From ac0d20987b275a1b780f6c16ea735dc092bca704 Mon Sep 17 00:00:00 2001 From: Sebastiaan Huber Date: Thu, 9 Jul 2020 11:41:14 +0200 Subject: [PATCH 01/13] Add the `repository_metadata` column to the `Node` database models This new JSONB column will be used to store the metadata of the contents of the file repository. It essentially is a mapping of the file object hierarchy, where each object contains the relative filepath of it within the repository, which is purely symbolic, and a hashkey, which is the actual identifier that uniquely identifies the object in the repository backend. The column is made nullable and there is no default set. This is to make sure to not add unnecessary bytes to the database for all the nodes that contain no files whatsoever, which will be a decent chunk. The front-end ORM class `Node` will return an empty dictionary if the database model field is null, such that the clients don't have to deal with `None`. --- .../0046_add_node_repository_metadata.py | 36 +++++++++++++++++ .../backends/djsite/db/migrations/__init__.py | 2 +- aiida/backends/djsite/db/models.py | 1 + ...36a82b2cc4_add_node_repository_metadata.py | 36 +++++++++++++++++ aiida/backends/sqlalchemy/models/node.py | 1 + aiida/orm/implementation/nodes.py | 16 ++++++++ aiida/orm/nodes/node.py | 17 ++++++++ ...tions_0046_add_node_repository_metadata.py | 33 ++++++++++++++++ .../aiida_sqlalchemy/test_migrations.py | 39 +++++++++++++++++++ tests/orm/implementation/test_nodes.py | 2 + tests/orm/node/test_node.py | 17 ++++++++ 11 files changed, 199 insertions(+), 1 deletion(-) create mode 100644 aiida/backends/djsite/db/migrations/0046_add_node_repository_metadata.py create mode 100644 aiida/backends/sqlalchemy/migrations/versions/7536a82b2cc4_add_node_repository_metadata.py create mode 100644 tests/backends/aiida_django/migrations/test_migrations_0046_add_node_repository_metadata.py diff --git a/aiida/backends/djsite/db/migrations/0046_add_node_repository_metadata.py b/aiida/backends/djsite/db/migrations/0046_add_node_repository_metadata.py new file mode 100644 index 0000000000..82167f9436 --- /dev/null +++ b/aiida/backends/djsite/db/migrations/0046_add_node_repository_metadata.py @@ -0,0 +1,36 @@ +# -*- 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 # +########################################################################### +# pylint: disable=invalid-name,too-few-public-methods +"""Migration to add the `repository_metadata` JSONB column.""" + +# pylint: disable=no-name-in-module,import-error +import django.contrib.postgres.fields.jsonb +from django.db import migrations +from aiida.backends.djsite.db.migrations import upgrade_schema_version + +REVISION = '1.0.46' +DOWN_REVISION = '1.0.45' + + +class Migration(migrations.Migration): + """Migration to add the `repository_metadata` JSONB column.""" + + dependencies = [ + ('db', '0045_dbgroup_extras'), + ] + + operations = [ + migrations.AddField( + model_name='dbnode', + name='repository_metadata', + field=django.contrib.postgres.fields.jsonb.JSONField(null=True), + ), + upgrade_schema_version(REVISION, DOWN_REVISION), + ] diff --git a/aiida/backends/djsite/db/migrations/__init__.py b/aiida/backends/djsite/db/migrations/__init__.py index da2065cbaf..f89c9975a9 100644 --- a/aiida/backends/djsite/db/migrations/__init__.py +++ b/aiida/backends/djsite/db/migrations/__init__.py @@ -21,7 +21,7 @@ class DeserializationException(AiidaException): pass -LATEST_MIGRATION = '0045_dbgroup_extras' +LATEST_MIGRATION = '0046_add_node_repository_metadata' def _update_schema_version(version, apps, _): diff --git a/aiida/backends/djsite/db/models.py b/aiida/backends/djsite/db/models.py index 3ccfc33c2a..30b7b142b7 100644 --- a/aiida/backends/djsite/db/models.py +++ b/aiida/backends/djsite/db/models.py @@ -127,6 +127,7 @@ class DbNode(m.Model): attributes = JSONField(default=dict, null=True) # JSON Extras extras = JSONField(default=dict, null=True) + repository_metadata = JSONField(null=True) objects = m.Manager() # Return aiida Node instances or their subclasses instead of DbNode instances diff --git a/aiida/backends/sqlalchemy/migrations/versions/7536a82b2cc4_add_node_repository_metadata.py