Re: [Wien] Xcrygen compilation

2014-07-17 Thread Michael Sluydts
Well in the meanwhile I finished my compilation (the binaries may be a slightly more user and time-friendly route). My conclusions: It seems that Tcl/Tk 8.6 they removed the result method from 'Tcl_Interp' which gets accessed quite a lot and makes it fail. The readme says it supports tcl =

Re: [Wien] Xcrygen compilation

2014-07-17 Thread Oliver Albertini
Actually, you can use Tcl/Tk 8.6, but have to include a CFLAG: -DUSE_INTERP_RESULT See this: http://www.democritos.it/pipermail/xcrysden/2013-November/001510.html Sincerely, Oliver Albertini On Thu, Jul 17, 2014 at 10:08 AM, Michael Sluydts michael.sluy...@ugent.be wrote: Well in the

[Wien] Xcrygen compilation

2014-07-16 Thread Laurence Marks
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

Re: [Wien] Xcrygen compilation

2014-07-16 Thread Michael Sluydts
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

Re: [Wien] Xcrygen compilation

2014-07-16 Thread Laurence Marks
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

Re: [Wien] Xcrygen compilation

2014-07-16 Thread Michael Sluydts
Yeah, it takes some getting used to (and may take too much time if only used for xcrysden). I've only used it a few times myself, it does work nicely for wien2k (with some tweaks of the public easyblock for 13). Practically you first need to install easybuild itself, which has an eb command

Re: [Wien] Xcrygen compilation

2014-07-16 Thread Gavin Abo
Can you tell us what kind of systems this happens on and what the errors are? The information might be helpful to others. I had xcrysden-1.5.53-linux_x86_64-semishared.tar.gz installed on a ubuntu 64 bit 14.04 LTS system. I just downloaded xcrysden-1.5.60-linux_x86_64-semishared.tar.gz from

Re: [Wien] Xcrygen compilation

2014-07-16 Thread Gavin Abo
Correction: xcConfigure.sh should be in the scripts folder not the bin folder. On 7/16/2014 4:04 PM, Gavin Abo wrote: Can you tell us what kind of systems this happens on and what the errors are? The information might be helpful to others. I had