# IT4Innovations
# LK 2022

easyblock = 'PythonPackage'

name = 'sqsgenerator'
version = '0.0.5'
versionsuffix = '-Python-3.8.6'

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': 'GCC', 'version': '10.2.0'}
toolchainopts = {'pic': True}

source_urls = ['https://github.com/dgehringer/sqsgenerator/archive/refs/tags/']
sources = ['v%(version)s.tar.gz']

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

builddependencies = [
    ('CMake', '3.18.4'),
]

dependencies = [
    ('Python', '3.8.6'),
    ('GMP', '6.2.0'),
    ('Boost', '1.77.0', '-Python-3.8.6'),
]

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'