering/issues/32
<https://github.com/ftobia/pytest-ordering/issues/32>
> [3]: https://github.com/pytest-dev/pytest-order
<https://github.com/pytest-dev/pytest-order>

Thank you for finding this. I checked out
https://github.com/pytest-dev/pytest-order
<https://github.com/pytest-dev/pytest-order> and .. after some toying
around ... came to the conclusion that this needs to be a separate
package since it is not compatible.

On a sidenote - I think about three Python packages were accepted into
main this day, all created or sponsored by you. Many thanks! This is
also what triggered me in my attempt to address pytest-ordering :)

So, for the moment I think we should go for two packages -
pytest-ordering and pytest-order. But correct me if I am wrong.


tl;dr: Ask upstream and do not package both

Both serve the same purpose, it doesn't make sense to package both.
You should rather ask upstream to start using a dependency that is
maintained instead.

Pushing things to the archive that are unmaintained increases
workload. pytest-ordering is broken ATM, tests fail and those failures
are legit. There are some PRs that should be merged, but that contains
a lot of extra work for us as downstream if we patch a lot of code. We
have limited time/energy ofcourse, right?


So, you are suggesting to shift the efforts towards changing the code
that currently uses pytest-ordering. Towards maintenance I think that
this end-of-the-line thingy is easier since it will not be updated and I
do not need to change anything upstream, I must admit. Also, it is
build-time only and mostly of cosmetic value since the tests do all need
to pass, anyway. Nothing security-sensitive, I mean.

I just checked on conda - they have both, with ordering seeing a few
(but not many) more downloads. My immediate reaction is that my
time-slot for this has ended and I should do something else, i.e.
neither package for now :) But Debian should have both, too, at least
for this release.

Best,
Steffen





Re: Pytest-ordering - keeps failing in cowbuilder

2021-08-19 Thread Steffen Möller



On 19.08.21 15:37, Nilesh Patra wrote:


On 8/19/21 5:52 PM, Steffen Möller wrote:

Dear all,

This is another small dependency nagging me:
https://salsa.debian.org/python-team/packages/pytest-ordering

pytest-3 does not find the local module when runnig cowbuilder, but it
is just fine with gbp or dpkg-buildpackage. Does this ring any bell for you?

FWIW,

[1]: https://github.com/ftobia/pytest-ordering/issues/66
[2]: https://github.com/ftobia/pytest-ordering/issues/32
[3]: https://github.com/pytest-dev/pytest-order


Thank you for finding this. I checked out
https://github.com/pytest-dev/pytest-order and .. after some toying
around ... came to the conclusion that this needs to be a separate
package since it is not compatible.

On a sidenote - I think about three Python packages were accepted into
main this day, all created or sponsored by you. Many thanks! This is
also what triggered me in my attempt to address pytest-ordering :)

So, for the moment I think we should go for two packages -
pytest-ordering and pytest-order. But correct me if I am wrong.

Best,

Steffen



Pytest-ordering - keeps failing in cowbuilder

2021-08-19 Thread Steffen Möller

Dear all,

This is another small dependency nagging me:
https://salsa.debian.org/python-team/packages/pytest-ordering

pytest-3 does not find the local module when runnig cowbuilder, but it
is just fine with gbp or dpkg-buildpackage. Does this ring any bell for you?

Many thanks
Steffen



Today on the 17th and previously Re: Debian Med videoconference tomorrow, Monday 2021-08-02 18:00 UTC

2021-08-17 Thread Steffen Möller

Hi all,

Andreas is not attending today if I got this right, so I thought I just
give a quick reminder. I am not really sure about what will come up,
from my side it is
 * the packages for the qiime2 workflow + how to do the QA for them
 * transitions - bioconductor (and qiime2)

Best,
Steffen

On 01.08.21 21:28, Andreas Tille wrote:

Hi,

this is the call for the next video conference of the Debian Med team
that are an established means to organise the tasks inside our team.
We do these conferences twice per month on every

2th  and  17th

of a month.  Usually it takes us only 15-20min depending what we are
talking about and how many people are joining.  The next meeting is
tomorrow 18:00 UTC

  
https://www.timeanddate.com/worldclock/fixedtime.html?msg=Debian+CoViD-19+Biohackathon+Video+Conference&iso=20210802T18

The meeting is on the Debian Social channel

  https://jitsi.debian.social/DebianMedCovid19

These video meetings were started in the Debian Med Biohackathon.
The topic is what contributors have done in the past period and to
coordinate the work until the next meeting.

For those who are interested in hot topics we want to tackle, here
are some items:

   - Effort to package tensorflow and other ML software which is
 used in several applications that are used to fight COVID-19.
 The precondition bazel to package tensorflow was a direct
 consequence of a Debian Med hackathon and it was even
 acknowledged[1]

   - Package software that is used to fight COVID-19 which we are
 listing in some spreadsheet[2].  It reaches from small tools
 up to complex software packages.  There should be targets for
 everybody who wants to join us.

   - General Debian Med issues not directly connected to COVID-19

   - Finally we should discuss how to start the next release cycle
 since this really the last video conference before the
 Debian 11 release.

Newcomers are always welcome.

Lets keep on the great work and see you today

Andreas.

[1] https://blog.bazel.build/2021/03/04/bazel-debian-packaging.html
[2] 
https://docs.google.com/spreadsheets/d/1tApLhVqxRZ2VOuMH_aPUgFENQJfbLlB_PFH_Ah_q7hM/edit#gid=543782716





Re: q2-diversity tests Re: report on first qiime tutorial with Debian packages

2021-08-13 Thread Steffen Möller

Hi Tony,

On 12.08.21 20:34, Tony Travis wrote:

On 12/08/2021 19:16, Steffen Möller wrote:

--
Ran 153 tests in 557.862s


Hi, Steffen.

QIIME/QIIME2 are notoriously sensitive to the versions of supporting
programs


Thank you for pointing this out. I admit to be impressed by qiime2, and
or some reason that does not make me worry too much. We have a
respective reference result file provided with the tutorials and can
thus ensure that a) everything runs and b) we get equivalent results. If
there are notable differences between the results then this is a bug -
in one of the libraries or in qiime2.


so I think it is important to validate your packaging of QIIME2
against the same analysis using the upstream-supported Bioconda package.


The results files of the tutorials are offered online. I suggest we
implement packages with the code that are contributing to the tutorials
and run them. Then everyone can compare if any deviation is critical or
interesting.

Quite a few packages are outdated in Debian that are used in qiime. So,
this likely means that we will be updating them and then be newer than
what qiime was using when the tutorials were created. I hence do not
strive for binary identity. The overall trends should be the same, though.



I've taught QIIME2 using Jupyter Notebooks on Cyverse:


https://cyverse-jupyter-qiime2.readthedocs-hosted.com/en/latest/README.html



This was well received by the course participants in comparison to
when they were just using the CLI.


I had a look at https://cyverse.org and it seems very compatible with
what Debian is after, but I have not fully grasped it all, yet. Thank
you for this pointer (and your work).

My plan for "after the tutorial packages are functional" is to prepare
decent descriptions of the packages, i.e. the text in the debian/control
files for each package. Should you (or anyone reading this) find(s) the
leisure to help out with that, this would be much appreciated. I made a
first attempt at
https://salsa.debian.org/med-team/q2-diversity/-/blob/master/debian/control
which felt o.k.-ish while I was writing it, yesterday, but today reads a
bit weird :o)

Best,

Steffen



Re: report on first qiime tutorial with Debian packages

2021-08-13 Thread Steffen Möller


On 12.08.21 20:12, Steffen Möller wrote:

BTW, q2-diversity (Build-+)Depends on q2-emperor which again depends
on python3-emperor which are not in the archive. And both do not look
ready for upload yet (in interim state)
If you make them ready, let me know.

