easyblock = 'CMakeMake'

name = 'OpenMD'
version = '2.2'

homepage = 'http://openmd.org'
description = """
OpenMD is an open source molecular dynamics engine which is capable of efficiently simulating liquids, proteins,
nanoparticles, interfaces, and other complex systems using atom types with orientational degrees of freedom.
"""

toolchain = {'name': 'ictce', 'version': '7.1.2'}
toolchainopts = {'usempi': True, 'optarch': True}

sources = [SOURCELOWER_TAR_GZ]
source_urls = ['http://openmd.org/releases']

builddependencies = [('CMake', '2.8.12')]

dependencies = [
    ('Python', '2.7.8'),
    ('Perl', '5.20.0'),
    ('Doxygen', '1.8.8'),
    ('Eigen', '3.2.2'),
    ('OpenBabel', '2.3.2', '-Python-2.7.8'),
    ('Qhull', '2012.1'),
    ('FFTW', '3.3.4'),
    ('zlib', '1.2.8'),
]

sanity_check_paths = {
    'files': ['bin/openmd', 'lib/libopenmd_core.a'],
    'dirs': [],
}

moduleclass = 'chem'
