# IT4Innovations 2019

easyblock = "PythonPackage"
name = 'CIF2Cell'
version = '2.0.0a1'

homepage = 'https://sourceforge.net/projects/cif2cell/'
description = """CIF2Cell is a tool to generate the geometrical setup for various 
electronic structure codes from a CIF (Crystallographic Information Framework) file. 
The program currently supports output for a number of popular electronic structure 
programs, including ABINIT, ASE, CASTEP, CP2K, CPMD, CRYSTAL09, Elk, EMTO, Exciting, 
Fleur, FHI-aims, Hutsepot, MOPAC, Quantum Espresso, RSPt, Siesta, SPR-KKR, VASP. 
Also exports some related formats like .coo, .cfg and .xyz-files. The program has 
been published in Computer Physics Communications 182 (2011) 1183–1186. Please cite generously."""

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

source_urls = [PYPI_SOURCE]
sources = ['cif2cell-%(version)s.tar.gz']

dependencies = [
   ('six', '1.12.0'),
]

sanity_check_paths = {
    'files': ['lib/python3.6/site-packages/cif2cell-%(version)s-py3.6.egg'], 
    'dirs': [''], 
}

moduleclass = 'python'