I'll have a look. My immediate questions are answered: Debian can
perform the compute and create output files. Since this was running
remotely, I admittedly have not yet checked if emperor (which provides
an interactive 3D visualisation in your web browser) is truly functional.


I had that look, both at emperor and q2-emperor.

emperor fails the reprotest
https://salsa.debian.org/med-team/emperor/-/jobs/1805122/artifacts/browse/debian/output
but that report did not ring any immediate bells.

Best,
Steffen



q2-diversity tests Re: report on first qiime tutorial with Debian packages

2021-08-12 Thread Steffen Möller

--
Ran 153 tests in 557.862s

OK


This was nosetests3. 10 minutes.

Best,
Steffen



Re: report on first qiime tutorial with Debian packages

2021-08-12 Thread Steffen Möller



On 12.08.21 16:31, Nilesh Patra wrote:


On 8/12/21 4:06 PM, Steffen Möller wrote:

Hello,

TL;DR: Qiime tutorial is directly usable with the packages in salsa for 
2020.11.1, no need for anything redundant from Debian. We need to work on 
JavaScript to get q2-diversity into main.

Done and pushed, please take look and let me know if it does its work well

It builds nicely and dpkg -c looks good, alpha (and also beta) diversity
analyses ran fine! Please remind me to ask you some tons of questions at
the next videoconference :)

I followed https://docs.qiime2.org/2021.4/tutorials/moving-pictures/ and must 
admit that I am impressed. This is some nice work. The command lines can be 
copy'n'pasted directly from that page.

What surprised me a bit was that I needed about all the modules we have 
currently functional - it is not that there is a core functionality in the 
qiime package and the additional modules are just making it somewhat nicer or 
so - no. You have phylogeny analyses or you don't. You have diversity anlalyses 
or you don't.

The first trouble I could spot with this very first attempt is with the 
q2-diversity package. This needs JavaScript, which I (not reading the README) 
had missed in my first package. This however is huge:
[..]
Yes. 640 packages.

Not at all.

It just needs webpack for bundling, which is in the archive, and it needs d3 as 
dev depends, which is again in the archive and coincidentally I maintain this 
one
I however had to patch out - to almost rewrite a couple of config files, builds 
now. Check package.json for these things.
Also, using npm is wrong that should not be used in the build - using an npm 
install on webpack will obviously fetch the entire world for you and hence the 
huge number of deps that you see

Feel free to send a respective patch upstream.

BTW, q2-diversity (Build-+)Depends on q2-emperor which again depends on 
python3-emperor which are not in the archive. And both do not look ready for 
upload yet (in interim state)
If you make them ready, let me know.

I'll have a look. My immediate questions are answered: Debian can
perform the compute and create output files. Since this was running
remotely, I admittedly have not yet checked if emperor (which provides
an interactive 3D visualisation in your web browser) is truly functional.

The other concern is that the tutorial provided a classifier in a file format 
of what was from scikit-learn IIRC that was from a newer version of what we 
have in the archive. They want to have their users classify that themselves in 
a future version, so that was not too much of my immediate concern.

Is it not possible to provide an old file format and get the results?

qiime checkes versions and just refuses to continue.

Or is the compatibility completely broken in the versions? Or is it possible to 
achieve that with some patching?
In any case, we have an entire release to get these in properly, so yes not an 
immediate concern


For whatever workflow we will be performing for our testing, this will
not be of concern. The pre-classification was only a shortcut of the
tutorial.

Best,
Steffen



report on first qiime tutorial with Debian packages

2021-08-12 Thread Steffen Möller
Hello,

TL;DR: Qiime tutorial is directly usable with the packages in salsa for 
2020.11.1, no need for anything redundant from Debian. We need to work on 
JavaScript to get q2-diversity into main.

I followed https://docs.qiime2.org/2021.4/tutorials/moving-pictures/ and must 
admit that I am impressed. This is some nice work. The command lines can be 
copy'n'pasted directly from that page.

What surprised me a bit was that I needed about all the modules we have 
currently functional - it is not that there is a core functionality in the 
qiime package and the additional modules are just making it somewhat nicer or 
so - no. You have phylogeny analyses or you don't. You have diversity anlalyses 
or you don't.

The first trouble I could spot with this very first attempt is with the 
q2-diversity package. This needs JavaScript, which I (not reading the README) 
had missed in my first package. This however is huge:

npm install --no-save && \
npm run build && \
cp licenses/* dist/
npm WARN deprecated babel-preset-es2015@6.24.1: 🙌  Thanks for using Babel: we 
recommend using babel-preset-env now: please read https://babeljs.io/env to 
update!
npm WARN deprecated eslint-loader@1.9.0: This loader has been deprecated. 
Please use eslint-webpack-plugin
npm WARN deprecated urix@0.1.0: Please see 
https://github.com/lydell/urix#deprecated
npm WARN deprecated chokidar@1.7.0: Chokidar 2 will break on node v14+. Upgrade 
to chokidar 3 with 15x less dependencies.
npm WARN deprecated resolve-url@0.2.1: 
https://github.com/lydell/resolve-url#deprecated
npm WARN deprecated circular-json@0.3.3: CircularJSON is in maintenance only, 
flatted is its successor.
npm WARN deprecated fsevents@1.2.13: fsevents 1 will break on node v14+ and 
could be using insecure binaries. Upgrade to fsevents 2.
npm WARN deprecated querystring@0.2.0: The querystring API is considered 
Legacy. new code should use the URLSearchParams API instead.
npm WARN deprecated uuid@3.4.0: Please upgrade  to version 7 or higher.  Older 
versions may use Math.random() in certain circumstances, which is known to be 
problematic.  See https://v8.dev/blog/math-random for details.
npm WARN deprecated core-js@2.6.12: core-js@<3.3 is no longer maintained and 
not recommended for usage due to the number of issues. Because of the V8 engine 
whims, feature detection in old core-js versions could cause a slowdown up to 
100x even if nothing is polyfilled. Please, upgrade your dependencies to the 
actual version of core-js.

added 640 packages, and audited 641 packages in 38s

Yes. 640 packages. We likely have quite a few of them in Debian already and can 
somehow help npm to find them, but - ouch. No idea how you feel about this, but 
I somehow sense that we should not be doing this without upstream. And 
preferably, we sync this with JavaScript packaging for conda - otherwise, we 
would always have versions out of sync. So, what I have now come up with is the 
invocation via the Makefile that is provided that downloads what is missing.

The other concern is that the tutorial provided a classifier in a file format 
of what was from scikit-learn IIRC that was from a newer version of what we 
have in the archive. They want to have their users classify that themselves in 
a future version, so that was not too much of my immediate concern.

Best,
Steffen



Re: bokeh - run time deps in salsa Re: q2-* - did a few

2021-08-10 Thread Steffen Möller



On 10.08.21 12:28, Nilesh Patra wrote:


On 8/10/21 3:49 PM, Steffen Möller wrote:

Hello again,
I just pushed Pillow to s.d.o/python-team/packages/python-pillow.

https://tracker.debian.org/pkg/pillow

:)


Argh!

That was because it provides python3-pil (which makes sense), not
python3-pillow.


