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