NEW: Mechanism to lock profile access within AiiDA (v2)

aiida/backends/managers/__init__.py

@@ -0,0 +1,9 @@
+# -*- coding: utf-8 -*-
+###########################################################################
+# 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               #
+###########################################################################

aiida/common/__init__.py

@@ -57,6 +57,8 @@
     'LicensingException',
     'LinkType',
     'LoadingEntryPointError',
+    'LockedProfileError',
+    'LockingProfileError',
     'MissingConfigurationError',
     'MissingEntryPointError',
     'ModificationNotAllowed',

aiida/common/exceptions.py

@@ -17,7 +17,8 @@
     'PluginInternalError', 'ValidationError', 'ConfigurationError', 'ProfileConfigurationError',
     'MissingConfigurationError', 'ConfigurationVersionError', 'IncompatibleDatabaseSchema', 'DbContentError',
     'InputValidationError', 'FeatureNotAvailable', 'FeatureDisabled', 'LicensingException', 'TestsNotAllowedError',
-    'UnsupportedSpeciesError', 'TransportTaskException', 'OutputParsingError', 'HashingError', 'DatabaseMigrationError'
+    'UnsupportedSpeciesError', 'TransportTaskException', 'OutputParsingError', 'HashingError', 'DatabaseMigrationError',
+    'LockedProfileError', 'LockingProfileError'
 )
 
 
@@ -260,3 +261,15 @@ class HashingError(AiidaException):
     """
     Raised when an attempt to hash an object fails via a known failure mode
     """
+
+
+class LockedProfileError(AiidaException):
+    """
+    Raised if attempting to access a locked profile
+    """
+
+
+class LockingProfileError(AiidaException):
+    """
+    Raised if the profile can`t be locked
+    """

aiida/manage/configuration/settings.py

@@ -24,10 +24,12 @@
 DEFAULT_CONFIG_INDENT_SIZE = 4
 DEFAULT_DAEMON_DIR_NAME = 'daemon'
 DEFAULT_DAEMON_LOG_DIR_NAME = 'log'
+DEFAULT_ACCESS_CONTROL_DIR_NAME = 'access'
 
 AIIDA_CONFIG_FOLDER: typing.Optional[pathlib.Path] = None
 DAEMON_DIR: typing.Optional[pathlib.Path] = None
 DAEMON_LOG_DIR: typing.Optional[pathlib.Path] = None
+ACCESS_CONTROL_DIR: typing.Optional[pathlib.Path] = None
 
 
 def create_instance_directories():
@@ -41,11 +43,19 @@ def create_instance_directories():
     directory_base = pathlib.Path(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 [directory_base, directory_daemon, directory_daemon_log]:
+        for path in list_of_paths:
 
             if path is directory_base and not path.exists():
                 warnings.warn(f'Creating AiiDA configuration folder `{path}`.')
@@ -75,6 +85,7 @@ def set_configuration_directory():
     global AIIDA_CONFIG_FOLDER
     global DAEMON_DIR
     global DAEMON_LOG_DIR
+    global ACCESS_CONTROL_DIR
 
     environment_variable = os.environ.get(DEFAULT_AIIDA_PATH_VARIABLE, None)
 
@@ -100,6 +111,7 @@ def set_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()
 

aiida/manage/manager.py

@@ -114,6 +114,7 @@ def _load_backend(self, schema_check: bool = True, repository_check: bool = True
         from aiida.common import ConfigurationError, InvalidOperation
         from aiida.common.log import configure_logging
         from aiida.manage import configuration
+        from aiida.manage.profile_access import ProfileAccessManager
 
         profile = self.get_profile()
 
@@ -129,6 +130,8 @@ def _load_backend(self, schema_check: bool = True, repository_check: bool = True
 