Again in archive, please consider to close ITP and purge repo. Please consider 
doing an apt-file find/search when you do a package next

Good idea. Removal request sent.

Have not tried compiling bokeh, yet, though. There are three missing Python 
packages that we need for testing, still: channels , geckodriver, pytest-html.

I guess there are also a few JS dependencies along with it - did you have a 
chance to check?


No, have not looked. But I just found "channels" to likely be
https://salsa.debian.org/python-team/packages/python-django-channels.
One down.

Steffen




bokeh - run time deps in salsa Re: q2-* - did a few

2021-08-10 Thread Steffen Möller

Hello again,

On 08.08.21 21:11, Steffen Möller wrote:


On 08.08.21 14:59, Steffen Möller wrote:


On 07.08.21 23:49, Nilesh Patra wrote:


On 8 August 2021 2:57:46 am IST, "Steffen Möller"
 wrote:

On 07.08.21 22:13, Nilesh Patra wrote:

[...]

Do you need some help?

There is a partial dependency of
https://salsa.debian.org/med-team/gneiss (dep of q2-gneiss) on
https://github.com/bokeh/bokeh . The latter seems to produce nice
graphics, no idea how much work that would be to package. Should go to
science rather than med, I suggest. If you could pioneer the packaging
of bokeh then this would be nice.

Bokeh is a beast, and I honestly don't have the time to get it all by
myself. However I can ofcourse hell in the process.

I think Shayan (in CC) was doing something to package Bokeh. @Shayan,
any updates on this?

My suggestion would be to have a section reserved on the spreadsheet
that summarizes all the bokeh dependencies and whatever needs to be done
for it.


bokeh is also essential for the visualization tool
https://github.com/microscopium/microscopium. Seems like we are missing
something.

For a first look at how many dependencies we are missing, I added a
column for bokeh on the spreadsheet ("Others"-tab) on
https://docs.google.com/spreadsheets/d/1tApLhVqxRZ2VOuMH_aPUgFENQJfbLlB_PFH_Ah_q7hM/edit#gid=853602383

and that looks good. A few packages need updates in Debian, but when it
comes to build- and runtime environments, we are mostly fine.


I just pushed Pillow to s.d.o/python-team/packages/python-pillow . Have
not tried compiling bokeh, yet, though. There are three missing Python
packages that we need for testing, still: channels , geckodriver,
pytest-html . My hunch is that these would be not too bad to package and
good for training - ping me for an extracurricular "mentoring of the
week" :)

Steffen



Re: q2-* - did a few

2021-08-08 Thread Steffen Möller



On 08.08.21 14:59, Steffen Möller wrote:


On 07.08.21 23:49, Nilesh Patra wrote:


On 8 August 2021 2:57:46 am IST, "Steffen Möller"
 wrote:

On 07.08.21 22:13, Nilesh Patra wrote:

[...]

Do you need some help?

There is a partial dependency of
https://salsa.debian.org/med-team/gneiss (dep of q2-gneiss) on
https://github.com/bokeh/bokeh . The latter seems to produce nice
graphics, no idea how much work that would be to package. Should go to
science rather than med, I suggest. If you could pioneer the packaging
of bokeh then this would be nice.

Bokeh is a beast, and I honestly don't have the time to get it all by
myself. However I can ofcourse hell in the process.

I think Shayan (in CC) was doing something to package Bokeh. @Shayan,
any updates on this?

My suggestion would be to have a section reserved on the spreadsheet
that summarizes all the bokeh dependencies and whatever needs to be done
for it.


bokeh is also essential for the visualization tool
https://github.com/microscopium/microscopium. Seems like we are missing
something.

For a first look at how many dependencies we are missing, I added a
column for bokeh on the spreadsheet ("Others"-tab) on
https://docs.google.com/spreadsheets/d/1tApLhVqxRZ2VOuMH_aPUgFENQJfbLlB_PFH_Ah_q7hM/edit#gid=853602383
and that looks good. A few packages need updates in Debian, but when it
comes to build- and runtime environments, we are mostly fine.

Best,

Steffen



Re: q2-* - did a few

2021-08-08 Thread Steffen Möller



On 07.08.21 23:49, Nilesh Patra wrote:


On 8 August 2021 2:57:46 am IST, "Steffen Möller"  
wrote:

On 07.08.21 22:13, Nilesh Patra wrote:

[...]

Do you need some help?

There is a partial dependency of
https://salsa.debian.org/med-team/gneiss (dep of q2-gneiss) on
https://github.com/bokeh/bokeh . The latter seems to produce nice
graphics, no idea how much work that would be to package. Should go to
science rather than med, I suggest. If you could pioneer the packaging
of bokeh then this would be nice.

Bokeh is a beast, and I honestly don't have the time to get it all by myself. 
However I can ofcourse hell in the process.

I think Shayan (in CC) was doing something to package Bokeh. @Shayan, any 
updates on this?

My suggestion would be to have a section reserved on the spreadsheet
that summarizes all the bokeh dependencies and whatever needs to be done
for it.

I do not think that the upload of
gneiss should be blocked by that missing dependency, but anyway, this
looks good to have and the circular diagrams that gneiss depends on
bokeh for (if I understood this right) are indeed a thing in microbiome
analyses since no absolute abundances of microbiomes can be measured -
only relative, as nicely representable in a circle.

So I think we have two options:

a) Upload gneiss w/o support of Bokeh for now,  and add Bokeh related 
support/enable Bokeh related tests when we have Bokeh packaged. We have an 
entire release to get it in

b) Only one or two sub parts of gneiss use Bokeh, so
For now, translate the code that uses Bokeh to something that we have in the 
archive. For instance code that uses Bokeh to use matplotlib, or seaborn for 
dataset visualisations.

What do you suggest/think?


a.


Otherwise, you typically bring packages to another level and I
appreciate whatever you find time to address - once the release is out,
I suggest.

:-)


I do not know yet about what qiime2 tutorial (from
https://docs.qiime2.org/2021.4/tutorials/ I presume) I want to run on
Debian. Suggestions are welcome. The simplest as a start :) I kind of
picture a Wiki page that references an established tutorial and then it
should be possible to come up with a "qiime2-debian-test" package that
runs that code. A side-effect I hope to be that I improve the package
descriptions of the q2-* packages.

I think it'd be worth asking upstream too about it, right?


Yes.

What I would very much like to see online inspectable is the output of
the tutorial-package test runs. If you happen to have ideas how to get
there - I would love this as a "tangible" proof of the Debian package's
reliable and as educational material.


Q2-taxa needs a bit of
cleanup with the JavaScript it is shipping. But otherwise, I tend to
think we are done.

I believe I made q2-taxa ready for its entry to the archive. What $cleanup does 
it need exactly?

Aargh. I just still had the "D3-scale-chromatic,

node-d3-scale-chromatic was my first ever contribution to Debian :-)
It was done two years ago


thenBy, natural-sort
JavaScript dependencies" note in the spreadsheet and apparently
missed/forgot about your patches on the mailing list.

I had packaged all of these, and q2-taxa is in the archive, and will be a part 
of bullseye too


To hear that this
is out of the way is really nice!

\o/


These JavaScript packages are both really cumbersome and also something
that Debian can be proud of.

Best,

Steffen




Re: q2-* - did a few

2021-08-07 Thread Steffen Möller



On 07.08.21 22:13, Nilesh Patra wrote:

[...]

Do you need some help?


