[Bioc-devel] is it possible to disable i386 builds on bioconductor

Hervé Pagès hp@ge@@on@g|thub @end|ng |rom gm@||@com
Fri Mar 19 22:41:53 CET 2021


Hi Thomas, Kevin,

Looks like ChemmineOB 1.28.2 is finally green on malbec1 and is now 
available in BioC 3.12 via BiocManager::install():

   https://bioconductor.org/checkResults/3.12/bioc-LATEST/ChemmineOB/

Cheers,
H.


On 3/17/21 10:23 AM, Thomas Girke wrote:
> Awesome, thanks!
> 
> On Tue, Mar 16, 2021 at 11:40 PM Hervé Pagès <hpages.on.github using gmail.com 
> <mailto:hpages.on.github using gmail.com>> wrote:
> 
>     Hi Thomas, Kevin,
> 
>     openbabel3 is now on malbec1 (Ubuntu 18.04). Kevin's
>     ubuntu_18.04_openbabel3_debs.tar.gz worked like a charm. Thanks for
>     making it so easy.
> 
>     Note that this addition will affect ChemmineOB build/check results on
>     malbec1 on Thursday only:
> 
> 
>     https://bioconductor.org/checkResults/3.12/bioc-LATEST/ChemmineOB/malbec1-install.html
>     <https://bioconductor.org/checkResults/3.12/bioc-LATEST/ChemmineOB/malbec1-install.html>
> 
>     Cheers,
>     H.
> 
> 
>     On 3/16/21 10:24 AM, Hervé Pagès wrote:
>      > @Kevin: Thanks for providing openbabel3 for Ubuntu 18.04. Will
>     take a
>      > look ASAP.
>      >
>      > @Thomas: Yes, the Ubuntu 18.04 builds are only used for the BioC
>     3.12
>      > builds (release). BioC 3.13 and further BioC releases are/will be
>     using
>      > Ubuntu >= 20.04.
>      >
>      > Best,
>      > H.
>      >
>      >
>      > On 3/15/21 1:59 PM, Thomas Girke wrote:
>      >> Thanks Hervé for your help with this.
>      >>
>      >> Kevin has provided the *.deb package for installing OpenBabel
>     3.x on
>      >> Ubuntu 18.04. Just in case, below is how we usually install
>     OpenBabel
>      >> 3.x.x across different Ubuntu/Debian systems.
>      >>
>      >> BTW: is it correct to assume that the Ubuntu 18.04 builds will be
>      >> discontinued in the next release in April?
>      >>
>      >> Thanks,
>      >>
>      >> Thomas
>      >>
>      >>
>      >> ## Install ChemmineOB with OpenBabel 3.x from source
>      >>
>      >> ## First uninstall libopenbabel-dev (which is version 2.x.x) if
>      >> already installed via
>      >> sudo apt-get remove libopenbabel-dev; sudo apt-get purge
>      >> libopenbabel-dev; sudo apt-get --purge autoremove libopenbabel-dev
>      >> ## Some dependencies to install
>      >> sudo apt install cmake libeigen3-dev libboost-all-dev
>      >> ## Clone OpenBabel 3.x.x from GitHub here:
>      >> https://github.com/openbabel/openbabel
>     <https://github.com/openbabel/openbabel>
>      >> <https://github.com/openbabel/openbabel
>     <https://github.com/openbabel/openbabel>>
>      >> git clone git using github.com:openbabel/openbabel.git
>      >> mkdir build; cd build
>      >> cmake ../openbabel
>      >> make
>      >> sudo make install
>      >> ## Install ChemmineOB where you provide environment variables
>      >> including header files and ChemmineOB package iprovided as *.tar.gz
>      >> (adjust paths if not correct)
>      >> R CMD INSTALL
>      >>
>     --configure-args='--with-openbabel-include=/usr/local/include/openbabel3/
> 
>      >> --with-openbabel-lib=/usr/local/lib/openbabel/3.1.1'
>      >> ChemmineOB_1.28.0.tar.gz
>      >>
>      >> On Mon, Mar 15, 2021 at 1:12 PM Kevin Horan <khoran using cs.ucr.edu
>     <mailto:khoran using cs.ucr.edu>
>      >> <mailto:khoran using cs.ucr.edu <mailto:khoran using cs.ucr.edu>>> wrote:
>      >>
>      >>     Herve,
>      >>
>      >>           I've backported openbabel3 from 20.04 to 18.04. You can
>      >>     download a
>      >>     tarball with all the deb files in here:
>      >>
>      >>
>      >>
>     http://cluster.hpcc.ucr.edu/~khoran/ubuntu_18.04_openbabel3_debs.tar.gz