b/aiida/backends/sqlalchemy/migrations/versions/7536a82b2cc4_add_node_repository_metadata.py new file mode 100644 index 0000000000..8e8c6d3e94 --- /dev/null +++ b/aiida/backends/sqlalchemy/migrations/versions/7536a82b2cc4_add_node_repository_metadata.py @@ -0,0 +1,36 @@ +# -*- 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 # +########################################################################### +# pylint: disable=invalid-name,no-member +"""Migration to add the `repository_metadata` JSONB column. + +Revision ID: 7536a82b2cc4 +Revises: 0edcdd5a30f0 +Create Date: 2020-07-09 11:32:39.924151 + +""" +from alembic import op +import sqlalchemy as sa +from sqlalchemy.dialects import postgresql + +# revision identifiers, used by Alembic. +revision = '7536a82b2cc4' +down_revision = '0edcdd5a30f0' +branch_labels = None +depends_on = None + + +def upgrade(): + """Migrations for the upgrade.""" + op.add_column('db_dbnode', sa.Column('repository_metadata', postgresql.JSONB(astext_type=sa.Text()), nullable=True)) + + +def downgrade(): + """Migrations for the downgrade.""" + op.drop_column('db_dbnode', 'repository_metadata') diff --git a/aiida/backends/sqlalchemy/models/node.py b/aiida/backends/sqlalchemy/models/node.py index efe18bc979..aee04e38b2 100644 --- a/aiida/backends/sqlalchemy/models/node.py +++ b/aiida/backends/sqlalchemy/models/node.py @@ -41,6 +41,7 @@ class DbNode(Base): mtime = Column(DateTime(timezone=True), default=timezone.now, onupdate=timezone.now) attributes = Column(JSONB) extras = Column(JSONB) + repository_metadata = Column(JSONB) dbcomputer_id = Column( Integer, diff --git a/aiida/orm/implementation/nodes.py b/aiida/orm/implementation/nodes.py index 09f2b60132..2a07ff7393 100644 --- a/aiida/orm/implementation/nodes.py +++ b/aiida/orm/implementation/nodes.py @@ -96,6 +96,22 @@ def description(self, value): """ self._dbmodel.description = value + @property + def repository_metadata(self): + """Return the node repository metadata. + + :return: the repository metadata + """ + return self._dbmodel.repository_metadata + + @repository_metadata.setter + def repository_metadata(self, value): + """Set the repository metadata. + + :param value: the new value to set + """ + self._dbmodel.repository_metadata = value + @abc.abstractproperty def computer(self): """Return the computer of this node. diff --git a/aiida/orm/nodes/node.py b/aiida/orm/nodes/node.py index a30a1d1135..302a8ee0bc 100644 --- a/aiida/orm/nodes/node.py +++ b/aiida/orm/nodes/node.py @@ -12,6 +12,7 @@ import datetime import importlib from logging import Logger +import typing import warnings import traceback from typing import Any, Dict, IO, Iterator, List, Optional, Sequence, Tuple, Type, Union @@ -345,6 +346,22 @@ def description(self, value: str) -> None: """ self.backend_entity.description = value + @property + def repository_metadata(self) -> typing.Dict: + """Return the node repository metadata. + + :return: the repository metadata + """ + return self.backend_entity.repository_metadata or {} + + @repository_metadata.setter + def repository_metadata(self, value): + """Set the repository metadata. + + :param value: the new value to set + """ + self.backend_entity.repository_metadata = value + @property def computer(self) -> Optional[Computer]: """Return the computer of this node. diff --git a/tests/backends/aiida_django/migrations/test_migrations_0046_add_node_repository_metadata.py b/tests/backends/aiida_django/migrations/test_migrations_0046_add_node_repository_metadata.py new file mode 100644 index 0000000000..0798ea8637 --- /dev/null +++ b/tests/backends/aiida_django/migrations/test_migrations_0046_add_node_repository_metadata.py @@ -0,0 +1,33 @@ +# -*- 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 # +########################################################################### +# pylint: disable=import-error,no-name-in-module,invalid-name +"""Test migration adding the `repository_metadata` column to the `Node` model.""" + +from .test_migrations_common import TestMigrations + + +class TestNodeRepositoryMetadataMigration(TestMigrations): + """Test migration adding the `repository_metadata` column to the `Node` model.""" + + migrate_from = '0045_dbgroup_extras' + migrate_to = '0046_add_node_repository_metadata' + + def setUpBeforeMigration(self): + DbNode = self.apps.get_model('db', 'DbNode') + dbnode = DbNode(user_id=self.default_user.id) + dbnode.save() + self.node_pk = dbnode.pk + + def test_group_string_update(self): + """Test that the column is added and null by default.""" + DbNode = self.apps.get_model('db', 'DbNode') + node = DbNode.objects.get(pk=self.node_pk) + assert hasattr(node, 'repository_metadata') + assert node.repository_metadata is None diff --git a/tests/backends/aiida_sqlalchemy/test_migrations.py b/tests/backends/aiida_sqlalchemy/test_migrations.py index 2bbb3e3c2f..7fb79912dc 100644 --- a/tests/backends/aiida_sqlalchemy/test_migrations.py +++ b/tests/backends/aiida_sqlalchemy/test_migrations.py @@ -1747,3 +1747,42 @@ def test_group_string_update(self): self.assertEqual(group.extras, {}) finally: session.close() + + +class TestNodeRepositoryMetadataMigration(TestMigrationsSQLA): + """Test migration adding the `repository_metadata` column to the `Node` model.""" + + migrate_from = '0edcdd5a30f0' # 0edcdd5a30f0_dbgroup_extras.py + migrate_to = '7536a82b2cc4' # 7536a82b2cc4_add_node_repository_metadata.py + + def setUpBeforeMigration(self): + """Create a single node before migration.""" + DbNode = self.get_current_table('db_dbnode') # pylint: disable=invalid-name + DbUser = self.get_current_table('db_dbuser') # pylint: disable=invalid-name + + with self.get_session() as session: + try: + default_user = DbUser(email='{}@aiida.net'.format(self.id())) + session.add(default_user) + session.commit() + + node = DbNode(user_id=default_user.id) + session.add(node) + session.commit() + + self.node_id = node.id + + finally: + session.close() + + def test_add_node_repository_metadata(self): + """Test that the column is added and null by default.""" + DbNode = self.get_current_table('db_dbnode') # pylint: disable=invalid-name + + with self.get_session() as session: + try: + node = session.query(DbNode).filter(DbNode.id == self.node_id).one() + assert hasattr(node, 'repository_metadata') + assert node.repository_metadata is None + finally: + session.close() diff --git a/tests/orm/implementation/test_nodes.py b/tests/orm/implementation/test_nodes.py index 5653026dfc..9be066aabc 100644 --- a/tests/orm/implementation/test_nodes.py +++ b/tests/orm/implementation/test_nodes.py @@ -59,6 +59,7 @@ def test_creation(self): self.assertIsNone(node.process_type) self.assertEqual(node.attributes, dict()) self.assertEqual(node.extras, dict()) + self.assertEqual(node.repository_metadata, None) self.assertEqual(node.node_type, self.node_type) self.assertEqual(node.label, self.node_label) self.assertEqual(node.description, self.node_description) @@ -86,6 +87,7 @@ def test_creation(self): self.assertIsNone(node.process_type) self.assertEqual(node.attributes, dict()) self.assertEqual(node.extras, dict()) + self.assertEqual(node.repository_metadata, None) self.assertEqual(node.node_type, self.node_type) self.assertEqual(node.label, self.node_label) self.assertEqual(node.description, self.node_description) diff --git a/tests/orm/node/test_node.py b/tests/orm/node/test_node.py index afa318772b..df4947da57 100644 --- a/tests/orm/node/test_node.py +++ b/tests/orm/node/test_node.py @@ -48,6 +48,23 @@ def test_computer_user_immutability(self): with self.assertRaises(exceptions.ModificationNotAllowed): node.user = self.user + @staticmethod + def test_repository_metadata(): + """Test the basic properties for `repository_metadata`.""" + node = Data() + assert node.repository_metadata == {} + + node.store() + assert node.repository_metadata == {} + + node = Data() + repository_metadata = {'key': 'value'} + node.repository_metadata = repository_metadata + assert node.repository_metadata == repository_metadata + + node.store() + assert node.repository_metadata == repository_metadata + class TestNodeAttributesExtras(AiidaTestCase): """Test for node attributes and extras.""" From 30fcf6ab58fc09d9345543895ef501ac8183531d Mon Sep 17 00:00:00 2001 From: Sebastiaan Huber Date: Wed, 8 Jul 2020 21:03:35 +0200 Subject: [PATCH 02/13] Add the base implementation for the new repository The `Repository` class is the new interface to