mirror of
https://github.com/NixOS/nixpkgs.git
synced 2024-11-22 06:53:01 +00:00
66 lines
1.1 KiB
Nix
66 lines
1.1 KiB
Nix
{
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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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pythonOlder,
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cython,
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cmake,
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setuptools,
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}:
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buildPythonPackage rec {
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pname = "boltztrap2";
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version = "24.9.4";
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pyproject = true;
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build-system = [ 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-BfGR7sY0E9r+RXA1fC9uy1GXC+EFV1RKOvMyvGcf+aE=";
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};
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postPatch = ''
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substituteInPlace setup.py \
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--replace-fail "USE_CYTHON = False" "USE_CYTHON = True"
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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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dependencies = [
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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 = [ "BoltzTraP2" ];
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meta = with lib; {
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description = "Band-structure interpolator and transport coefficient calculator";
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mainProgram = "btp2";
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homepage = "http://www.boltztrap.org/";
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license = licenses.gpl3Plus;
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maintainers = [ ];
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};
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}
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