There is a partial dependency of
https://salsa.debian.org/med-team/gneiss (dep of q2-gneiss) on
https://github.com/bokeh/bokeh . The latter seems to produce nice
graphics, no idea how much work that would be to package. Should go to
science rather than med, I suggest. If you could pioneer the packaging
of bokeh then this would be nice. I do not think that the upload of
gneiss should be blocked by that missing dependency, but anyway, this
looks good to have and the circular diagrams that gneiss depends on
bokeh for (if I understood this right) are indeed a thing in microbiome
analyses since no absolute abundances of microbiomes can be measured -
only relative, as nicely representable in a circle.

Otherwise, you typically bring packages to another level and I
appreciate whatever you find time to address - once the release is out,
I suggest.

I do not know yet about what qiime2 tutorial (from
https://docs.qiime2.org/2021.4/tutorials/ I presume) I want to run on
Debian. Suggestions are welcome. The simplest as a start :) I kind of
picture a Wiki page that references an established tutorial and then it
should be possible to come up with a "qiime2-debian-test" package that
runs that code. A side-effect I hope to be that I improve the package
descriptions of the q2-* packages.


Q2-taxa needs a bit of
cleanup with the JavaScript it is shipping. But otherwise, I tend to
think we are done.

I believe I made q2-taxa ready for its entry to the archive. What $cleanup does 
it need exactly?


Aargh. I just still had the "D3-scale-chromatic, thenBy, natural-sort
JavaScript dependencies" note in the spreadsheet and apparently
missed/forgot about your patches on the mailing list. To hear that this
is out of the way is really nice!

Steffen



q2-* - did a few

2021-08-07 Thread Steffen Möller

Hello,

The qiime plugins are kind of nagging me. We were kind of on track get
complete this prominent microbiome pipeline but seem to have stopped
even though most missing dependencies have found entry in the distribution.

I had another look at the microbiome tab of the spreadsheet
(https://docs.google.com/spreadsheets/d/1tApLhVqxRZ2VOuMH_aPUgFENQJfbLlB_PFH_Ah_q7hM/edit#gid=1986383821)
and filled a few white spots with new packages on salsa, so they are now
yellow spots. I went not for the latest version but for what we have in
the archive now, i.e. 2020.11.1. I have not fully thought this through
but my hunch was that it may be of value to complete the pipeline in the
earlier release that we already have in parts in bullseye.

I'll also do the still missing q2-composition and q2-longitudinal and
then - I think then it is "tutorial time" for me. Q2-taxa needs a bit of
cleanup with the JavaScript it is shipping. But otherwise, I tend to
think we are done.

Best,

Steffen




Bioconductor API Bump to 3.13

2021-08-04 Thread Steffen Möller

Hello,

Our distro currently holds

$ apt-cache show r-bioc-biocgenerics| grep ^Provides
Provides: r-api-bioc-3.12

but about all of BioConductor now needs 3.13. The new
r-bioc-biocgenerics package providing 3.13 can be installed without
problems, but the then missing 3.12 of that API means that all other
reverse dependencies are considered invalid and are uninstalled with an
"apt --fix ...".

In our videoconference I had suggested to have some fun events like the
bulk updating of qiime packages but we should give some extra thoughts
on how to deal with the BioConductor updates. Should this possibly be
automated?

Best,
Steffen



RFS r-bioc-biocgenerics - after the release

2021-08-03 Thread Steffen Möller

This provides the new R API Bioc and is deadly missed. My motivation are
changes to the inject-into-salsa-git for which I need new packages that
all have this as a build-dependency, not the update itself, I must admit :)

Best,
Steffen




Re: Towards AlphaFold

2021-08-02 Thread Steffen Möller



On 02.08.21 07:28, Nilesh Patra wrote:


On 2 August 2021 2:28:13 am IST, "Steffen Möller"  
wrote:

Heya,

@Nilesh, concerning extra files for testing I am just fine. Thank you
for doing this.

Do you think it's good to go for an upload?
If yes, I'll sign and dput


Yes, this would be nice, please do. Many thanks!

Steffen



python-billiard - dep of PyRosetta

2021-08-01 Thread Steffen Möller

Hello,

I know, PyRosetta is not free enough to be packaged, but I hope to
eventually revive an older project that uses it and would like to run it
on Debian. It seems like just two packages are missing - billiard, which
I have just addressed on
https://salsa.debian.org/python-team/packages/python-billiard seems to
be a fine package for parallel computing. I hope to find the opportunity
to read up about it and (yeah!) also add a test. But please feel free to
beat me to it. :o)

Remaining is the https://github.com/dask/dask-jobqueue package and that
visualization JavaScript py3Dmol (https://github.com/3dmol/3Dmol.js) ,
well, yes, would be nice, but I do not see this blocking the building of
PyRosetta.

Best,
Steffen



Re: Towards AlphaFold

2021-08-01 Thread Steffen Möller

Heya,

@Nilesh, concerning extra files for testing I am just fine. Thank you
for doing this.

On 01.08.21 20:39, Andreas Tille wrote:

On Sun, Aug 01, 2021 at 10:27:29PM +0530, Nilesh Patra wrote:

I was not sure about the repository that should host this package. Med felt 
wrong, Science maybe, for https://salsa.debian.org/deeplearning-team this did 
not feel neither deep nor learnish enough, so I went for Python but am not very 
opinionated about it.

Since this definitely is some machine learning tool, deeplearning team is a 
better fit for this one

I admit I would also avoid to spread packages to to many teams.  Its
really hard to watch those with our QA tools.  I would consider the
language teams (be it Python, Java, etc.) only the second best option
since when packages are maintained there we usually learn about RC bugs
via testing removal warnings and info about new upstream versions come
not very visibly to our attention if the packages are not in our tasks
(which is the case for those not really bio-medical preconditions).


I tend to agree. The only itch that I have is that I would like more
people to see the close-to-regular-Python-needs ml_collections package.
From my understanding all it does is to arrange observations with
factors, much like anndata (ok, that is in Med :o) ) .





The next packages are from within https://github.com/deepmind and I would like 
to keep them together, which would now mean within the Deep Learning Team, even 
when some packages are of mere auxiliary nature. Is that fine with you? Or 
rather Science?

deep learning team sounds best. However you might want to send in an email to 
-ai to check w/ rest ai team members

Fine for me.


I agree that the other packages should go to Deep Learning, also because
of bazel and other shared dependencies.

Steffen



Re: Towards AlphaFold

2021-08-01 Thread Steffen Möller

Hello again,

On 01.08.21 16:47, Steffen Möller wrote:


Hello,

I just prepared a package for https://github.com/google/ml_collections
on https://salsa.debian.org/python-team/packages/python-ml-collections
. A review with an optional upload to New would be nice. It is nothing
too special, just something that is on our way to AlphaFold, as
summarised on
https://docs.google.com/spreadsheets/d/1tApLhVqxRZ2VOuMH_aPUgFENQJfbLlB_PFH_Ah_q7hM/edit#gid=1840067013

I was not sure about the repository that should host this package. Med
felt wrong, Science maybe, for
https://salsa.debian.org/deeplearning-team this did not feel neither
deep nor learnish enough, so I went for Python but am not very
opinionated about it.

