[Wien] Xcrygen compilation
Laurence Marks
L-marks at northwestern.edu
Wed Jul 16 18:34:20 UTC 2014
While I can probably fight my way around installing easyblocks, it would be
useful for the general user if a bit more information was provided (by you
or your local HPC team). For instance, I suspect it is something like:
* Download the easyblocks module from
http://hpcugent.github.com/easybuild (what
else is needed ?)
* cd to the directory (unzip ?) and do "python setup.py install'' (is root
access needed ?)
* Download the script xcrysden (to xcrysden directory ?)
* do "python xcrysden.py"
N.B., I am probably missing some steps such as setting CC and other
environmental variables.including destination.
On Wed, Jul 16, 2014 at 12:48 PM, Michael Sluydts <michael.sluydts at ugent.be>
wrote:
> Our local HPC team has been developing a framework called easybuild to
> quickly recompile various software. They save the configuration in python
> files called easyblocks. There is one for xcrysden. I'm however not sure if
> there were any remaining issues (and testing it again/making a new compile
> has been on my to do list).
>
> The easyblock can be found here:
>
>
> https://github.com/hpcugent/easybuild-easyblocks/blob/master/easybuild/easyblocks/x/xcrysden.py
>
> Laurence Marks schreef op 16/07/2014 19:41:
>
> Has anyone worked through a .configure (or similar) script for Xcrygen.
> The shared & semishared versions on the web page are not that compatible
> with recent systems, and I hate (am too lazy) to start editing makefiles by
> hand.
>
> --
> Professor Laurence Marks
> Department of Materials Science and Engineering
> Northwestern University
> www.numis.northwestern.edu 1-847-491-3996
> Co-Editor, Acta Cryst A
> "Research is to see what everybody else has seen, and to think what nobody
> else has thought"
> Albert Szent-Gyorgi
>
>
> _______________________________________________
> Wien mailing listWien at zeus.theochem.tuwien.ac.athttp://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>
>
>
--
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20140716/9b9b802a/attachment.htm>
More information about the Wien
mailing list