mirror of
https://github.com/NixOS/nixpkgs.git
synced 2024-12-25 03:17:13 +00:00
44 lines
857 B
Nix
44 lines
857 B
Nix
|
{ stdenv
|
||
|
, buildPythonPackage
|
||
|
, fetchPypi
|
||
|
, spglib
|
||
|
, numpy
|
||
|
, scipy
|
||
|
, matplotlib
|
||
|
, ase
|
||
|
, netcdf4
|
||
|
, pytest
|
||
|
, pythonOlder
|
||
|
, cython
|
||
|
, cmake
|
||
|
}:
|
||
|
|
||
|
buildPythonPackage rec {
|
||
|
version = "18.9.1";
|
||
|
pname = "BoltzTraP2";
|
||
|
disabled = pythonOlder "3.5";
|
||
|
|
||
|
src = fetchPypi {
|
||
|
inherit pname version;
|
||
|
sha256 = "b828ad2b3b3a40956ef866e462e4c82faf83be79348af3945d4e7cede8a53913";
|
||
|
};
|
||
|
|
||
|
buildInputs = [ cython cmake ];
|
||
|
checkInputs = [ pytest ];
|
||
|
propagatedBuildInputs = [ spglib numpy scipy matplotlib ase netcdf4 ];
|
||
|
|
||
|
# pypi release does no include files for tests
|
||
|
doCheck = false;
|
||
|
|
||
|
checkPhase = ''
|
||
|
py.test
|
||
|
'';
|
||
|
|
||
|
meta = with stdenv.lib; {
|
||
|
homepage = https://www.boltztrap.org/;
|
||
|
description = "Band-structure interpolator and transport coefficient calculator";
|
||
|
license = licenses.gpl3;
|
||
|
maintainers = [ maintainers.costrouc ];
|
||
|
};
|
||
|
}
|