interact with the file repository. It contains a file hierarchy in memory to now what is contained within it. A new instance can be constructed from an existing hierarchy using the `from_serialized` class method. The actual storing of the objects in a repository is delegated to a backend repository instance, represented by `AbstractRepositoryBackend`. This backend class is only tasked with consuming byte streams and storing them as objects in some repository under a unique key that allows the object to be retrieved at a later time. The backend repository is not expected to keep a mapping of what it contains. It should merely provide the interface to store byte streams and return their content, given their unique corresponding key. This also means that the internal virtual hierarchy of a ``Repository`` instance does not necessarily represent all the files that are stored by repository backend. The repository exposes a mere subset of all the file objects stored in the backend. This is why object deletion is also implemented as a soft delete, by default, where the files are just removed from the internal virtual hierarchy, but not in the actual backend. This is because those objects can be referenced by other instances. The interface is implemented for the `disk-objectstore` which is an efficient key-value store on the local file system. This commit also provides a sandbox implementation which represents a temporary folder on the local file system. --- aiida/repository/__init__.py | 4 +- aiida/repository/backend/__init__.py | 8 + aiida/repository/backend/abstract.py | 92 +++ aiida/repository/backend/disk_object_store.py | 69 +++ aiida/repository/backend/sandbox.py | 88 +++ aiida/repository/common.py | 106 ++-- aiida/repository/repository.py | 440 ++++++++++++++ docs/source/nitpick-exceptions | 3 + docs/source/topics/data_types.rst | 8 +- environment.yml | 1 + requirements/requirements-py-3.7.txt | 1 + requirements/requirements-py-3.8.txt | 1 + requirements/requirements-py-3.9.txt | 1 + setup.json | 1 + tests/repository/__init__.py | 0 tests/repository/backend/__init__.py | 0 tests/repository/backend/test_abstract.py | 68 +++ .../backend/test_disk_object_store.py | 98 +++ tests/repository/backend/test_sandbox.py | 107 ++++ tests/repository/conftest.py | 61 ++ tests/repository/test_common.py | 109 ++++ tests/repository/test_repository.py | 562 ++++++++++++++++++ 22 files changed, 1783 insertions(+), 45 deletions(-) create mode 100644 aiida/repository/backend/__init__.py create mode 100644 aiida/repository/backend/abstract.py create mode 100644 aiida/repository/backend/disk_object_store.py create mode 100644 aiida/repository/backend/sandbox.py create mode 100644 aiida/repository/repository.py create mode 100644 tests/repository/__init__.py create mode 100644 tests/repository/backend/__init__.py create mode 100644 tests/repository/backend/test_abstract.py create mode 100644 tests/repository/backend/test_disk_object_store.py create mode 100644 tests/repository/backend/test_sandbox.py create mode 100644 tests/repository/conftest.py create mode 100644 tests/repository/test_common.py create mode 100644 tests/repository/test_repository.py diff --git a/aiida/repository/__init__.py b/aiida/repository/__init__.py index 1ccf31a99e..2f8ec80902 100644 --- a/aiida/repository/__init__.py +++ b/aiida/repository/__init__.py @@ -9,6 +9,8 @@ ########################################################################### """Module with resources dealing with the file repository.""" # pylint: disable=undefined-variable +from .backend import * from .common import * +from .repository import * -__all__ = (common.__all__) +__all__ = (backend.__all__ + common.__all__ + repository.__all__) diff --git a/aiida/repository/backend/__init__.py b/aiida/repository/backend/__init__.py new file mode 100644 index 0000000000..b20d6ca9fc --- /dev/null +++ b/aiida/repository/backend/__init__.py @@ -0,0 +1,8 @@ +# -*- coding: utf-8 -*- +# pylint: disable=undefined-variable +"""Module for file repository backend implementations.""" +from .abstract import * +from .disk_object_store import * +from .sandbox import * + +__all__ = (abstract.__all__ + disk_object_store.__all__ + sandbox.