[ase-users] ASE with easybuild

[Jakob Schiøtz]

Hi,

This has been mentioned on the EasyBuild mailing list, there is already a pull request for a version of the ASE easybuild file doing it right (I was making one, too, but it seems to be the same solution).

ASE will be installed with flask and four or five other modules as a “bundle”.  Then everything will be downloaded during the download phase and not during the installation phase.

An alternative would of course be to patch the setup.py file to remove the flask dependency, but that seems more fragile.

I am also considering adding sphinx and the sphinx theme to the easybuild file, to facilitate working on the documentation.  Do you think that is a good idea?

Jakob


> On 6 Nov 2018, at 10:05, Jens Jørgen Mortensen via ase-users <ase-users at listserv.fysik.dtu.dk> wrote:
> 
> 
> On 11/5/18 4:34 PM, Ask Hjorth Larsen via ase-users wrote:
>> Hi,
>> 
>> Joaquim (CC) reports that it is bothersome to install ASE with
>> easybuild on a computer which does not have a full internet
>> connection.  Something about the 'flask' requirement.
>> 
>> Flask is not a dependency of ASE [1], so this is surprising.  Same
>> goes for Werkzeug, ItsDangerous and perhaps a few other things.
>> 
>> Does anyone know what those libraries do and how to complete the
>> installation without them?
> 
> 
> Flask is for browsing an ASE database using a web-browser:
> 
> 
> https://wiki.fysik.dtu.dk/ase/ase/db/db.html#browse-database-with-your-web-browser
> 
> 
> Jens Jørgen (not an easybuild expert)
> 
> 
>> Best regards
>> Ask
>> 
>> [1] https://wiki.fysik.dtu.dk/ase/install.html
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--
Jakob Schiøtz, professor, Ph.D.
Department of Physics
Technical University of Denmark
DK-2800 Kongens Lyngby, Denmark
http://www.fysik.dtu.dk/~schiotz/