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43 lines
1.3 KiB
Plaintext
43 lines
1.3 KiB
Plaintext
##
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# This file is an EasyBuild reciPY as per https://github.com/hpcugent/easybuild
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#
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# Copyright:: Copyright 2012-2013 University of Luxembourg / LCSB, Cyprus Institute / CaSToRC, Ghent University
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# Authors:: Wiktor Jurkowski <wiktor.jurkowski@uni.lu>, Fotis Georgatos <fotis.georgatos@uni.lu>, \
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# George Tsouloupas <g.tsouloupas@cyi.ac.cy>, Kenneth Hoste
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# License:: MIT/GPL
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# $Id$
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#
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# This work implements a part of the HPCBIOS project and is a local_component of the policy:
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# http://hpcbios.readthedocs.org/en/latest/HPCBIOS_2012-93.html
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##
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name = 'GROMACS'
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version = '5.1.2'
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versionsuffix = '-mt'
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homepage = 'http://www.gromacs.org'
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description = """GROMACS is a versatile package to perform molecular dynamics,
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i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles."""
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toolchain = {'name': 'goolf', 'version': '1.7.20'}
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toolchainopts = {'openmp': True, 'usempi': False}
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source_urls = [
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'ftp://ftp.gromacs.org/pub/gromacs/',
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'http://gerrit.gromacs.org/download/',
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]
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sources = [
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SOURCELOWER_TAR_GZ,
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# seems to have disappeared?
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# 'regressiontests-5.0.2.tar.gz',
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]
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builddependencies = [
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('CMake', '2.8.12'),
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('libxml2', '2.9.3')
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]
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dependencies = [('Boost', '1.53.0')]
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moduleclass = 'bio'
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