Merge pull request #163679 from sheepforce/iodata

{ buildPythonPackage, lib, fetchFromGitHub, numpy, scipy, attrs, cython, nose }:

buildPythonPackage rec {

  pname = "iodata";

  version = "0.1.7";

  src = fetchFromGitHub {

    owner = "theochem";

    repo = pname;

    rev = version;

    hash = "sha256-Qn2xWFxdS12K92DhdHVzYrBjPRV+vYo7Cs27vkeCaxM=";

  };

  leaveDotGit = true;

  nativeBuildInputs = [ cython nose ];

  propagatedBuildInputs = [ numpy scipy attrs ];

  pythonImportsCheck = [ "iodata" "iodata.overlap_accel" ];

  doCheck = false; # Requires roberto or nose and a lenghtly setup to find the cython modules

  meta = with lib; {

    description = "Python library for reading, writing, and converting computational chemistry file formats and generating input files";

    homepage = "https://github.com/theochem/iodata";

    license = licenses.lgpl3Only;

    maintainers = [ maintainers.sheepforce ];

  };

}

  invoke = callPackage ../development/python-modules/invoke { };

  iodata = callPackage ../development/python-modules/iodata { };

  iocapture = callPackage ../development/python-modules/iocapture { };

  iotawattpy = callPackage ../development/python-modules/iotawattpy { };