# !!! --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 local_computer program implementation, to perform efficient electronic
 structure calculations and ab initio molecular dynamics simulations of molecules and solids. This version si local_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'
