Re: [easybuild] singularity

2016-08-17 Thread Kenneth Hoste
On 16/08/16 17:15, Heywood, Todd wrote: Ah, but there is already a Singularity easyconfig :-). Do “eb –S”. I sort of agree with you though. It *is* useful to have Singularity only in userland... From the FAQ: " Do you need administrator privileges to use Singularity? You do not need admin

[easybuild] COMSOL, Feko, ..

2016-08-17 Thread nanava
Hi, I can not find easyconfig&easyblocks 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. Than

Re: [easybuild] COMSOL, Feko, ..

2016-08-17 Thread Joachim Hein
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&easyblocks of the following packages: COMSOL, > Feko, Gaussian,

Re: [easybuild] COMSOL, Feko, ..

2016-08-17 Thread Pablo Escobar Lopez
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-e

Re: [easybuild] next EasyBuild conf call: Wed Aug 17th 2016, 5pm CET

2016-08-17 Thread Kenneth Hoste
notes are available at https://github.com/hpcugent/easybuild/wiki/Conference-call-notes-20160817 On 16/08/16 16:10, Kenneth Hoste wrote: Dear EasyBuilders, The next EasyBuild conf call is planned for tomorrow, Wed Aug 17th 2016, 5pm CET. See also https://plus.google.com/events