# IT4Innovations 2018

easyblock = 'PythonPackage'

name = 'sqsgenerator'
version = '20180823'
versionsuffix = '-v2'

homepage = 'https://github.com/dnoeger/sqsgenerator'
description = """This package is a Special Quasirandom Structure generator written in Python3/Cython.
Please note that the programm currently only works with Python 3."""

toolchain = {'name': 'Py', 'version': '3.6'}

source_urls = ['https://github.com/dnoeger/sqsgenerator/archive/']
sources = ['master.zip']

patches = ['sqsgenerator-20180823-Py-3.6.patch']

dependencies = [
    ('Cython', '0.27.3'),
    ('pymatgen', '2018.1.29'),
    ('GMP', '6.1.2', '', True),
]

sanity_check_paths = {
    'files': [
        'bin/chardetect',
        'bin/cygdb',
        'bin/cython',
        'bin/cythonize',
        'bin/f2py',
        'bin/feff_input_generation',
        'bin/feff_plot_cross_section',
        'bin/feff_plot_dos',
        'bin/gaussian_analyzer',
        'bin/get_environment',
        'bin/isympy',
        'bin/pmg',
        'bin/pydii',
        'bin/sqsgenerator',
        'bin/tabulate'],
    'dirs': [
        'bin',
        'lib']}

moduleclass = 'lang'