__all__) diff --git a/aiida/repository/backend/abstract.py b/aiida/repository/backend/abstract.py new file mode 100644 index 0000000000..fdb8733938 --- /dev/null +++ b/aiida/repository/backend/abstract.py @@ -0,0 +1,92 @@ +# -*- coding: utf-8 -*- +"""Class that defines the abstract interface for an object repository. + +The scope of this class is intentionally very narrow. Any backend implementation should merely provide the methods to +store binary blobs, or "objects", and return a string-based key that unique identifies the object that was just created. +This key should then be able to be used to retrieve the bytes of the corresponding object or to delete it. +""" +import abc +import contextlib +import io +import pathlib +import typing + +__all__ = ('AbstractRepositoryBackend',) + + +class AbstractRepositoryBackend(metaclass=abc.ABCMeta): + """Class that defines the abstract interface for an object repository. + + The repository backend only deals with raw bytes, both when creating new objects as well as when returning a stream + or the content of an existing object. The encoding and decoding of the byte content should be done by the client + upstream. The file repository backend is also not expected to keep any kind of file hierarchy but must be assumed + to be a simple flat data store. When files are created in the file object repository, the implementation will return + a string-based key with which the content of the stored object can be addressed. This key is guaranteed to be unique + and persistent. Persisting the key or mapping it onto a virtual file hierarchy is again up to the client upstream. + """ + + @staticmethod + def is_readable_byte_stream(handle): + return hasattr(handle, 'read') and hasattr(handle, 'mode') and 'b' in handle.mode + + def put_object_from_filelike(self, handle: io.BufferedIOBase) -> str: + """Store the byte contents of a file in the repository. + + :param handle: filelike object with the byte content to be stored. + :return: the generated fully qualified identifier for the object within the repository. + """ + if not isinstance(handle, io.BytesIO) and not self.is_readable_byte_stream(handle): + raise TypeError(f'handle does not seem to be a byte stream: {type(handle)}.') + + def put_object_from_file(self, filepath: typing.Union[str, pathlib.Path]) -> str: + """Store a new object with contents of the file located at `filepath` on this file system. + + :param filepath: absolute path of file whose contents to copy to the repository. + :return: the generated fully qualified identifier for the object within the repository. + :raises TypeError: if the handle is not a byte stream. + """ + with open(filepath, mode='rb') as handle: + return self.put_object_from_filelike(handle) + + @abc.abstractmethod + def has_object(self, key: str) -> bool: + """Return whether the repository has an object with the given key. + + :param key: fully qualified identifier for the object within the repository. + :return: True if the object exists, False otherwise. + """ + + @contextlib.contextmanager + def open(self, key: str) -> io.BufferedIOBase: + """Open a file handle to an object stored under the given key. + + .. note:: this should only be used to open a handle to read an existing file. To write a new file use the method + ``put_object_from_filelike`` instead. + + :param key: fully qualified identifier for the object within the repository. + :return: yield a byte stream object. + :raise FileNotFoundError: if the file does not exist. + :raise OSError: if the file could not be opened. + """ + if not self.has_object(key): + raise FileNotFoundError(f'object with key `{key}` does not exist.') + + def get_object_content(self, key: str) -> bytes: + """Return the content of a object identified by key. + + :param key: fully qualified identifier for the object within the repository. + :raise FileNotFoundError: if the file does not exist. + :raise OSError: if the file could not be opened. + """ + with self.open(key) as handle: + return handle.read() + + def delete_object(self, key: str): + """Delete the object from the repository. + + :param key: fully qualified identifier for the object within the repository. + :raise FileNotFoundError: if