The next packages are from within https://github.com/deepmind and I
would like to keep them together, which would now mean within the Deep
Learning Team, even when some packages are of mere auxiliary nature.
Is that fine with you? Or rather Science?


bazel is about everywhere in the other packages. And tensorflow is a
dependency already of Jax. No idea what I had expected. A few more easy
targets, presumably :)

Steffen




Towards AlphaFold

2021-08-01 Thread Steffen Möller

Hello,

I just prepared a package for https://github.com/google/ml_collections
on https://salsa.debian.org/python-team/packages/python-ml-collections .
A review with an optional upload to New would be nice. It is nothing too
special, just something that is on our way to AlphaFold, as summarised
on
https://docs.google.com/spreadsheets/d/1tApLhVqxRZ2VOuMH_aPUgFENQJfbLlB_PFH_Ah_q7hM/edit#gid=1840067013

I was not sure about the repository that should host this package. Med
felt wrong, Science maybe, for
https://salsa.debian.org/deeplearning-team this did not feel neither
deep nor learnish enough, so I went for Python but am not very
opinionated about it.

The next packages are from within https://github.com/deepmind and I
would like to keep them together, which would now mean within the Deep
Learning Team, even when some packages are of mere auxiliary nature. Is
that fine with you? Or rather Science?

Best,

Steffen



Re: Autopkgtest for Yanagiba and unc-fish

2021-07-31 Thread Steffen Möller



On 31.07.21 14:47, Nilesh Patra wrote:

On 31/07/21 11:23 AM, Shruti Sridhar wrote:

yanagiba is almost ready, since you downloaded data from ncbi database,
can you write a script for fetching data by running it?
Just like the way I did it for pilercr[5]
I don't have a good idea of navigating this file at the right location
Note that doing this is ``optional``, and let me know if it cannot be done


I have  pushed the get-test-data script.

That would be in complete analogy to the createmanpages script (except
for the hyphens). I like that!

Could you please have a look at it?
Thank you!

Looks pretty good.

The fastq-dump command piped with head was giving me a weird SIGPIPE
error so I split it into two operations instead.
And the data seemed to have changed (just a little) so I updated this
and pushed.


Nice!

Steffen



Re: Removing r-cran-gprofiler from the archive?

2021-07-29 Thread Steffen Möller

Hi Nilesh,

On 28.07.21 21:19, Nilesh Patra wrote:

[CC'ing Steffen who maintains gprofiler]

Hi,

NOTE: This is for action *after* bullseye release

gprofiler description in CRAN[1] itself states that gprofiler is unmaintained 
and new users should use
gprofiler2 instead.
The only reverse(build) dependency of r-cran-gprofiler is pigx-rnaseq, which 
has *also* switched to using gprofiler2
in its latest release.

Hence, IMO this can be asked for a removal, and we could upload the "new" 
r-cran-gprofiler2 package.
I've committed the packaging of this to salsa already[2]

I've three questions:

1) Would anyone have any objections there?

As long as either version is in the archive, this is just fine.

2) Should this have a Breaks+Replaces on r-cran-gprofiler?

Yes.

3) Since we are pretty close to a release, would it be a better idea to upload 
it to NEW post release?


I do not see why not both could be submitted together. The version that
pigx-rnaseq depends on should be in.

Many thanks!

Steffen



[1]: https://cran.r-project.org/web/packages/gProfileR/index.html
[2]: https://salsa.debian.org/r-pkg-team/r-cran-gprofiler2

Nilesh





Re: Broadinstitute catch - elegant way to disable tests requiring online access?

2021-07-28 Thread Steffen Möller



On 28.07.21 14:27, Nilesh Patra wrote:

Hi Steffen,

On 28/07/21 01:06 PM, Steffen Möller wrote:

Hi Nilesh,

  The import of pristine-tar has worked after removing .gitattributes, but
  then the git lfs references were still in the tarball and the
  upstream  branch. pristine-tar could be pushed, but then the other branches 
would
  trigger git lfs errors when pushed to salsa. Only after having all fasta.gz
  lfs files removed, the upload went smoothly and you all now find this on
  https://salsa.debian.org/med-team/broad-catch


  Is that really intended?
  We would not be able to run tests in this case since you essentially
  ended
  up repacking it , since several tests seem to be using that data.

  BTW, I tried to do a little solution for the lfs thingy, for it to not
  store "references" and committed it to my personal repository[1]
  Can you have a look and let me know if it looks sensible?

  Also, you might as well want to have a look at pristine-lfs[2] which
  could
  be interesting to use. I've attempted to use this too, please consider
  taking a look
  I admit, I'm not very used to the lfs workflow, so something could be
  wrong
  for sure.

  Not sure why the CI fails though -- probably it does not work fine with
  lfs, but just thinking of it as a ground for more ideas here :)
  I can clone it locally in a different space and re-produce the tarball,
  and
  I fixed a few tests (not all) -- please consider trying once and let me
  know
[Edit]: all tests pass now on a clean chroot for me

You have outperformed yourself on this one. Thank you tons!

I just removed the broad-catch repository of mine from salsa, please
kindly inject what you have, instead. I am saying that also since
apparently my SALSA_TOKEN apparently does not have authority to adjust
the CI settings.

Pushed to med-team salsa

https://salsa.debian.org/med-team/broad-catch


May I also ask you to upload the package?

I actually wanted to ask a few things before that:

0) Are my changes even correct - is this the way out?
This is my first time packaging a lfs based repository


No idea if it is _the_ way out - but it was _a_ way out at least that
allowed the package to test.


1) When I did the changes, I realised then that the size of repository
  goes really, really huge

$ du -sh broad-catch
785Mbroad-catch

I did not anticipate the package to grow _that_ much. Without the lfs
data it was just at 22M.

(well, a good portion of this is due to both pristine-tar and
pristine-lfs branches)

So do we really want to go that way? I was initially of the impression
that it would be a few megs, but that's quite unfortunately not the case
We can alternatively go with what you pushed earlier and disable tests
instead




2) If we intend to upload this as is, then we really, _really_ need to
either remove installation of all the example fasta files, or we need to
do a separate -examples binary package

Yes. Or get a solution with getData as a test-dependency. But we would
not want to run this with every commit.

3) Would FTP masters be happy with this? Is such a large size OK to go
into the archive?


I first read this a "zero K" :)

The data they ship was last updated in 2018 if I read this right. In
that sense it is nothing volatile.

If we had our own Debian Med repository then this would all be a
no-brainer. We would upload the whole thing or just the data to it.


4) Is the package *that* useful to do that sort of solution for the
same?

No. And even if. Heck, let the folks install it themselves :)

5) Is it easy to long-term maintain it in the current state?

I admit, my connection would not be so reliable to upload all of it in
one shot - atleast not today.

@Andreas, can you take over the uploading work?
And would you also chime into the discussion here?


Next steps would be tell routine-update not to try updating this one. I
can do that.

I think uscan will work fine on this. The next step would be to
introduce pristine-lfs support instead, I guess?


I need to educate myself on pristine-lfs.


And then I would like someone from upstream to comment on
this package and direct us a bit on what else would be good to have in
Debian to help their cause. My "plan" about that is to just go the
official route and introduce the package in a github issue - if it is a
regular user of that package replying, I guess we are just about as happy.

Yes, that sounds sensible
However, I mightn't have a lot of time to spend over this


Maybe we should just leave it in salsa for now and wait if there is any
demand for that software surfacing on the mailing list. The issue github
we can also post with the work residing in salsa.

Best,
Steffen



Re: ArrayExpressHTS ran into removed fastx-toolkit

2021-07-28 Thread Steffen Möller



On 28.07.21 06:30, Andreas Tille wrote:

Hi,

On Wed, Jul 28, 2021 at 01:13:38PM +0900, Charles Plessy wrote:

I had a quick lookKind regards

   Andreas.


