{ lib, buildPythonPackage, fetchPypi, spglib, numpy, scipy, matplotlib, ase, netcdf4, pythonOlder, cython, cmake, setuptools, }: buildPythonPackage rec { pname = "boltztrap2"; version = "24.1.1"; pyproject = true; build-system = [ setuptools ]; disabled = pythonOlder "3.5"; src = fetchPypi { pname = "BoltzTraP2"; inherit version; hash = "sha256-kgv4lPBxcBmRKihaTwPRz8bHTWAWUOGZADtJUb3y+C4="; }; postPatch = '' substituteInPlace setup.py \ --replace-fail "USE_CYTHON = False" "USE_CYTHON = True" ''; dontUseCmakeConfigure = true; nativeBuildInputs = [ cmake cython ]; dependencies = [ spglib numpy scipy matplotlib ase netcdf4 ]; # pypi release does no include files for tests doCheck = false; pythonImportsCheck = [ "BoltzTraP2" ]; meta = with lib; { description = "Band-structure interpolator and transport coefficient calculator"; mainProgram = "btp2"; homepage = "http://www.boltztrap.org/"; license = licenses.gpl3Plus; maintainers = with maintainers; [ ]; }; }