         # Do NOT reload the backend environment if already loaded, simply reload the backend instance after
         if configuration.BACKEND_UUID is None:
+            access_manager = ProfileAccessManager(profile)
+            access_manager.request_access()
             backend_manager.load_backend_environment(profile, validate_schema=schema_check)
             configuration.BACKEND_UUID = profile.uuid
 

aiida/manage/profile_access.py

@@ -0,0 +1,222 @@
+# -*- coding: utf-8 -*-
+###########################################################################
+# 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               #
+###########################################################################
+"""Module for the ProfileAccessManager that tracks process access to the profile."""
+import contextlib
+import os
+from pathlib import Path
+import typing
+
+import psutil
+
+from aiida.common.exceptions import LockedProfileError, LockingProfileError
+from aiida.common.lang import type_check
+from aiida.manage.configuration import Profile
+
+
+class ProfileAccessManager:
+    """Class to manage access to a profile.
+
+    Any process that wants to request access for a given profile, should first call:
+
+        ProfileAccessManager(profile).request_access()
+
+    If this returns normally, the profile can be used safely. It will raise if it is locked, in which case the profile
+    should not be used. If a process wants to request exclusive access to the profile, it should use ``lock``:
+
+        with ProfileAccessManager(profile).lock():
+            pass
+
+    If the profile is already locked or is currently in use, an exception is raised.
+
+    Access and locks of the profile will be recorded in a directory with files with a ``.pid`` and ``.lock`` extension,
+    respectively. In principle then, at any one time, there can either be a number of pid files, or just a single lock
+    file. If there is a mixture or there are more than one lock files, we are in an inconsistent state.
+    """
+
+    def __init__(self, profile: Profile):
+        """Class that manages access and locks to the given profile.
+
+        :param profile: the profile whose access to manage.
+        """
+        from aiida.manage.configuration.settings import ACCESS_CONTROL_DIR
+
+        type_check(profile, Profile)
+        self.profile = profile
+        self.process = psutil.Process(os.getpid())
+        self._dirpath_records = ACCESS_CONTROL_DIR / profile.name
+        self._dirpath_records.mkdir(exist_ok=True)
+
+    def request_access(self) -> None:
+        """Request access to the profile.
+
+        If the profile is locked, a ``LockedProfileError`` is raised. Otherwise a PID file is created for this process
+        and the function returns ``None``. The PID file contains the command of the process.
+
+        :raises ~aiida.common.exceptions.LockedProfileError: if the profile is locked.
+        """
+        error_message = (
+            f'process {self.process.pid} cannot access profile `{self.profile.name}`'
+            f'because it is being locked.'
+        )
+        self._raise_if_locked(error_message)
+
+        filepath_pid = self._dirpath_records / f'{self.process.pid}.pid'
+        filepath_tmp = self._dirpath_records / f'{self.process.pid}.tmp'
+
+        try:
+            # Write the content to a temporary file and then move it into place with an atomic operation.
+            # This prevents the situation where another process requests a lock while this file is being
+            # written: if that was to happen, when the locking process is checking for outdated records
+            # it will read the incomplete command, won't be able to correctly compare it with its running
+            # process, and will conclude the record is old and clean it up.
+            filepath_tmp.write_text(str(self.process.cmdline()))
+            os.rename(filepath_tmp, filepath_pid)
+
+            # Check again in case a lock was created in the time between the first check and creating the
+            # access record file.
+            error_message = (
+                f'profile `{self.profile.name}` was locked while process '
+                f'{self.process.pid} was requesting access.'
+            )
+            self._raise_if_locked(error_message)
+
+        except Exception as exc:
+            filepath_tmp.unlink(missing_ok=True)
+            filepath_pid.unlink(missing_ok=True)
+            raise exc
+
+    @contextlib.contextmanager
+    def lock(self):
+        """Request a lock on the profile for exclusive access.
+
+        This context manager should be used if exclusive access to the profile is required. Access will be granted if
+        the profile is currently not in use, nor locked by another process. During the context, the profile will be
+        locked, which will be lifted automatically as soon as the context exits.
+
+        :raises ~aiida.common.exceptions.LockingProfileError: if there are currently active processes using the profile.
+        :raises ~aiida.common.exceptions.LockedProfileError: if there currently already is a lock on the profile.
+        """
+        error_message = (
+            f'process {self.process.pid} cannot lock profile `{self.profile.name}` '
+            f'because it is already locked.'
+        )
+        self._raise_if_locked(error_message)
+
+        self._clear_stale_pid_files()
