# !!! --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'
