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31 lines
1.0 KiB
Plaintext
31 lines
1.0 KiB
Plaintext
# IT4Innovations 2019
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easyblock = "PythonPackage"
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name = 'CIF2Cell'
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version = '2.0.0a1'
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homepage = 'https://sourceforge.net/projects/cif2cell/'
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description = """CIF2Cell is a tool to generate the geometrical setup for various
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electronic structure codes from a CIF (Crystallographic Information Framework) file.
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The program currently supports output for a number of popular electronic structure
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programs, including ABINIT, ASE, CASTEP, CP2K, CPMD, CRYSTAL09, Elk, EMTO, Exciting,
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Fleur, FHI-aims, Hutsepot, MOPAC, Quantum Espresso, RSPt, Siesta, SPR-KKR, VASP.
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Also exports some related formats like .coo, .cfg and .xyz-files. The program has
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been published in Computer Physics Communications 182 (2011) 1183–1186. Please cite generously."""
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toolchain = {'name': 'Py', 'version': '3.6'}
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source_urls = [PYPI_SOURCE]
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sources = ['cif2cell-%(version)s.tar.gz']
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dependencies = [
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('six', '1.12.0'),
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]
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sanity_check_paths = {
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'files': ['lib/python3.6/site-packages/cif2cell-%(version)s-py3.6.egg'],
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'dirs': [''],
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}
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moduleclass = 'python'
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