+
+        error_message = (
+            f'process {self.process.pid} cannot lock profile `{self.profile.name}` '
+            f'because it is being accessed.'
+        )
+        self._raise_if_active(error_message)
+
+        filepath = self._dirpath_records / f'{self.process.pid}.lock'
+        filepath.touch()
+
+        try:
+            # Check if no other lock files were created in the meantime, which is possible if another
+            # process was trying to obtain a lock at almost the same time.
+            # By re-checking after creating the lock file we can ensure that racing conditions will never
+            # cause two different processes to both think that they acquired the lock. It is still possible
+            # that two processes that are trying to lock will think that the other acquired the lock first
+            # and then both will fail, but this is a much safer case.
+            error_message = (
+                f'while process {self.process.pid} attempted to lock profile `{self.profile.name}`, '
+                f'other process blocked it first.'
+            )
+            self._raise_if_locked(error_message)
+
+            error_message = (
+                f'while process {self.process.pid} attempted to lock profile `{self.profile.name}`, '
+                f'other process started using it.'
+            )
+            self._raise_if_active(error_message)
+
+            yield
+
+        finally:
+            filepath.unlink(missing_ok=True)
+
+    def is_locked(self) -> bool:
+        """Return whether the profile is locked."""
+        return self._get_tracking_files('.lock', exclude_self=False) != []
+
+    def is_active(self) -> bool:
+        """Return whether the profile is currently in use."""
+        return self._get_tracking_files('.pid', exclude_self=False) != []
+
+    def clear_locks(self) -> None:
+        """Clear all locks on this profile.
+
+        .. warning:: This should only be used if the profile is currently still incorrectly locked because the lock was
+            not automatically released after the ``lock`` contextmanager exited its scope.
+        """
+        for lock_file in self._get_tracking_files('.lock'):
+            lock_file.unlink()
+
+    def _clear_stale_pid_files(self) -> None:
+        """Clear any stale PID files."""
+        for path in self._get_tracking_files('.pid'):
+            try:
+                process = psutil.Process(int(path.stem))
+            except psutil.NoSuchProcess:
+                # The process no longer exists, so simply remove the PID file.
+                path.unlink()
+            else:
+                # If the process exists but its command is different from what is written in the PID file,
+                # we assume the latter is stale and remove it.
+                if path.read_text() != str(process.cmdline()):
+                    path.unlink()
+
+    def _get_tracking_files(self, ext_string: str, exclude_self: bool = False) -> typing.List[Path]:
+        """Return a list of all files that track the accessing and locking of the profile.
+
+        :param ext_string:
+            To get the files that track locking use `.lock`, to get the files that track access use `.pid`.
+
+        :param exclude_self:
+            If true removes from the returned list any tracking to the current process.
+        """
+        path_iterator = self._dirpath_records.glob('*' + ext_string)
+
+        if exclude_self:
+            filepath_self = self._dirpath_records / (str(self.process.pid) + ext_string)
+            list_of_files = [filepath for filepath in path_iterator if filepath != filepath_self]
+
+        else:
+            list_of_files = list(path_iterator)
+
+        return list_of_files
+
+    def _raise_if_locked(self, message_start):
+        """Raise a ``LockedProfileError`` if the profile is locked.
+
+        :param message_start: Text to use as the start of the exception message.
+        :raises ~aiida.common.exceptions.LockedProfileError: if the profile is locked.
+        """
+        list_of_files = self._get_tracking_files('.lock', exclude_self=True)
+
+        if len(list_of_files) > 0:
+            error_msg = message_start + '\nThe following processes are blocking the profile:\n'
+            error_msg += '\n'.join(f' - pid {path.stem}' for path in list_of_files)
+            raise LockedProfileError(error_msg)
+
+    def _raise_if_active(self, message_start):
+        """Raise a ``LockingProfileError`` if the profile is being accessed.
+
+        :param message_start: Text to use as the start of the exception message.
+        :raises ~aiida.common.exceptions.LockingProfileError: if the profile is active.
+        """
+        list_of_files = self._get_tracking_files('.pid', exclude_self=True)
+
+        if len(list_of_files) > 0:
+            error_msg = message_start + '\nThe following processes are accessing the profile:\n'
+            error_msg += '\n'.join(f' - pid {path.stem} (`{path.read_text()}`)' for path in list_of_files)
+            raise LockingProfileError(error_msg)

tests/backends/managers/__init__.py

@@ -0,0 +1,9 @@
+# -*- coding: utf-8 -*-
+###########################################################################
+# 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               #
+###########################################################################