Re: [easybuild] Newbie question: Generic easyblock to use for VASP

2016-06-02 Thread Peretti-Pezzi Guilherme
h>, Marsella Luca <marse...@cscs.ch>, "petar.fo...@imp.ac.at" <petar.fo...@imp.ac.at> Subject: Re: [easybuild] Newbie question: Generic easyblock to use for VASP >Hi Andy, > >On 01/06/16 14:39, Andy Turner wrote: >> >> Just thought I should let you kn

Re: [easybuild] Newbie question: Generic easyblock to use for VASP

2016-06-01 Thread Kenneth Hoste
Hi Andy, On 01/06/16 14:39, Andy Turner wrote: Just thought I should let you know that this is now working, the final combination of options needed was: patches = [('makefile.include.crayxc_intel', '.')] prebuildopts = 'cp makefile.include.crayxc_intel makefile.include && ' Thanks for all

Re: [easybuild] Newbie question: Generic easyblock to use for VASP

2016-06-01 Thread Andy Turner
Hi Kenneth On 01/06/2016 10:47, Kenneth Hoste wrote: OK, sorry, I have to admit I didn't actually try my suggestion myself... The problem is that the target you're specifying must be an existing directory currently, i.e. the file being copied can't be renamed on copy. I need to think about

Re: [easybuild] Newbie question: Generic easyblock to use for VASP

2016-06-01 Thread Andy Turner
Hi Kenneth, On 31/05/2016 17:58, Kenneth Hoste wrote: Hi Andy, On 31/05/16 18:18, Andy Turner wrote: Kenneth, Jens, On 31/05/2016 16:52, Jens Timmerman wrote: Hi Andy, On 05/31/2016 05:38 PM, Andy Turner wrote: This could be achieved by putting it online, and this is what we already do:

Re: [easybuild] Newbie question: Generic easyblock to use for VASP

2016-05-31 Thread Kenneth Hoste
Hi Andy, On 31/05/16 18:18, Andy Turner wrote: Kenneth, Jens, On 31/05/2016 16:52, Jens Timmerman wrote: Hi Andy, On 05/31/2016 05:38 PM, Andy Turner wrote: This could be achieved by putting it online, and this is what we already do:

Re: [easybuild] Newbie question: Generic easyblock to use for VASP

2016-05-31 Thread Andy Turner
Kenneth, Jens, On 31/05/2016 16:52, Jens Timmerman wrote: Hi Andy, On 05/31/2016 05:38 PM, Andy Turner wrote: This could be achieved by putting it online, and this is what we already do: http://www.archer.ac.uk/documentation/software/vasp/compiling_5-4-1-phase2.php However, if I can

Re: [easybuild] Newbie question: Generic easyblock to use for VASP

2016-05-31 Thread Kenneth Hoste
Hi Andy, On 31/05/16 17:07, Andy Turner wrote: Hi Kenneth, On 31/05/2016 15:54, Kenneth Hoste wrote: Hi Andy, On 31/05/16 16:43, Andy Turner wrote: Hi All, This is probably a silly question but I could not determine the answer from reading the docs or by examining the easyblock files

Re: [easybuild] Newbie question: Generic easyblock to use for VASP

2016-05-31 Thread Kenneth Hoste
Hi Andy, On 31/05/16 16:43, Andy Turner wrote: Hi All, This is probably a silly question but I could not determine the answer from reading the docs or by examining the easyblock files themselves. I want to write an easyblock for building VASP and am not sure which generic block to start

[easybuild] Newbie question: Generic easyblock to use for VASP

2016-05-31 Thread Andy Turner
Hi All, This is probably a silly question but I could not determine the answer from reading the docs or by examining the easyblock files themselves. I want to write an easyblock for building VASP and am not sure which generic block to start from (or even if I need to add a new one). The