the file does not exist. + :raise OSError: if the file could not be deleted. + """ + if not self.has_object(key): + raise FileNotFoundError(f'object with key `{key}` does not exist.') diff --git a/aiida/repository/backend/disk_object_store.py b/aiida/repository/backend/disk_object_store.py new file mode 100644 index 0000000000..cdae34c0d0 --- /dev/null +++ b/aiida/repository/backend/disk_object_store.py @@ -0,0 +1,69 @@ +# -*- coding: utf-8 -*- +"""Implementation of the ``AbstractRepositoryBackend`` using the ``disk-objectstore`` as the backend.""" +import contextlib +import io + +from disk_objectstore import Container + +from aiida.common.lang import type_check + +from .abstract import AbstractRepositoryBackend + +__all__ = ('DiskObjectStoreRepositoryBackend',) + + +class DiskObjectStoreRepositoryBackend(AbstractRepositoryBackend): + """Implementation of the ``AbstractRepositoryBackend`` using the ``disk-object-store`` as the backend.""" + + def __init__(self, container): + type_check(container, Container) + self._container = container + + @property + def container(self): + return self._container + + def put_object_from_filelike(self, handle: io.BufferedIOBase) -> str: + """Store the byte contents of a file in the repository. + + :param handle: filelike object with the byte content to be stored. + :return: the generated fully qualified identifier for the object within the repository. + :raises TypeError: if the handle is not a byte stream. + """ + super().put_object_from_filelike(handle) + return self.container.add_object(handle.read()) + + def has_object(self, key: str) -> bool: + """Return whether the repository has an object with the given key. + + :param key: fully qualified identifier for the object within the repository. + :return: True if the object exists, False otherwise. + """ + return self.container.has_object(key) + + @contextlib.contextmanager + def open(self, key: str) -> io.BufferedIOBase: + """Open a file handle to an object stored under the given key. + + .. note:: this should only be used to open a handle to read an existing file. To write a new file use the method + ``put_object_from_filelike`` instead. + + :param key: fully qualified identifier for the object within the repository. + :return: yield a byte stream object. + :raise FileNotFoundError: if the file does not exist. + :raise OSError: if the file could not be opened. + """ + super().open(key) + + with self.container.get_object_stream(key) as handle: + yield handle + + def delete_object(self, key: str): + """Delete the object from the repository. + + :param key: fully qualified identifier for the object within the repository. + :raise FileNotFoundError: if the file does not exist. + :raise OSError: if the file could not be deleted. + """ + super().delete_object(key) + self.container.delete_objects([key]) diff --git a/aiida/repository/backend/sandbox.py b/aiida/repository/backend/sandbox.py new file mode 100644 index 0000000000..ef4df9f849 --- /dev/null +++ b/aiida/repository/backend/sandbox.py @@ -0,0 +1,88 @@ +# -*- coding: utf-8 -*- +"""Implementation of the ``AbstractRepositoryBackend`` using a sandbox folder on disk as the backend.""" +import contextlib +import io +import os +import shutil +import uuid + +from .abstract import AbstractRepositoryBackend + +__all__ = ('SandboxRepositoryBackend',) + + +class SandboxRepositoryBackend(AbstractRepositoryBackend): + """Implementation of the ``AbstractRepositoryBackend`` using a sandbox folder on disk as the backend.""" + + def __init__(self): + self._sandbox = None + + def __del__(self): + """Delete the entire sandbox folder if it was instantiated and still exists.""" + if getattr(self, '_sandbox', None) is not None: + try: + shutil.rmtree(self.sandbox.abspath) + except FileNotFoundError: + pass + + @property + def sandbox(self): + """Return the sandbox instance of this repository.""" + from aiida.common.folders import SandboxFolder + + if self._sandbox is None: + self._sandbox = SandboxFolder() + + return self._sandbox + + def put_object_from_filelike(self, handle: io.BufferedIOBase) -> str: + """Store the byte contents of a file in the repository. + + :param handle: filelike object with the byte content to