45 lines
874 B
Nix
45 lines
874 B
Nix
{ lib
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, buildPythonPackage
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, fetchPypi
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, spglib
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, numpy
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, scipy
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, matplotlib
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, ase
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, netcdf4
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, pytest
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, pythonOlder
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, cython
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, cmake
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}:
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buildPythonPackage rec {
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version = "22.3.2";
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pname = "BoltzTraP2";
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disabled = pythonOlder "3.5";
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src = fetchPypi {
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inherit pname version;
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sha256 = "sha256-Yo37xdXxCQKkA+lrFEZp1DxjJy216Q6aYYT68PEx9JU=";
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};
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dontUseCmakeConfigure = true;
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nativeBuildInputs = [ cmake cython ];
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checkInputs = [ pytest ];
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propagatedBuildInputs = [ spglib numpy scipy matplotlib ase netcdf4 ];
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# pypi release does no include files for tests
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doCheck = false;
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checkPhase = ''
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py.test
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'';
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meta = with lib; {
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homepage = "http://www.boltztrap.org/";
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description = "Band-structure interpolator and transport coefficient calculator";
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license = licenses.gpl3;
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maintainers = [ maintainers.costrouc ];
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};
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}
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