aiida.manage.configuration.settings 源代码
###########################################################################
# Copyright (c), The AiiDA team. All rights reserved. #
# This file is part of the AiiDA code. #
# #
# The code is hosted on GitHub at https://github.com/aiidateam/aiida-core #
# For further information on the license, see the LICENSE.txt file #
# For further information please visit http://www.aiida.net #
###########################################################################
"""Base settings required for the configuration of an AiiDA instance."""
from __future__ import annotations
import os
import pathlib
import warnings
DEFAULT_UMASK = 0o0077
DEFAULT_AIIDA_PATH_VARIABLE = 'AIIDA_PATH'
DEFAULT_AIIDA_PATH = '~'
DEFAULT_AIIDA_USER = 'aiida@localhost'
DEFAULT_CONFIG_DIR_NAME = '.aiida'
DEFAULT_CONFIG_FILE_NAME = 'config.json'
DEFAULT_CONFIG_INDENT_SIZE = 4
DEFAULT_DAEMON_DIR_NAME = 'daemon'
DEFAULT_DAEMON_LOG_DIR_NAME = 'log'
DEFAULT_ACCESS_CONTROL_DIR_NAME = 'access'
# Assign defaults which may be overriden in set_configuration_directory() below
AIIDA_CONFIG_FOLDER: pathlib.Path = pathlib.Path(DEFAULT_AIIDA_PATH).expanduser() / DEFAULT_CONFIG_DIR_NAME
DAEMON_DIR: pathlib.Path = AIIDA_CONFIG_FOLDER / DEFAULT_DAEMON_DIR_NAME
DAEMON_LOG_DIR: pathlib.Path = DAEMON_DIR / DEFAULT_DAEMON_LOG_DIR_NAME
ACCESS_CONTROL_DIR: pathlib.Path = AIIDA_CONFIG_FOLDER / DEFAULT_ACCESS_CONTROL_DIR_NAME
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def create_instance_directories() -> None:
"""Create the base directories required for a new AiiDA instance.
This will create the base AiiDA directory defined by the AIIDA_CONFIG_FOLDER variable, unless it already exists.
Subsequently, it will create the daemon directory within it and the daemon log directory.
"""
from aiida.common import ConfigurationError
directory_base = AIIDA_CONFIG_FOLDER.expanduser()
directory_daemon = directory_base / DAEMON_DIR
directory_daemon_log = directory_base / DAEMON_LOG_DIR
directory_access = directory_base / ACCESS_CONTROL_DIR
list_of_paths = [
directory_base,
directory_daemon,
directory_daemon_log,
directory_access,
]
umask = os.umask(DEFAULT_UMASK)
try:
for path in list_of_paths:
if path is directory_base and not path.exists():
warnings.warn(f'Creating AiiDA configuration folder `{path}`.')
try:
path.mkdir(parents=True, exist_ok=True)
except OSError as exc:
raise ConfigurationError(f'could not create the `{path}` configuration directory: {exc}') from exc
finally:
os.umask(umask)
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def get_configuration_directory():
"""Return the path of the configuration directory.
The location of the configuration directory is defined following these heuristics in order:
* If the ``AIIDA_PATH`` variable is set, all the paths will be checked to see if they contain a
configuration folder. The first one to be encountered will be set as ``AIIDA_CONFIG_FOLDER``. If none of them
contain one, the last path defined in the environment variable considered is used.
* If an existing directory is still not found, the ``DEFAULT_AIIDA_PATH`` is used.
:returns: The path of the configuration directory.
"""
dirpath_config = get_configuration_directory_from_envvar()
# If no existing configuration directory is found, fall back to the default
if dirpath_config is None:
dirpath_config = pathlib.Path(DEFAULT_AIIDA_PATH).expanduser() / DEFAULT_CONFIG_DIR_NAME
return dirpath_config
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def get_configuration_directory_from_envvar() -> pathlib.Path | None:
"""Return the path of a config directory from the ``AIIDA_PATH`` environment variable.
The environment variable should be a colon separated string of filepaths that either point directly to a config
directory or a path that contains a config directory. The first match is returned. If no existing config directory
is found, the last path in the environment variable is used.
:returns: The path of the configuration directory or ``None`` if ``AIIDA_PATH`` is not defined.
"""
environment_variable = os.environ.get(DEFAULT_AIIDA_PATH_VARIABLE)
if environment_variable is None:
return None
# Loop over all the paths in the ``AIIDA_PATH`` variable to see if any of them contain a configuration folder
for base_dir_path in [path for path in environment_variable.split(':') if path]:
dirpath_config = pathlib.Path(base_dir_path).expanduser()
# Only add the base config directory name to the base path if it does not already do so
# Someone might already include it in the environment variable. e.g.: ``AIIDA_PATH=/home/some/path/.aiida``
if dirpath_config.name != DEFAULT_CONFIG_DIR_NAME:
dirpath_config = dirpath_config / DEFAULT_CONFIG_DIR_NAME
# If the directory exists, we leave it set and break the loop
if dirpath_config.is_dir():
break
return dirpath_config
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def set_configuration_directory(aiida_config_folder: pathlib.Path | None = None) -> None:
"""Set the configuration directory, related global variables and create instance directories.
The location of the configuration directory is defined by ``aiida_config_folder`` or if not defined, the path that
is returned by ``get_configuration_directory``. If the directory does not exist yet, it is created, together with
all its subdirectories.
"""
global AIIDA_CONFIG_FOLDER # noqa: PLW0603
global DAEMON_DIR # noqa: PLW0603
global DAEMON_LOG_DIR # noqa: PLW0603
global ACCESS_CONTROL_DIR # noqa: PLW0603
AIIDA_CONFIG_FOLDER = aiida_config_folder or get_configuration_directory()
DAEMON_DIR = AIIDA_CONFIG_FOLDER / DEFAULT_DAEMON_DIR_NAME
DAEMON_LOG_DIR = DAEMON_DIR / DEFAULT_DAEMON_LOG_DIR_NAME
ACCESS_CONTROL_DIR = AIIDA_CONFIG_FOLDER / DEFAULT_ACCESS_CONTROL_DIR_NAME
create_instance_directories()
# Initialize the configuration directory settings
set_configuration_directory()