Source: cif2cell
Section: science
Priority: optional
Maintainer: Synge Todo <wistaria@phys.s.u-tokyo.ac.jp>
Build-Depends: debhelper (>= 9), dh-python, python3-all-dev, python3-setuptools, python3-pycifrw
Standards-Version: 3.9.3
Homepage: https://github.com/torbjornbjorkman/cif2cell

Package: cif2cell
Architecture: any
Depends: ${misc:Depends}, ${shlibs:Depends}, ${python:Depends}, python3-pycifrw
Description: CIF2Cell - Generating cells for electronic structure calculations from CIF files
 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.
