easyblock = 'ConfigureMake'

name = 'AmberTools'
version = '16'

homepage = 'http://ambermd.org/amber.html'
description = """Amber (originally Assisted Model Building with Energy
 Refinement) is software for performing molecular dynamics and structure
 prediction."""

toolchain = {'name': 'intel', 'version': '2015b'}
toolchainopts = {'openmp': False, 'usempi': True}

local_ambertools_ver = '16'
sources = [
    #    'Amber%(version)s.tar.bz2',
    'AmberTools%s.tar.bz2' % local_ambertools_ver,
]
patches = [
    #    'Amber-%(version)s_fix-hardcoding.patch',
    'AmberTools-%s_fix-mdgx-print-bug.patch' % local_ambertools_ver,
]

dependencies = [
    #   ('CUDA', '7.5.18', '', True),
    #   ('netCDF', '4.4.0'),
    #   ('netCDF-Fortran', '4.4.4'),
    ('Python', '2.7.11'),
]

local_patchlevels = (13, 13)
local_patchruns = 1

versionsuffix = '-AmberTools-%s-patchlevel-%d-%d' % (
    local_ambertools_ver, local_patchlevels[0], local_patchlevels[1])

moduleclass = 'chem'
