60 lines
1.1 KiB
Nix
60 lines
1.1 KiB
Nix
{
|
|
lib,
|
|
buildPythonPackage,
|
|
fetchFromGitHub,
|
|
pythonOlder,
|
|
cython,
|
|
h5py,
|
|
matplotlib,
|
|
numpy,
|
|
phonopy,
|
|
pymatgen,
|
|
scipy,
|
|
seekpath,
|
|
spglib,
|
|
castepxbin,
|
|
pytestCheckHook,
|
|
colormath,
|
|
}:
|
|
|
|
buildPythonPackage rec {
|
|
pname = "sumo";
|
|
version = "2.3.8";
|
|
format = "setuptools";
|
|
|
|
disabled = pythonOlder "3.8";
|
|
|
|
src = fetchFromGitHub {
|
|
owner = "SMTG-UCL";
|
|
repo = "sumo";
|
|
rev = "refs/tags/v${version}";
|
|
hash = "sha256-nQ5US7maFcOJCqFYeokGiBFp3jhiOPSfCBeclLdHdkk=";
|
|
};
|
|
|
|
nativeBuildInputs = [ cython ];
|
|
|
|
propagatedBuildInputs = [
|
|
castepxbin
|
|
colormath
|
|
h5py
|
|
matplotlib
|
|
numpy
|
|
phonopy
|
|
pymatgen
|
|
scipy
|
|
seekpath
|
|
spglib
|
|
];
|
|
|
|
nativeCheckInputs = [ pytestCheckHook ];
|
|
|
|
pythonImportsCheck = [ "sumo" ];
|
|
|
|
meta = with lib; {
|
|
description = "Toolkit for plotting and analysis of ab initio solid-state calculation data";
|
|
homepage = "https://github.com/SMTG-UCL/sumo";
|
|
changelog = "https://github.com/SMTG-Bham/sumo/releases/tag/v${version}";
|
|
license = licenses.mit;
|
|
maintainers = with maintainers; [ psyanticy ];
|
|
};
|
|
}
|