# -*- coding: utf-8 -*-
__copyright__ = """ This code is licensed under the 3-clause BSD license.
Copyright ETH Zurich, Department of Chemistry and Applied Biosciences, Reiher Group.
See LICENSE.txt for details.
"""
from typing import List
from .program import Program
from scine_puffin.config import Configuration
[docs]class Parrot(Program):
"""
Parrot -- Machine Learning Potentials for SCINE
"""
[docs] def install(self, repo_dir: str, install_dir: str, _: int):
if self.root:
raise RuntimeError
elif self.source:
self.pip_module_source_install(repo_dir, install_dir)
else:
self.pip_package_install('scine_parrot', install_dir)
[docs] def check_install(self):
raise NotImplementedError
[docs] def setup_environment(self, _: Configuration, __: dict, ___: dict):
pass
[docs] def available_models(self) -> List[str]:
return ['lmlp', 'ani', 'm3gnet']
[docs] @staticmethod
def initialize():
import scine_parrot # noqa: F401 , pylint: disable=unused-import