be stored. + :return: the generated fully qualified identifier for the object within the repository. + :raises TypeError: if the handle is not a byte stream. + """ + super().put_object_from_filelike(handle) + + key = str(uuid.uuid4()) + filepath = os.path.join(self.sandbox.abspath, key) + + with open(filepath, 'wb') as target: + shutil.copyfileobj(handle, target) + + return key + + def has_object(self, key: str) -> bool: + """Return whether the repository has an object with the given key. + + :param key: fully qualified identifier for the object within the repository. + :return: True if the object exists, False otherwise. + """ + return key in os.listdir(self.sandbox.abspath) + + @contextlib.contextmanager + def open(self, key: str) -> io.BufferedIOBase: + """Open a file handle to an object stored under the given key. + + .. note:: this should only be used to open a handle to read an existing file. To write a new file use the method + ``put_object_from_filelike`` instead. + + :param key: fully qualified identifier for the object within the repository. + :return: yield a byte stream object. + :raise FileNotFoundError: if the file does not exist. + :raise OSError: if the file could not be opened. + """ + super().open(key) + + with self.sandbox.open(key, mode='rb') as handle: + yield handle + + def delete_object(self, key: str): + """Delete the object from the repository. + + :param key: fully qualified identifier for the object within the repository. + :raise FileNotFoundError: if the file does not exist. + :raise OSError: if the file could not be deleted. + """ + super().delete_object(key) + os.remove(os.path.join(self.sandbox.abspath, key)) diff --git a/aiida/repository/common.py b/aiida/repository/common.py index f9dee05b0c..3821b686f5 100644 --- a/aiida/repository/common.py +++ b/aiida/repository/common.py @@ -7,14 +7,11 @@ # For further information on the license, see the LICENSE.txt file # # For further information please visit http://www.aiida.net # ########################################################################### -# pylint: disable=redefined-builtin """Module with resources common to the repository.""" import enum -import warnings +import typing -from aiida.common.warnings import AiidaDeprecationWarning - -__all__ = ('File', 'FileType') +__all__ = ('FileType', 'File') class FileType(enum.Enum): @@ -24,59 +21,88 @@ class FileType(enum.Enum): FILE = 1 -class File: +class File(): """Data class representing a file object.""" - def __init__(self, name: str = '', file_type: FileType = FileType.DIRECTORY, type=None): - """ - - .. deprecated:: 1.4.0 - The argument `type` has been deprecated and will be removed in `v2.0.0`, use `file_type` instead. - """ - if type is not None: - warnings.warn( - 'argument `type` is deprecated and will be removed in `v2.0.0`. Use `file_type` instead.', - AiidaDeprecationWarning - ) # pylint: disable=no-member""" - file_type = type - + def __init__( + self, + name: str = '', + file_type: FileType = FileType.DIRECTORY, + key: typing.Union[str, None] = None, + objects: typing.Dict[str, 'File'] = None + ): if not isinstance(name, str): raise TypeError('name should be a string.') if not isinstance(file_type, FileType): raise TypeError('file_type should be an instance of `FileType`.') + if key is not None and not isinstance(key, str): + raise TypeError('key should be `None` or a string.') + + if objects is not None and any([not isinstance(obj, self.__class__) for obj in objects.values()]): + raise TypeError('objects should be `None` or a dictionary of `File` instances.') + self._name = name self._file_type = file_type + self._key = key + self._objects = objects or {} + + @classmethod + def from_serialized(cls, serialized: dict) -> 'File': + """Construct a new instance from a serialized instance. + + :param serialized: the serialized instance. + :return: the reconstructed file object. + """ + objects = {name: File.from_serialized(obj) for name, obj in serialized['objects'].items()} + instance = cls.__new__(cls) + instance.