33 lines
761 B
Nix
33 lines
761 B
Nix
{ 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 ];
|
|
};
|
|
}
|