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{ stdenv, buildPythonPackage, fetchFromGitHub, isPy27
, cython
, datamodeldict
, matplotlib
, numericalunits
, numpy
, pandas
, pytest
, scipy
, toolz
, xmltodict
}:
buildPythonPackage rec {
version = "1.3.0";
pname = "atomman";
disabled = isPy27;
src = fetchFromGitHub {
owner = "usnistgov";
repo = "atomman";
rev = "v${version}";
sha256 = "09pfykd96wmw00s3kgabghykjn8b4yjml4ybpi7kwy7ygdmzcx51";
};
checkInputs = [ pytest ];
propagatedBuildInputs = [ xmltodict datamodeldict numpy matplotlib scipy pandas cython numericalunits toolz ];
checkPhase = ''
py.test tests -k 'not test_atomic'
'';
meta = with stdenv.lib; {
homepage = https://github.com/usnistgov/atomman/;
description = "Atomistic Manipulation Toolkit";
license = licenses.mit;
maintainers = [ maintainers.costrouc ];
};
}
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