Source code for aiida.manage.configuration.settings

###########################################################################
# 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


[docs] 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)
[docs] 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 ``AIIDA_PATH`` is not set, the current working directory is checked for an existing configuration directory moving up the file hierarchy until the first is encountered or the root directory is hit. * If an existing directory is still not found, the ``DEFAULT_AIIDA_PATH`` is used. :returns: The path of the configuration directory. """ dirpath_config: pathlib.Path | None = None if environment_variable := os.environ.get(DEFAULT_AIIDA_PATH_VARIABLE): dirpath_config = get_configuration_directory_from_envvar(environment_variable) else: dirpath_config = get_configuration_directory_from_cwd() # 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
[docs] def get_configuration_directory_from_envvar(environment_variable: str) -> pathlib.Path: """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. """ # 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
[docs] def get_configuration_directory_from_cwd() -> pathlib.Path | None: """Return the path of the first occurrence of a config directory in the hierarchy of the current working directory. :returns: The path of an existing config directory in the hierarchy of the current working directory or ``None`` if no such directory exists. """ dirpath = pathlib.Path.cwd() while dirpath.is_dir(): if (dirpath / DEFAULT_CONFIG_DIR_NAME).is_dir(): return dirpath / DEFAULT_CONFIG_DIR_NAME if dirpath.parent == dirpath: # End of the line, no more parent directories to check break # Check the parent directory next dirpath = dirpath.parent return None
[docs] 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()