nixpkgs/pkgs/development/python-modules/atomman/default.nix

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{ stdenv
, buildPythonPackage
, fetchPypi
, xmltodict
, datamodeldict
, numpy
, matplotlib
, scipy
, pandas
, cython
, numericalunits
, pytest
}:
buildPythonPackage rec {
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version = "1.2.8";
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pname = "atomman";
src = fetchPypi {
inherit pname version;
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sha256 = "0ed099fdceca2d733e81afb08d777e8e852a6e53660d6d268f3739b8d323ced9";
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};
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 ];
};
}