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Merge pull request #163679 from sheepforce/iodata

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python3.pkgs.iodata: init at 0.1.7
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markuskowa 2022-03-11 17:54:40 +01:00 committed by GitHub
commit 88e61ec61a
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28
pkgs/development/python-modules/iodata/default.nix Normal file
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@ -0,0 +1,28 @@
{ 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 ];
};
}

2
pkgs/top-level/python-packages.nix
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@ -4080,6 +4080,8 @@ in {
invoke = callPackage ../development/python-modules/invoke { };
iodata = callPackage ../development/python-modules/iodata { };
iocapture = callPackage ../development/python-modules/iocapture { };
iotawattpy = callPackage ../development/python-modules/iotawattpy { };