# IT4Innovations 2018

easyblock = "PythonPackage"
name = 'pymatgen'
version = '2018.1.29'

homepage = 'https://pypi.python.org/pypi/pymatgen'
description = """Python Materials Genomics is a robust materials analysis code
 that defines core object representations for structures and molecules with
 support for many electronic structure codes. It is currently the core analysis
 code powering the Materials Project (https://www.materialsproject.org)."""

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

source_urls = [PYPI_SOURCE]
sources = [SOURCE_TAR_GZ]

dependencies = [
    ('numpy', '1.13.3'),
    ('scipy', '1.0.0'),
    ('six', '1.11.0'),
    ('matplotlib', '2.1.1'),
    ('spglib-python', '1.10.2.4'),
    ('ASE', '3.15.0'),
    ('requests', '2.18.4'),
    ('ruamel.yaml', '0.15.35'),
    ('monty', '1.0.2'),
    ('sympy', '1.1.1'),
    ('pandas', '0.22.0'),
    ('pybtex', '0.21'),
    ('palettable', '3.1.0'),
    ('tabulate', '0.8.2'),
    ('PyDispatcher', '2.0.5'),
]

sanity_check_paths = {'files': [], 'dirs': [
    'lib/python3.6/site-packages/%(name)s-%(version)s-py3.6-linux-x86_64.egg'], }

moduleclass = 'python'