>     <http://cluster.hpcc.ucr.edu/~khoran/ubuntu_18.04_openbabel3_debs.tar.gz>
>      >>
>      >>
>     <http://cluster.hpcc.ucr.edu/~khoran/ubuntu_18.04_openbabel3_debs.tar.gz
>     <http://cluster.hpcc.ucr.edu/~khoran/ubuntu_18.04_openbabel3_debs.tar.gz>>
>      >>
>      >>     Kevin
>      >>
>      >>     On 3/15/21 10:10 AM, Hervé Pagès wrote:
>      >>      > Hi Thomas, Kevin,
>      >>      >
>      >>      > We still need to install the system deps on the devel Windows
>      >>     builders
>      >>      > (riesling1 and tokay2). We'll do it this week. Thanks for the
>      >>     reminder
>      >>      > and for making the OpenBabel-3.0.0 Windows Binaries
>     available on
>      >>     your
>      >>      > GitHub repo.
>      >>      >
>      >>      > Note that OpenBabel 3 is installed on machv2 (devel macOS
>      >> builders):
>      >>      >
>      >>      >   machv2:~ biocbuild$ which obabel
>      >>      >   /usr/local/bin/obabel
>      >>      >
>      >>      >   machv2:~ biocbuild$ obabel -V
>      >>      >   Open Babel 3.1.0 -- Oct 21 2020 -- 21:57:42
>      >>      >
>      >>      >   machv2:~ biocbuild$ pkg-config --cflags openbabel-3
>      >>      >   -I/usr/local/Cellar/open-babel/3.1.1_1/include/openbabel3
>      >>      >
>      >>      >   machv2:~ biocbuild$ pkg-config --libs openbabel-3
>      >>      >   -L/usr/local/Cellar/open-babel/3.1.1_1/lib -lopenbabel
>      >>      >
>      >>      > In release: The reason ChemmineOB does not compile on
>     malbec1 is
>      >>      > because it requires OpenBabel 3 but malbec1 only has
>     OpenBabel 2
>      >>     which
>      >>      > is what Ubuntu 18.04 comes with. OpenBabel 3 only became
>     available
>      >>      > starting with Ubuntu 20.04.
>      >>      >
>      >>      > To workaround this we could propagate the
>     ChemmineOB_1.28.2.tar.gz
>      >>      > source tarball produced on nebbiolo1 (Ubuntu 20.04), or,
>     if you
>      >> know
>      >>      > an easy way to get OpenBabel 3 installed on an Ubuntu 18.04
>      >> system,
>      >>      > let us know and we will do that. The best thing would be
>     to be
>      >>     able to
>      >>      > use a .deb package for this. The easiest the procedure,
>     the more
>      >>      > likely people that are still using Ubuntu 18.04 will be
>     able to
>      >>      > install ChemmineOB.
>      >>      >
>      >>      > Best,
>      >>      > H.
>      >>      >
>      >>      >
>      >>      >
>      >>      > On 3/12/21 11:10 AM, Thomas Girke wrote:
>      >>      >> Dear Hervé and Martin,
>      >>      >>
>      >>      >> It seems the above problem on the Windows builds has been
>      >> resolved
>      >>      >> for some
>      >>      >> time now. However, any updates on Linux in the release
>     branch
>      >>     are not
>      >>      >> taking effect since some/all of the Openbabel
>     dependencies are
>      >> not
>      >>      >> available on the corresponding Linux build system (here
>     Ubuntu
>      >>     18.04).
>      >>      >> However, Ubuntu 20.04 seems to be fine but may not be
>     used to
>      >>     create the
>      >>      >> source download instance at the moment? As a result, the
>     package
>      >>     is only
>      >>      >> up-to-date for Windows and OSX (ChemmineOB_1.28.2.) but
>     not Linux
>      >>      >> (still at
>      >>      >> ChemmineOB_1.28.0.tar.gz):
>      >>      >>
>      >>
>     http://bioconductor.org/packages/release/bioc/html/ChemmineOB.html
>     <http://bioconductor.org/packages/release/bioc/html/ChemmineOB.html>
>      >>    
>     <http://bioconductor.org/packages/release/bioc/html/ChemmineOB.html
>     <http://bioconductor.org/packages/release/bioc/html/ChemmineOB.html>>.
