You can not select more than 25 topics
Topics must start with a letter or number, can include dashes ('-') and can be up to 35 characters long.
58 lines
948 B
58 lines
948 B
{ lib
|
|
, buildPythonPackage
|
|
, fetchPypi
|
|
, spglib
|
|
, numpy
|
|
, scipy
|
|
, matplotlib
|
|
, ase
|
|
, netcdf4
|
|
, pytest
|
|
, pythonOlder
|
|
, cython
|
|
, cmake
|
|
}:
|
|
|
|
buildPythonPackage rec {
|
|
pname = "boltztrap2";
|
|
version = "22.4.1";
|
|
format = "setuptools";
|
|
|
|
disabled = pythonOlder "3.5";
|
|
|
|
src = fetchPypi {
|
|
pname = "BoltzTraP2";
|
|
inherit version;
|
|
hash = "sha256-lGwKHWAslCmb9bVQELHD6kAay+dnieiNsSAfAyNFLPM=";
|
|
};
|
|
|
|
dontUseCmakeConfigure = true;
|
|
|
|
nativeBuildInputs = [
|
|
cmake
|
|
cython
|
|
];
|
|
|
|
propagatedBuildInputs = [
|
|
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";
|
|
homepage = "http://www.boltztrap.org/";
|
|
license = licenses.gpl3Plus;
|
|
maintainers = with maintainers; [ costrouc ];
|
|
};
|
|
}
|
|
|