new file: s/Siesta/Siesta-4.1-b2-intel-2017a.eb

This commit is contained in:
Easy Build 2017-06-06 12:04:25 +02:00
parent 7c336023dc
commit fdd951648a

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# !!! --include-easyblocks /apps/easybuild/python/easybuild/easyblocks/s/siesta.py !!!
easyblock = 'siesta'
name = 'Siesta'
version = '4.1-b2'
homepage = 'http://departments.icmab.es/leem/siesta'
description = """SIESTA is both a method and its computer program implementation, to perform efficient electronic
structure calculations and ab initio molecular dynamics simulations of molecules and solids. This version si compiled
with OpenMP and MPI support."""
toolchain = {'name': 'intel', 'version': '2017a'}
toolchainopts = {'usempi': True, 'openmp': True}
sources = [SOURCELOWER_TAR_GZ]
vl = version.split('-')
source_urls = ['https://launchpad.net/siesta/%s/%%(version)s/+download' % vl[0]]
checksums = ['6dd700aa79b0da39bbd3233c220d630f']
dependencies = [('netCDF-Fortran', '4.4.4')]
moduleclass = 'phys'