  (git grep) at the source code of ArrayExpressHTS and
although it has an option to indicate the path to fasta_formatter, it
appears to never use it.

I patched it out. Many thanks for spotting that!

... and may be report this issue to ArrayExpressHTS upstream?



With that boost, I also had a look at patching out tophat but it seems
like that protocol is much depending on all the bits and pieces that
were nice and shiny when the package was introduced in 2010. We should
discuss with upstream what to do about the package. At the moment, the
only values I see are
 a) retrieving data from ArrayExpress for RNA-seq data (judge
yourselves on
https://www.bioconductor.org/packages/release/bioc/vignettes/ArrayExpressHTS/inst/doc/ArrayExpressHTS.R)
which was my motivation to package it
 b) increasing %age of what we cover from Bioconductor
 c) increasing %age of what we cover from CRAN

Best,
Steffen




Re: Broadinstitute catch - elegant way to disable tests requiring online access?

2021-07-28 Thread Steffen Möller

Hi Nilesh,

On 27.07.21 23:53, Nilesh Patra wrote:

On 28 July 2021 3:00:08 am IST, Nilesh Patra  wrote:

Hi Steffen,

On Tue, 27 Jul 2021 at 23:05, Steffen Möller 
wrote:


Hi Nilesh,

Thank you tons for thinking along.

It took me a bit but. Too long. The answer is that git does not lose

the

sensation of a file being a git lfs reference even when you download

a

tar.gz. For some reason I had expected that all genomes were truly

gzipped

fasta files, but no, they were still references. Maybe I had

inadvertently

transformed a few to what they point to during a first build and that

is

why I then did not find the issue a bit earlier.

The import of pristine-tar has worked after removing .gitattributes,

but

then the git lfs references were still in the tarball and the

upstream

branch. pristine-tar could be pushed, but then the other branches

would

trigger git lfs errors when pushed to salsa. Only after having all

fasta.gz

lfs files removed, the upload went smoothly and you all now find this

on

https://salsa.debian.org/med-team/broad-catch


Is that really intended?
We would not be able to run tests in this case since you essentially
ended
up repacking it , since several tests seem to be using that data.

BTW, I tried to do a little solution for the lfs thingy, for it to not
store "references" and committed it to my personal repository[1]
Can you have a look and let me know if it looks sensible?

Also, you might as well want to have a look at pristine-lfs[2] which
could
be interesting to use. I've attempted to use this too, please consider
taking a look
I admit, I'm not very used to the lfs workflow, so something could be
wrong
for sure.

Not sure why the CI fails though -- probably it does not work fine with
lfs, but just thinking of it as a ground for more ideas here :)
I can clone it locally in a different space and re-produce the tarball,
and
I fixed a few tests (not all) -- please consider trying once and let me
know

Edit: all tests pass now on a clean chroot for me


You have outperformed yourself on this one. Thank you tons!

I just removed the broad-catch repository of mine from salsa, please
kindly inject what you have, instead. I am saying that also since
apparently my SALSA_TOKEN apparently does not have authority to adjust
the CI settings. May I also ask you to upload the package?

Next steps would be tell routine-update not to try updating this one. I
can do that. And then I would like someone from upstream to comment on
this package and direct us a bit on what else would be good to have in
Debian to help their cause. My "plan" about that is to just go the
official route and introduce the package in a github issue - if it is a
regular user of that package replying, I guess we are just about as happy.

Many thanks again!

Steffen




Re: Broadinstitute catch - elegant way to disable tests requiring online access?

2021-07-27 Thread Steffen Möller

Hi Nilesh,

Thank you tons for thinking along.

On 27.07.21 17:47, Nilesh Patra wrote:


On Tue, 27 Jul, 2021, 9:02 pm Steffen Möller, mailto:steffen_moel...@gmx.de>> wrote:

Hello,

This package is one of the closest that we have on our radar to suit
virologists, to I went for CATCH from the broad institute at
https://github.com/broadinstitute/catch
<https://github.com/broadinstitute/catch> . Conda has it already,
does not
surface on bio.tools, though.

Testing takes quite a while (~15mins) and the few that fail seem to
depend on viral sequence data that cannot be downloaded. So, I
consider
the package functional, but don't really know what to do with the test
that fail because they have to fail.

Are there suggestions from your sides what to do about them?

On another note, when I just wanted to inject it all to salsa, it
failed
to create the pristine-tar:


> [...]


That file is small

$ du -sh catch/datasets/data/achimota_rubulavirus_1.fasta.gz
8.5K catch/datasets/data/achimota_rubulavirus_1.fasta.gz

so there is no need for git-lsf in the first place, right?


Yes, no need. It looks weird on first look though

Any idea?


If you have the sources in a non-git repository could you do something
like:

$ dpkg-source -b .
$ cd ..
$ gbp import-dsc --pristine-tar 

And see what you get?

> 
> Huge test log
> 

Some of these don't work due to a missing .tsv file, others because
they try to access internet w/ urllib, few others due to a missing
fasta file.

But it's difficult to debug till we have a repository in salsa to look
stuff up and fix, so if you could commit, it'd be easy to move forward


It took me a bit but. Too long. The answer is that git does not lose the
sensation of a file being a git lfs reference even when you download a
tar.gz. For some reason I had expected that all genomes were truly
gzipped fasta files, but no, they were still references. Maybe I had
inadvertently transformed a few to what they point to during a first
build and that is why I then did not find the issue a bit earlier.

The import of pristine-tar has worked after removing .gitattributes, but
then the git lfs references were still in the tarball and the upstream
branch. pristine-tar could be pushed, but then the other branches would
trigger git lfs errors when pushed to salsa. Only after having all
fasta.gz lfs files removed, the upload went smoothly and you all now
find this on https://salsa.debian.org/med-team/broad-catch .

Tests seem to do just as fine as before, still.

Best,

Steffen



Broadinstitute catch - elegant way to disable tests requiring online access?

2021-07-27 Thread Steffen Möller

Hello,

This package is one of the closest that we have on our radar to suit
virologists, to I went for CATCH from the broad institute at
https://github.com/broadinstitute/catch . Conda has it already, does not
surface on bio.tools, though.

Testing takes quite a while (~15mins) and the few that fail seem to
depend on viral sequence data that cannot be downloaded. So, I consider
the package functional, but don't really know what to do with the test
that fail because they have to fail.

Are there suggestions from your sides what to do about them?

On another note, when I just wanted to inject it all to salsa, it failed
to create the pristine-tar:

steffen@wurzel:~/Med/catch/broad-catch$ gbp import-orig --pristine-tar
../broad-catch_1.4.0.orig.tar.gz
What will be the source package name? [broad-catch]
What is the upstream version? [1.4.0]
gbp:info: Importing '../broad-catch_1.4.0.orig.tar.gz' to branch
'upstream'...
gbp:info: Source package is broad-catch
gbp:info: Upstream version is 1.4.0
gbp:error: Import of ../broad-catch_1.4.0.orig.tar.gz failed: Error
running git add: git-lfs filter-process: 1: git-lfs: not found
fatal: the remote end hung up unexpectedly
gbp:error: Error detected, Will roll back changes.
gbp:info: Rolling back branch 'upstream' by deleting it
gbp:error: Rolled back changes after import error.

