[Q-e-developers] [Fwd: Re: cross compilation Linux to Windows for QE]

[Filippo Spiga]

Such functionalities coupled with a Continuous Integration Server will be really awesome!

F

On Nov 4, 2013, at 2:17 PM, Paolo Giannozzi <paolo.giannozzi at uniud.it> wrote:

> Interesting message from Axel. Any comments?
> 
> P.
> -- 
> Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222 
> 
> From: Axel Kohlmeyer <akohlmey at gmail.com>
> Subject: Re: cross compilation Linux to Windows for QE
> Date: November 4, 2013 10:17:41 AM GMT
> To: Paolo Giannozzi <paolo.giannozzi at uniud.it>
> 
> 
> hi paolo,
> 
> On Mon, Nov 4, 2013 at 10:29 AM, Paolo Giannozzi
> <paolo.giannozzi at uniud.it> wrote:
>> Hi Axel
>> 
>> thank you
>> 
>>> p.s.: how much of a "market" do you think there would be for a
>>> ready-to-use windows installer package for QE (serial and parallel w/
>>> MPI)?
>> 
>> I think there is a market. If you look into the Road Map
>> page of QE: http://www.quantum-espresso.org/road-map
>> you will notice, under "Things you can do to help QE""
>> 
>> Improve packaging
>> 
>> * help with existing Debian packages (available in DebiChem)
>> * produce binary packages in other formats: RPM, Mac OS-X, Windows
>> (bleah!) executables
>> 
>> I am ready to remove the "(bleah!)" if this helps a Windows
>> executable to materialize!
> 
> i don't mind producing windows binaries, for as long as i don't have
> to use windows to build them. i'm doing this for LAMMPS now for quite
> a while and have streamlined the process substantially. the amount of
> problems and complaints from windows users has dropped almost to zero
> and those windows packages are a relief for every tutorial, since
> people can use their own machines. the one LAMMPS developer that is a
> devoted windows user even confirmed that my cross compiled binaries
> work better and much faster than his "native" compilations (based on
> cygwin). i can even throw in OpenMP support for good measure (may have
> to have a look at OpenBLAS for that...).
> 
> there is one question, though: what would be the naming conventions
> for the windows executable? i.e. would you prefer: pw.exe, pw.x.exe,
> or qe-pw.exe or something else? pw.x.exe is probably the least
> disruptive, but i don't know (yet) if this can be made to work.
> 
> rpms is also not a big deal. i've been doing this alongside the
> windows builds since late spring as well. i have a box in philly that
> has 12 virtual machines with build environments for fedora 17/18/19,
> centos 6.x, opensuse 12.3 and windows cross-compilation. each for
> 32-bit and 64-bit and then a small little webserver that hosts those
> binaries. takes only a few mins to initiate a new build currently, but
> will be automated at some time.
> 
> check out:
> http://git.icms.temple.edu/rpm/windows.html
> and:
> http://git.icms.temple.edu/rpm/index.html
> 
> following the same strategy would be straightforward to adopt for QE.
> exotic compile time features would be left out and optional packages
> could be packages as add-on rpms packages.
> 
> just let me know or tell others to let me know what the preferred
> approach would be. QE builds would be considerably less of an effort,
> since the releases are - unlike with LAMMPS - infrequent. however,
> those semi-automatic builds have helped a lot to identify build and
> programming issues ahead of everybody else.
> 
> thanks,
>     axel.
> 
>> 
>> P.
>> --
>> Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
>> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>> Phone +39-0432-558216, fax +39-0432-558222
>> 
> 
> 
> 
> -- 
> Dr. Axel Kohlmeyer  akohlmey at gmail.com  http://goo.gl/1wk0
> International Centre for Theoretical Physics, Trieste. Italy.
> 
> 
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--
Mr. Filippo SPIGA, M.Sc.
http://www.linkedin.com/in/filippospiga ~ skype: filippo.spiga

«Nobody will drive us out of Cantor's paradise.» ~ David Hilbert

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