>      >>      >> To fix
>      >>      >> this, one suggestion would be whether the functional build
>      >> from the
>      >>      >> 20.04
>      >>      >> system could be pushed instead of 18.04? Not sure
>     whether this
>      >>     is less
>      >>      >> effort than installing the dependencies on 18.04 that may be
>      >>      >> discontinued
>      >>      >> soon - just a suggestion/question?
>      >>      >>
>      >>      >> On the development branch the situation is opposite
>     where the
>      >>      >> dependencies are missing on Windows and OSX but Linux is
>     fine:
>      >>      >>
>      >>
>     http://bioconductor.org/checkResults/devel/bioc-LATEST/ChemmineOB/
>     <http://bioconductor.org/checkResults/devel/bioc-LATEST/ChemmineOB/>
>      >>    
>     <http://bioconductor.org/checkResults/devel/bioc-LATEST/ChemmineOB/
>     <http://bioconductor.org/checkResults/devel/bioc-LATEST/ChemmineOB/>>.
>      >>      >>
>      >>      >> We realize that the dependencies of the ChemmineOB package
>      >>     creates extra
>      >>      >> workload for the Bioc team, and we are extremely
>     grateful for the
>      >>      >> support
>      >>      >> by the Bioc core team. Please let us know if there is
>     anything
>      >>     on our
>      >>      >> end
>      >>      >> that could be done to resolve this and/or to minimize your
>      >> workload
>      >>      >> as much
>      >>      >> as possible.
>      >>      >>
>      >>      >> Thanks,
>      >>      >>
>      >>      >> Thomas
>      >>      >>
>      >>      >> On Mon, Feb 8, 2021 at 10:02 AM Martin Morgan
>      >>     <mtmorgan.bioc using gmail.com <mailto:mtmorgan.bioc using gmail.com>
>     <mailto:mtmorgan.bioc using gmail.com <mailto:mtmorgan.bioc using gmail.com>>>
>      >>      >> wrote:
>      >>      >>
>      >>      >>> It's likely failing because your package has C source
>     code that
>      >>      >>> accesses
>      >>      >>> memory in an invalid way. Likely the bug is present on all
>      >>      >>> platforms, but
>      >>      >>> only apparent, for the tests you have written, on
>     Windows. The
>      >>     right
>      >>      >>> thing
>      >>      >>> to do is to fix the bug, rather than avoid by not
>     running on the
>      >>      >>> troublesome platform.
>      >>      >>>
>      >>      >>> Under Linux you'd likely have success with valgrind or
>     UBSAN;
>      >>     if you
>      >>      >>> were
>      >>      >>> reasonably confident that the package occurred in unit
>     tests,
>      >> and
>      >>      >>> you have
>      >>      >>> a script to run the unit tests run_tests.R then
>     something like
>      >>      >>>
>      >>      >>>    R -d valgrind -f run_tests.R
>      >>      >>>
>      >>      >>> may be productive. valgrind is slow so it pays to
>     narrow the
>      >>     problem
>      >>      >>> down
>      >>      >>> as much as possible.
>      >>      >>>
>      >>      >>> Maartin
>      >>      >>>
>      >>      >>> On 2/8/21, 12:43 PM, "Bioc-devel on behalf of Kevin
>     Horan" <
>      >>      >>> bioc-devel-bounces using r-project.org
>     <mailto:bioc-devel-bounces using r-project.org>
>      >>     <mailto:bioc-devel-bounces using r-project.org
>     <mailto:bioc-devel-bounces using r-project.org>> on behalf of
>      >> khoran using cs.ucr.edu <mailto:khoran using cs.ucr.edu>
>     <mailto:khoran using cs.ucr.edu <mailto:khoran using cs.ucr.edu>>> wrote:
>      >>      >>>
>      >>      >>>
>      >>      >>>           I have a package which randomly segfaults when
>      >>     running my
>      >>      >>> unit
>      >>      >>>      tests only on windows i386, but never on x64, or
>     any other
>      >>     OS.
