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{ buildPythonPackage, lib, fetchFromGitHub, numpy, scipy, attrs, cython, nose }:
buildPythonPackage rec {
pname = "iodata";
version = "1.0.0a2";
format = "setuptools";
src = fetchFromGitHub {
owner = "theochem";
repo = pname;
rev = version;
hash = "sha256-GFTCYE19Re7WLhV8eU+0i8OMp/Tsms/Xj9DRTcgjcz4=";
};
nativeBuildInputs = [ cython nose ];
propagatedBuildInputs = [ numpy scipy attrs ];
pythonImportsCheck = [ "iodata" ];
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";
mainProgram = "iodata-convert";
homepage = "https://github.com/theochem/iodata";
license = licenses.lgpl3Only;
maintainers = [ maintainers.sheepforce ];
};
}
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