38 lines
686 B
Nix
38 lines
686 B
Nix
|
{ lib
|
||
|
, buildPythonPackage
|
||
|
, fetchFromGitHub
|
||
|
, numpy
|
||
|
, scipy
|
||
|
, pymatgen
|
||
|
, pytestCheckHook
|
||
|
}:
|
||
|
|
||
|
buildPythonPackage rec {
|
||
|
pname = "castepxbin";
|
||
|
version = "0.1.0";
|
||
|
|
||
|
src = fetchFromGitHub {
|
||
|
owner = "zhubonan";
|
||
|
repo = "castepxbin";
|
||
|
rev = "v${version}";
|
||
|
sha256 = "16wnd1mwhl204d1s3har2fhyhyjg86sypg00bj812dxk8zixxszf";
|
||
|
};
|
||
|
|
||
|
propagatedBuildInputs = [
|
||
|
numpy
|
||
|
scipy
|
||
|
pymatgen
|
||
|
];
|
||
|
|
||
|
checkInputs = [
|
||
|
pytestCheckHook
|
||
|
];
|
||
|
|
||
|
meta = with lib; {
|
||
|
description = "A collection of readers for CASTEP binary outputs";
|
||
|
homepage = "https://github.com/zhubonan/castepxbin";
|
||
|
license = licenses.mit;
|
||
|
maintainers = with maintainers; [ dotlambda ];
|
||
|
};
|
||
|
}
|