[ase-users] ASE with easybuild

[Ask Hjorth Larsen]

Hi,

Am Do., 8. Nov. 2018 um 20:54 Uhr schrieb Jakob Schiøtz <
schiotz at fysik.dtu.dk>:

> 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?
>

Hmmm.  I am not a good judge of easybuild stuff, but is it not a little bit
too specialized?  The docs dependencies are not so difficult to install
that we need a to include them in the standard distribution packages.
Although one could well provide an alternative package called ase-dev which
goes the full Monty.

Best regards
Ask


>
>
> 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
> >> _______________________________________________
> >> ase-users mailing list
> >> ase-users at listserv.fysik.dtu.dk
> >> https://listserv.fysik.dtu.dk/mailman/listinfo/ase-users
> > _______________________________________________
> > ase-users mailing list
> > ase-users at listserv.fysik.dtu.dk
> > https://listserv.fysik.dtu.dk/mailman/listinfo/ase-users
>
> --
> Jakob Schiøtz, professor, Ph.D.
> Department of Physics
> Technical University of Denmark
> DK-2800 Kongens Lyngby, Denmark
> http://www.fysik.dtu.dk/~schiotz/
>
>
>
>
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