And with git-lsf installed this does not look too different as

gbp:info: Importing '../broad-catch_1.4.0.orig.tar.gz' to branch
'upstream'...
gbp:info: Source package is broad-catch
gbp:info: Upstream version is 1.4.0
gbp:error: Import of ../broad-catch_1.4.0.orig.tar.gz failed: Error
running git reset: Downloading
catch/datasets/data/achimota_rubulavirus_1.fasta.gz (5.2 KB)
Error downloading object:
catch/datasets/data/achimota_rubulavirus_1.fasta.gz (895bdf9): Smudge
error: Error downloading
catch/datasets/data/achimota_rubulavirus_1.fasta.gz
(895bdf954b08626bc420f660693aa13fce85523743f67bbcdfbca65821f8b912):
batch request: missing protocol: ""

Errors logged to
/home/steffen/Med/catch/broad-catch/.git/lfs/logs/20210727T172624.851291063.log
Use `git lfs logs last` to view the log.
error: external filter 'git-lfs filter-process' failed
fatal: catch/datasets/data/achimota_rubulavirus_1.fasta.gz: smudge
filter lfs failed
gbp:error: Error detected, Will roll back changes.
gbp:info: Rolling back branch 'upstream' by deleting it
gbp:info: Rolling back branch 'pristine-tar' by deleting it
gbp:info: Rolling back tag 'upstream/1.4.0' by deleting it
gbp:info: Rolling back branch 'master' by deleting it
gbp:error: Automatic rollback failed [('master', 'branch', 'delete',
None, GitRepositoryError("Can't delete the branch you're on"))]
gbp:error: Clean up manually and please report a bug: [('master',
'branch', 'delete', None, GitRepositoryError("Can't delete the branch
you're on"))]

That file is small

$ du -sh catch/datasets/data/achimota_rubulavirus_1.fasta.gz
8.5K    catch/datasets/data/achimota_rubulavirus_1.fasta.gz

so there is no need for git-lsf in the first place, right?

Any idea?

Thanks,
Steffen





==
ERROR: test_n_string
(catch.filter.tests.test_candidate_probes.TestCandidateProbesOnEbolaZaire)
Test that no probes have a string of two or more 'N's.
--
Traceback (most recent call last):
  File
"/home/steffen/Med/catch/catch-1.4.0/.pybuild/cpython3_3.9_catch/build/catch/filter/tests/test_candidate_probes.py",
line 144, in setUp
    for gnm in seq_io.read_dataset_genomes(zaire_ebolavirus)]
  File
"/home/steffen/Med/catch/catch-1.4.0/.pybuild/cpython3_3.9_catch/build/catch/utils/seq_io.py",
line 71, in read_dataset_genomes
    seqs = list(read_fasta(fn).values())
  File
"/home/steffen/Med/catch/catch-1.4.0/.pybuild/cpython3_3.9_catch/build/catch/utils/seq_io.py",
line 152, in read_fasta
    with gzip.open(fn, 'rt') as f:
  File "/usr/lib/python3.9/gzip.py", line 58, in open
    binary_file = GzipFile(filename, gz_mode, compresslevel)
  File "/usr/lib/python3.9/gzip.py", line 173, in __init__
    fileobj = self.myfileobj = builtins.open(filename, mode or 'rb')
FileNotFoundError: [Errno 2] No such file or directory:
'/home/steffen/Med/catch/catch-1.4.0/.pybuild/cpython3_3.9_catch/build/catch/datasets/data/zaire_ebolavirus.fasta.gz'

==
ERROR: test_probe_count
(catch.filter.tests.test_candidate_probes.TestCandidateProbesOnEbolaZaire)
Test that probe counts are in roughly a correct ratio.
--
Traceback (most recent call last):
  File
"/home/steffen/Med/catch/catch-1.4.0/.pybuild/cpython3_3.9_catch/build/catch/filter/tests/test_candidate_probes.py",
line 144, in setUp
    for gnm in seq_io.read_dataset_genomes(zaire_ebolavirus)]
  File
"/home/steffen/Med/catch/catch-1.4.0/.pybuild/cpython3_3.9_catch/build/catch/utils/seq_io.py",
li

Re: ArrayExpressHTS ran into removed fastx-toolkit

2021-07-27 Thread Steffen Möller


On 27.07.21 12:53, Nilesh Patra wrote:



On Tue, 27 Jul, 2021, 4:16 pm Nilesh Patra, mailto:nil...@debian.org>> wrote:

and its reverse dependencies
like ArrayExpressHTS with it, then?


Not needed for reverse dependencies, if we push those to ofiicial
bullseye-backports.

    
Erm, correction here. Ofcourse, we will need to push in reverse-deps
of fastx-toolkit to fasttrack.

But I think in such a case we might end up pushing relatively more
useful (chain of) packages in there.
But everything depends on if fastx-toolkit is absolutely impossible to
have in testing.
We do have several softwares in the archive where the upstream is
dead. Unless fastx-toolkit is completely not suited for release, we
could think about maintaining it ourselves


And in my mind, keeping such older software afloat is part of the
service that Debian provides to the community. So, let's hope for a path
back into testing.

Best,
Steffen



ArrayExpressHTS ran into removed fastx-toolkit

2021-07-27 Thread Steffen Möller

Hello,

fastx-toolkit https://tracker.debian.org/pkg/fastx-toolkit ran into a
bug in one of its dependencies and was removed for that reason.
ArrayExpressHTS still depends on fasta_formatter from that library.

In the meantime, Pierre has fixed that bug on that dependency of
fastx-toolkit, so I think this could go back in, right?

If we are concerned about taking responsibility for fastx-toolkit since
upstream officially declared it as unsupported, then maybe this would be
something for https://fasttrack.debian.net/ and its reverse dependencies
like ArrayExpressHTS with it, then? But since complicates everything, I
would like not go that route.

Steffen




Re: q2-* d/watch files updated

2021-07-25 Thread Steffen Möller



On 25.07.21 22:04, Nilesh Patra wrote:

Howdy

On 7/25/21 10:25 PM, Steffen Möller wrote:

Hello,

there is a 2021.4.0 version tagged that should be found by all the
d/watch files but that was not the case for quite a number of the q2-*
packages. I have updated them and gave them all a quick "uscan
--verbose" to test.

Cool, thanks for doing this.
As you might've noticed, a few of these do not build on 32-bit arches due to
missing python3-skbio dep there, so I disabled salsa CI for these

Nice. I mean, not the missing dep, but .. you know what.

Also, there's this package: "q2-vsearch" that you pushed in a commit to, this is
not in the archive -- the build fails too as seen in CI too. Is this useful?
Should this be fixed and uploaded (to NEW)?

I had a look but did not immediately grasp why this failed. In
principle, yes, should be fixed and uploaded. How ultimately useful this
is I cannot tell, really. My microbiome skills are a bit, but not much,
above those of our pets. :-)

@Andreas, https://blends.debian.org/med/tasks/bio does not give the
"Newer update" note for any of these packages. But it should have for
those for which uscan has worked fine, right?

This is because github changed its fetch URL from ./archive/... to 
./archive/.*/
Similar results could be seen on UDD as well[1] -- you can see several
"uscan returned an error: In debian/watch no matching files for watch line 
https://github.com"; there

I also sent in a mail about it to mass fix watch files[2], and there was a 
longish discussion on -devel too about this[3]

[1]: 
https://udd.debian.org/dmd/?debian-med-packaging%40lists.alioth.debian.org#todo
[2]: https://lists.debian.org/debian-med/2021/04/msg00025.html
[3]: https://lists.debian.org/debian-devel/2021/03/msg00179.html


I think it was a mixture of that transition and a copy'n'paste of a
dependency on a github.com/.../release/latest URL that does not seem to
be preserved.

