# -*- coding: utf-8 -*-
__copyright__ = """ This code is licensed under the 3-clause BSD license.
Copyright ETH Zurich, Laboratory of Physical Chemistry, Reiher Group.
See LICENSE.txt for details.
"""
from typing import List
from .program import Program
from scine_puffin.config import Configuration
[docs]class Sparrow(Program):
"""
Scine: Sparrow -- installation and verification class
"""
def __init__(self, settings: dict):
super().__init__(settings)
def install(self, repo_dir: str, install_dir: str, ncores: int):
if self.root:
raise NotImplementedError
elif self.source:
self.scine_module_install(repo_dir, install_dir, ncores, add_lib=True, add_bin=True)
else:
raise RuntimeError
def check_install(self):
raise NotImplementedError
def setup_environment(self, config: Configuration, env: dict, executables: dict):
if self.root:
raise NotImplementedError
elif self.source:
pass
else:
raise RuntimeError
def available_models(self) -> List[str]:
return ["NDDO", "RM1", "AM1", "PM3", "PM6", "DFTB2", "DFTB3"]