mailRe: Scientific software "relax" at cloud.sagemath.com ?


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Posted by Edward d'Auvergne on November 24, 2015 - 11:06:
On 24 November 2015 at 10:25, Troels Emtekær Linnet
<tlinnet@xxxxxxxxxxxxx> wrote:
Hi Edward.

You are probably right.

What you refer to is the latest wiki page I am "playing with".
http://wiki.nmr-relax.com/Install_relax_cloud.sagemath.com#Checkout_relax_and_build

Here I have a "free" account, and William Stein has for free granted me
"Network" access to a
test project. This is so I can use the internet to checkout relax with
subversion.

I can install relax on the cloud.sagemath.com.

And the systemtests are now running in the terminal.

So, it seems that this is an easy possible way to run relax in the terminal.

It simply works.

But it seems that you try to hit "the big nail", and I only try to figure
out if there is some way to let users do some initial analysis.

I still find it interesting to allow for an online possibility, like
http://sherekhan.bionmr.org/

With a decent tutorial, a researcher can get relax running an analysis fast.
Just to get convinced to do a proper install at home or at a cluster.

Hi,

I have talked to Martin Kollmar at the MPI in Göttingen
(https://www.uni-goettingen.de/en/57995.html), as it is his group who
implemented the Sherekhan web interface.  And it runs on their backend
hardware.  Bjoern Hammesfahr is the key person for this
(http://sherekhan.bionmr.org/app/team).  We used to often have lunch
together in the MPI canteen.  I had many, many discussions about a
relax web UI.  In the end it was decided that it currently was not
worth the effort, no one had the required time or money/salary to
implement it, that better backend number-crunching hardware was
required, and that the cost vs. effort was too high (for now at
least).  Note that for the proprietary Sherekhan and the other web
software from the Kollmar group (http://www.diark.org/diark,
http://www.cymobase.org/cymobase, http://www.webscipio.org/, some of
which is open source), that they often use Ruby on Rails or Ajax (and
Django, I think).  Using Web 2.0 technologies, this allows them to
have full flexibility to expand their web UI as needed and they are
not constrained by one piece of technology.

One problem with technologies such as Jupyter is that they have a high
bus factor.  This seriously worries me as we currently have this
problem with the GUI.  The wxPython technology (http://wxpython.org/)
behind the GUI is old and stuck on Python 2.  Python 3 support is
supposedly coming with their pheonix project
(http://wiki.wxpython.org/ProjectPhoenix), but that has been in slow
development for many years now and I'm worried when, or even if ever,
it will be released.  So I'd prefer to avoid such problems with a web
UI.  For a relax web UI, I was at times dreaming of web 2.0 ideas such
as a full web operating system:

    https://www.youtube.com/watch?v=XYiP7Q5lYUc

But dedicated to relax.  This might be a bit much, but some of the
technology could be useful for handling the automatic creation of the
user functions from the definitions in user_functions/ into a web UI.

Regards,

Edward



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