This qiime package and its modules is one of those corners of Debian Med
that keep nagging me. The packages are now all a bit dated, looking
forward to a working unstable and then backports, really. We just need
one regular experiment to run as part of the CI tests and we are good, I
tend to think.

Best,
Steffen




q2-* d/watch files updated

2021-07-25 Thread Steffen Möller

Hello,

there is a 2021.4.0 version tagged that should be found by all the
d/watch files but that was not the case for quite a number of the q2-*
packages. I have updated them and gave them all a quick "uscan
--verbose" to test.

@Andreas, https://blends.debian.org/med/tasks/bio does not give the
"Newer update" note for any of these packages. But it should have for
those for which uscan has worked fine, right?

Best,
Steffen



Re: DeepMind’s AI Advanced Protein Structure Prediction tool Open Sourced

2021-07-23 Thread Steffen Möller



On 19.07.21 09:28, Michael Banck wrote:

On Sun, Jul 18, 2021 at 08:47:23PM +0200, Steffen Möller wrote:

Following the references in

https://www.nature.com/articles/d41586-021-01968-y

I found this reference

https://github.com/RosettaCommons/RoseTTAFold/tags

but I admittedly cannot tell that I'd have fully grasped who is doing
what and publishes what software where, yet.

https://arstechnica.com/science/2021/07/google-details-its-protein-folding-software-academics-offer-an-alternative/

tried to break it down.


Reddit and Michael from Rechenkraft.net pointed me to

https://www.nature.com/articles/s41586-021-03828-1

which announces AlphaFold predictions for all human proteins - ready to
download from the EBI.

In my mind this makes it more, not less, important to get this all into
Debian, so people can also start fiddling with the model and not only
create new predictions (which they should also do).

Best,
Steffen





Viral-NGS packages for genomic sequencing

2021-07-22 Thread Steffen Möller

https://github.com/broadinstitute/viral-ngs/blob/master/requirements-conda.txt

lists dependencies for

https://viral-ngs.readthedocs.io/en/latest/

that I have just transferred into a column on the "Virus" tab of that
spreadsheet
https://docs.google.com/spreadsheets/d/1tApLhVqxRZ2VOuMH_aPUgFENQJfbLlB_PFH_Ah_q7hM/edit#gid=543782716

We have most of it. But not all. The documentation may also help our
discussions.

Best,
Steffen



Re: Should sambamba be uploaded at this stage?

2021-07-21 Thread Steffen Möller



On 21.07.21 13:06, Pjotr Prins wrote:

On Wed, Jul 21, 2021 at 12:23:44PM +0200, Steffen Möller wrote:

Yes, please. I know we aim for all architectures, but no one runs
sambamba on less that 64 bits, so we have not supported that.

all other 64bit platforms would be fine? Like PPC64, mips64el, sparc64,
and riscv64? These are just unofficial platforms
([1]https://wiki.debian.org/SupportedArchitectures) but I suggest not
to exclude them.

Untested, but may work. The BAM format is little-endian, so that may
be an issue on some.


That would then be my preferred solution.


Tell me what I can do upstream.

Praise the package on your home page with a badge once your are happy
with it :)
[3]https://badges.debian.net/badges/debian/unstable/sambamba/version.svg

there is a badge already!


Best-possible answer. And such a nice one!

Fixed in
https://docs.google.com/spreadsheets/d/1tApLhVqxRZ2VOuMH_aPUgFENQJfbLlB_PFH_Ah_q7hM/edit#gid=543782716

Thanks!

Steffen



Re: Should sambamba be uploaded at this stage?

2021-07-21 Thread Steffen Möller

Hey Pjotr,

On 21.07.21 07:26, Pjotr Prins wrote:

Hi Nilesh,

Sambamba co-author here.

On Wed, Jul 21, 2021 at 02:47:17AM +0530, Nilesh Patra wrote:

Hi,

It came to my notice that sambamba does not list copyright holders,
and copyrgiht holders of several files are missing.

I wonder if this is a RC bug, since I've seen a few of these earlier,
for example #823865

I fixed the copyright stuff, but along with that I did a bunch of other
changes:

I'll add those fixes upstream.


  - Repacked shunit2, since it makes no sense to vendor an embedded copy
  - Added autopkgtests
  - Minor changed to d/watch, d/salsa-ci.yml
  - Added d/gbp.conf
  - Fixed an override

All changes on salsa

Also, I see here[1] that sambamba builds only on amd64 and arm64 because
of missing B-D - so should supported arches in d/control be changed to
only these two?

Yes, please. I know we aim for all architectures, but no one runs
sambamba on less that 64 bits, so we have not supported that.

all other 64bit platforms would be fine? Like PPC64, mips64el, sparc64,
and riscv64? These are just unofficial platforms
(https://wiki.debian.org/SupportedArchitectures) but I suggest not to
exclude them.



Similar changes in "Architecture" field in d/tests/control

I do not have more time to spend with this package, so if @Andreas,
@Etienne, someone else could
revert/add/edit a few changes and sponsor me an upload, I'd really
appreciate that provided this is an RC bug (which I think it is)

[1]: https://buildd.debian.org/status/package.php?p=sambamba

Nilesh

Tell me what I can do upstream.


Praise the package on your home page with a badge once your are happy
with it :)

https://badges.debian.net/badges/debian/unstable/sambamba/version.svg

Cheers,
Steffen





ncbi-toolbox: building winmaster, need help with assignment to source package

2021-07-20 Thread Steffen Möller

Hello,

I think this goes out to Aaron,

https://github.com/wdecoster/nano-snakemake/tree/master/bin

points to a binary of
https://www.ncbi.nlm.nih.gov/IEB/ToolBox/CPP_DOC/lxr/source/src/app/winmasker/


which lies next to Cn3D in the source tree, which got me confused enough
to ask if this qualifies as a separate tool or if instead this should be
built together with ncbi-cn3d as part of the ncbi-tools6 source package?

And while I looked through all that, I found igblast at
https://www.ncbi.nlm.nih.gov/IEB/ToolBox/CPP_DOC/lxr/source/src/app/igblast/
which I previously took from
https://ftp.ncbi.nih.gov/blast/executables/igblast/release with loads of
redundancies that I had failed to clean up.

Are there any directions for me what to take from where?

Best,
Steffen



Re: DeepMind’s AI Advanced Protein Structure Prediction tool Open Sourced

2021-07-20 Thread Steffen Möller



On 19.07.21 20:03, Andrius Merkys wrote:

Hi Nilesh,

On 2021-07-19 10:24, Nilesh Patra wrote:

On 19 July 2021 12:50:03 pm IST, Andrius Merkys  wrote:

Currently I am looking into ProMod3 [3], which seems to be the engine
behind the great SWISS-MODEL service [4]. I seem to have figured out
the
dependencies, will go on to packaging next.

Let us know if you need help with packaging the chain, in case you need helping 
hands :-)

Thanks a lot for your kind offer! I will let you know as soon as I reach
a point of effort parallelization :)


I looked at the dependencies for alphaFold and broke them down on

https://docs.google.com/spreadsheets/d/1tApLhVqxRZ2VOuMH_aPUgFENQJfbLlB_PFH_Ah_q7hM/edit#gid=1840067013

May I ask you to add arrange the dependencies of SWISS-MODEL/ProMod3 in
that sheet, too?

Best,
Steffen




  1   2   3   4   5   6   7   8   9   10   >