nixpkgs/pkgs/development/python-modules/atomman/default.nix
2019-10-18 09:53:56 +02:00

41 lines
802 B
Nix

{ stdenv
, buildPythonPackage
, fetchPypi
, xmltodict
, datamodeldict
, numpy
, matplotlib
, scipy
, pandas
, cython
, numericalunits
, pytest
}:
buildPythonPackage rec {
version = "1.2.8";
pname = "atomman";
src = fetchPypi {
inherit pname version;
sha256 = "0ed099fdceca2d733e81afb08d777e8e852a6e53660d6d268f3739b8d323ced9";
};
checkInputs = [ pytest ];
propagatedBuildInputs = [ xmltodict datamodeldict numpy matplotlib scipy pandas cython numericalunits ];
# tests not included with Pypi release
doCheck = false;
checkPhase = ''
py.test tests
'';
meta = with stdenv.lib; {
homepage = https://github.com/usnistgov/atomman/;
description = "Atomistic Manipulation Toolkit";
license = licenses.mit;
maintainers = [ maintainers.costrouc ];
};
}