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{ stdenv
, buildPythonPackage
, fetchPypi
, xmltodict
, datamodeldict
, numpy
, matplotlib
, scipy
, pandas
, cython
, numericalunits
, pytest
}:
buildPythonPackage rec {
version = "1.2.6";
pname = "atomman";
src = fetchPypi {
inherit pname version;
sha256 = "19501bfdf7e66090764a0ccbecf85a128b46333ea232c2137fa4345512b8b502";
};
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 ];
};
}
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