##
# This file is an EasyBuild reciPY as per https://github.com/hpcugent/easybuild
#
# Copyright:: Copyright 2012-2016 University of Luxembourg / LCSB, Cyprus Institute / CaSToRC,
#                                 Ghent University / The Francis Crick Institute
# Authors::
# * Wiktor Jurkowski <wiktor.jurkowski@gmail.com>
# * Fotis Georgatos <fotis@cern.ch>
# * George Tsouloupas <g.tsouloupas@cyi.ac.cy>
# * Kenneth Hoste <kenneth.hoste@ugent.be>
# * Adam Huffman <adam.huffman@crick.ac.uk>
# License::   MIT/GPL
##

name = 'GROMACS'
version = '2016.1'
versionsuffix = '-PLUMED'

homepage = 'http://www.gromacs.org'
description = """
GROMACS is a versatile package to perform molecular dynamics,
 i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.

This is CPU only build, containing both MPI and threadMPI builds.
"""

toolchain = {'name': 'foss', 'version': '2017a'}
toolchainopts = {'openmp': True, 'usempi': True}

source_urls = ['ftp://ftp.gromacs.org/pub/gromacs/']
sources = [SOURCELOWER_TAR_GZ]

builddependencies = [
    ('CMake', '3.7.2'),
]

dependencies = [
    ('PLUMED', '2.3.0'),
]

moduleclass = 'bio'