>      >>      >>> I can't
>      >>      >>>      imagine there are many out there still running i386
>      >>     systems are
>      >>      >>> there?
>      >>      >>>      Is it possible to just disable the i386 build on
>      >> bioconductor
>      >>      >>> so that
>      >>      >>>      the tests are not run on that architecture?
>      >>      >>>
>      >>      >>>           I have of course done my best to debug the
>     issue, but
>      >>     all
>      >>      >>> I get
>      >>      >>> is
>      >>      >>>      an error in some nt dll file, with no useful
>     message or
>      >>      >>> location. I'm
>      >>      >>> I
>      >>      >>>      Linux guy, I don't know how to do the in-depth
>     debugging
>      >> that
>      >>      >>> would be
>      >>      >>>      required to track this bug down on windows. I tried
>      >>     disabling each
>      >>      >>> test
>      >>      >>>      one by one to see which one caused the crash, but
>     as is
>      >>     typical
>      >>      >>> with
>      >>      >>>      segfaults, changing the setup can mask the bug
>     even when
>      >> the
>      >>      >>> bad code
>      >>      >>> is
>      >>      >>>      still be executed. Each test runs fine in isolation.
>      >>      >>>
>      >>      >>>      Thanks
>      >>      >>>
>      >>      >>>      Kevin
>      >>      >>>
>      >>      >>>      _______________________________________________
>      >>      >>> Bioc-devel using r-project.org
>     <mailto:Bioc-devel using r-project.org> <mailto:Bioc-devel using r-project.org
>     <mailto:Bioc-devel using r-project.org>>
>      >>     mailing list
>      >>      >>> https://stat.ethz.ch/mailman/listinfo/bioc-devel
>     <https://stat.ethz.ch/mailman/listinfo/bioc-devel>
>      >>     <https://stat.ethz.ch/mailman/listinfo/bioc-devel
>     <https://stat.ethz.ch/mailman/listinfo/bioc-devel>>
>      >>      >>> _______________________________________________
>      >>      >>> Bioc-devel using r-project.org
>     <mailto:Bioc-devel using r-project.org> <mailto:Bioc-devel using r-project.org
>     <mailto:Bioc-devel using r-project.org>>
>      >>     mailing list
>      >>      >>> https://stat.ethz.ch/mailman/listinfo/bioc-devel
>     <https://stat.ethz.ch/mailman/listinfo/bioc-devel>
>      >>     <https://stat.ethz.ch/mailman/listinfo/bioc-devel
>     <https://stat.ethz.ch/mailman/listinfo/bioc-devel>>
>      >>      >>>
>      >>      >>
>      >>      >>
>      >>      >
>      >>
>      >>
>      >>
>      >> --
>      >> Thomas Girke, Ph.D.
>      >> Professor of Bioinformatics
>      >> 1207F Genomics Building
>      >> University of California
>      >> Riverside, CA 92521
>      >>
>      >> E-mail: thomas.girke using ucr.edu <mailto:thomas.girke using ucr.edu>
>     <mailto:thomas.girke using ucr.edu <mailto:thomas.girke using ucr.edu>>
>      >> URL: https://girke.bioinformatics.ucr.edu
>     <https://girke.bioinformatics.ucr.edu>
>      >> <https://girke.bioinformatics.ucr.edu
>     <https://girke.bioinformatics.ucr.edu>>
>      >> Phone/Cell/Text: 951-732-7072
>      >> Fax: 951-827-4437
>      >
> 
>     -- 
>     Hervé Pagès
> 
>     Bioconductor Core Team
>     hpages.on.github using gmail.com <mailto:hpages.on.github using gmail.com>
> 
> 
> 
> -- 
> Thomas Girke, Ph.D.
> Professor of Bioinformatics
> 1207F Genomics Building
> University of California
> Riverside, CA 92521
> 
> E-mail: thomas.girke using ucr.edu <mailto:thomas.girke using ucr.edu>
> URL: https://girke.bioinformatics.ucr.edu 
> <https://girke.bioinformatics.ucr.edu>
> Phone/Cell/Text: 951-732-7072
> Fax: 951-827-4437

-- 
Hervé Pagès

Bioconductor Core Team
hpages.on.github using gmail.com



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