Re: [easybuild] COMSOL, Feko, ..
here you have the one I use for Schrodinger https://github.com/hpcugent/easybuild-easyconfigs/pull/762 I suggest you to look for in the list of open pull requests. Maybe you can find some working or semi-working easyconfigs there which hasn't been merged yet https://github.com/hpcugent/easybuild-easyconfigs/pulls regards, Pablo. 2016-08-17 16:47 GMT+02:00 nan...@luis.uni-hannover.de < nan...@luis.uni-hannover.de>: > > Hi, > > I can not find easyconfig of the following packages: COMSOL, > Feko, Gaussian, Amber(ambermd.org), > > Crystal ( https://www.crystalsolutions.eu), STAR-CCM+ ( > http://www.cd-adapco.com) and Schroedinger ( https://www.schrodinger.com). > > Could you please share them if you have any. > > Thank you. > > Gizo > > > -- Pablo Escobar López HPC systems engineer sciCORE, University of Basel SIB Swiss Institute of Bioinformatics http://scicore.unibas.ch
Re: [easybuild] COMSOL, Feko, ..
Hi, EB 2.8.2 has Amber 14 support. Though I haven’t tried this, so far we build Amber outside EB. Best wishes Joachim > On 17 Aug 2016, at 16:47, nan...@luis.uni-hannover.de wrote: > > > Hi, > > I can not find easyconfig of the following packages: COMSOL, > Feko, Gaussian, Amber(ambermd.org), > > Crystal ( https://www.crystalsolutions.eu), STAR-CCM+ > (http://www.cd-adapco.com) and Schroedinger ( https://www.schrodinger.com). > > Could you please share them if you have any. > > Thank you. > > Gizo > >
