58 lines
949 B
Nix
58 lines
949 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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pname = "boltztrap2";
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version = "22.12.1";
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format = "setuptools";
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disabled = pythonOlder "3.5";
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src = fetchPypi {
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pname = "BoltzTraP2";
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inherit version;
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hash = "sha256-gzjWAMUJcF5AyDS1Qx7opVbYewaqGgmFMDGWCh/2Wz4=";
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};
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dontUseCmakeConfigure = true;
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nativeBuildInputs = [
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cmake
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cython
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];
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propagatedBuildInputs = [
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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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];
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# pypi release does no include files for tests
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doCheck = false;
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pythonImportsCheck = [
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"BoltzTraP2"
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];
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meta = with lib; {
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description = "Band-structure interpolator and transport coefficient calculator";
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homepage = "http://www.boltztrap.org/";
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license = licenses.gpl3Plus;
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maintainers = with maintainers; [ costrouc ];
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};
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}
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