Hi folks,
I'm trying to get my head around Easybuild in advance of a new system
as our current build scripts don't really scale, and I'm struggling
with some of its architecture.
It looks like there are a vast number of toolchains of which we are
really only interested in 2, Intel with OpenMPI and GCC with OpenMPI.
However, for something as mainstream as GROMACS there doesn't appear to
be a way to build a modern version with the Intel and OpenMPI chain.
The simplest solution I can find is to modify the Intel toolchain
definition thus (and so avoid duplication billions of config files
unnecessarily):
[samuel@qan02 intel]$ diff -iubw intel-2015a.eb.orig intel-2015a.eb
--- intel-2015a.eb.orig 2015-05-25 15:25:49.186890691 +1000
+++ intel-2015a.eb 2015-05-25 16:24:24.519053787 +1000
@@ -14,7 +14,7 @@
dependencies = [
('icc', compver, gccsuff),
('ifort', compver, gccsuff),
- ('impi', '5.0.2.044', '', ('iccifort', '%s%s' % (compver, gccsuff))),
+ ('OpenMPI', '1.8.4', '', ('iccifort', '%s%s' % (compver, gccsuff))),
('imkl', '11.2.1.133', '', ('iimpi', '7.2.3%s' % gccsuff)),
]
The other thing I'm puzzled about is how do we make it more
relaxed about version numbers of packages. For instance it'd
be really nice for it to not care whether it's 1.8.4 (which is
older) or 1.8.5 (which is current but not yet present) or 1.8.6
(which will be out soon).
Similarly for GCC, if there is a GCC 4.7.x already installed and
a package wants a slightly older version of 4.7 it would be nice
if it didn't try and rebuild an entire toolchain because that
precise version isn't there.
Am I on the right track with all this?
All the best,
Chris
--
Christopher Samuel Senior Systems Administrator
VLSCI - Victorian Life Sciences Computation Initiative
Email: [email protected] Phone: +61 (0)3 903 55545
http://www.vlsci.org.au/ http://twitter.com/vlsci
