Commit fdd95164 authored by Easy Build's avatar Easy Build

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

parent 7c336023
# !!! --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'
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment