nixpkgs/pkgs/development/python-modules/atsim_potentials/default.nix

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{ stdenv
, buildPythonPackage
, fetchPypi
, pytest
, future
}:
buildPythonPackage rec {
version = "0.2.1";
pname = "atsim.potentials";
src = fetchPypi {
inherit pname version;
sha256 = "2abdec2fb4e8198f4e0e41634ad86625d5356a4a3f1ba1f41568d0697df8f36f";
};
checkInputs = [ pytest ];
propagatedBuildInputs = [ future ];
# tests are not included with release
doCheck = false;
checkPhase = ''
py.test
'';
meta = with stdenv.lib; {
homepage = "https://bitbucket.org/mjdr/atsim_potentials";
description = "Provides tools for working with pair and embedded atom method potential models including tabulation routines for DL_POLY and LAMMPS";
license = licenses.mit;
maintainers = [ maintainers.costrouc ];
};
}