40 lines
802 B
Nix
40 lines
802 B
Nix
{ stdenv
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, buildPythonPackage
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, fetchPypi
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, xmltodict
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, datamodeldict
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, numpy
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, matplotlib
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, scipy
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, pandas
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, cython
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, numericalunits
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, pytest
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}:
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buildPythonPackage rec {
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version = "1.2.4";
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pname = "atomman";
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src = fetchPypi {
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inherit pname version;
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sha256 = "c204d52cdfb2a7cc4d7d2c4f7a89c215a9fd63b92495a83adf25ae4e820cea3e";
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};
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checkInputs = [ pytest ];
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propagatedBuildInputs = [ xmltodict datamodeldict numpy matplotlib scipy pandas cython numericalunits ];
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# tests not included with Pypi release
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doCheck = false;
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checkPhase = ''
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py.test tests
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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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