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28 lines
873 B
28 lines
873 B
{ buildPythonPackage, lib, fetchFromGitHub, numpy, scipy, attrs, cython, nose }:
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buildPythonPackage rec {
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pname = "iodata";
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version = "0.1.7";
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src = fetchFromGitHub {
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owner = "theochem";
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repo = pname;
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rev = version;
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hash = "sha256-Qn2xWFxdS12K92DhdHVzYrBjPRV+vYo7Cs27vkeCaxM=";
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};
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leaveDotGit = true;
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nativeBuildInputs = [ cython nose ];
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propagatedBuildInputs = [ numpy scipy attrs ];
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pythonImportsCheck = [ "iodata" "iodata.overlap_accel" ];
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doCheck = false; # Requires roberto or nose and a lenghtly setup to find the cython modules
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meta = with lib; {
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description = "Python library for reading, writing, and converting computational chemistry file formats and generating input files";
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homepage = "https://github.com/theochem/iodata";
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license = licenses.lgpl3Only;
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maintainers = [ maintainers.sheepforce ];
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};
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}
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