depot/third_party/nixpkgs/pkgs/development/python-modules/boltztrap2/default.nix

65 lines
1.1 KiB
Nix

{
lib,
buildPythonPackage,
fetchPypi,
spglib,
numpy,
scipy,
matplotlib,
ase,
netcdf4,
pythonOlder,
cython,
cmake,
setuptools,
}:
buildPythonPackage rec {
pname = "boltztrap2";
version = "24.9.4";
pyproject = true;
build-system = [ setuptools ];
disabled = pythonOlder "3.5";
src = fetchPypi {
pname = "BoltzTraP2";
inherit version;
hash = "sha256-BfGR7sY0E9r+RXA1fC9uy1GXC+EFV1RKOvMyvGcf+aE=";
};
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 = [ ];
};
}