__init__(serialized['name'], FileType(serialized['file_type']), serialized['key'], objects) + return instance + + def serialize(self) -> dict: + """Serialize the metadata into a JSON-serializable format. + + :return: dictionary with the content metadata. + """ + return { + 'name': self.name, + 'file_type': self.file_type.value, + 'key': self.key, + 'objects': {key: obj.serialize() for key, obj in self.objects.items()}, + } @property def name(self) -> str: """Return the name of the file object.""" return self._name - @property - def type(self) -> FileType: - """Return the file type of the file object. - - .. deprecated:: 1.4.0 - Will be removed in `v2.0.0`, use `file_type` instead. - """ - warnings.warn('property is deprecated, use `file_type` instead', AiidaDeprecationWarning) # pylint: disable=no-member""" - return self.file_type - @property def file_type(self) -> FileType: """Return the file type of the file object.""" return self._file_type - def __iter__(self): - """Iterate over the properties.""" - warnings.warn( - '`File` has changed from named tuple into class and from `v2.0.0` will no longer be iterable', - AiidaDeprecationWarning - ) - yield self.name - yield self.file_type - - def __eq__(self, other): - return self.file_type == other.file_type and self.name == other.name + @property + def key(self) -> typing.Union[str, None]: + """Return the key of the file object.""" + return self._key + + @property + def objects(self) -> typing.Dict[str, 'File']: + """Return the objects of the file object.""" + return self._objects + + def __eq__(self, other) -> bool: + """Return whether this instance is equal to another file object instance.""" + if not isinstance(other, self.__class__): + return False + + equal_attributes = all([getattr(self, key) == getattr(other, key) for key in ['name', 'file_type', 'key']]) + equal_object_keys = list(self.objects) == list(other.objects) + equal_objects = equal_object_keys and all([obj == other.objects[key] for key, obj in self.objects.items()]) + + return equal_attributes and equal_objects + + def __repr__(self): + args = (self.name, self.file_type.value, self.key, list(self.objects.keys())) + return 'File'.format(*args) diff --git a/aiida/repository/repository.py b/aiida/repository/repository.py new file mode 100644 index 0000000000..67929e14d8 --- /dev/null +++ b/aiida/repository/repository.py @@ -0,0 +1,440 @@ +# -*- coding: utf-8 -*- +"""Module for the implementation of a file repository.""" +import contextlib +import io +import pathlib +import typing + +from aiida.common.hashing import make_hash +from aiida.common.lang import type_check + +from .backend import AbstractRepositoryBackend, SandboxRepositoryBackend +from .common import File, FileType + +__all__ = ('Repository',) + +FilePath = typing.Union[str, pathlib.Path] + + +class Repository: + """File repository. + + This class provides an interface to a backend file repository instance, but unlike the backend repository, this + class keeps a reference of the virtual file hierarchy. This means that through this interface, a client can create + files and directories with a file hierarchy, just as they would on a local file system, except it is completely + virtual as the files are stored by the backend which can store them in a completely flat structure. This also means + that the internal virtual hierarchy of a ``Repository`` instance does not necessarily represent all the files that + are stored by repository backend. The repository exposes a mere subset of all the file objects stored in the + backend. This is why object deletion is also implemented as a soft delete, by default, where the files are just + removed from the internal virtual hierarchy, but not in the actual backend. This is because those objects can be + referenced by other instances. + """ + + # pylint: disable=too-many-public-methods + + _backend = None + + def __init__(self, backend: AbstractRepositoryBackend = None): + """Construct a new instance with empty metadata. + + :param backend: instance of repository backend to use to actually store the file objects. By default, an + instance of the ``SandboxRepositoryBackend`` will be created. + """ + if backend is None: + backend = SandboxRepositoryBackend() + + self.set_backend(backend) + self._directory = File() + + @classmethod + def from_serialized(cls, backend: AbstractRepositoryBackend, serialized: typing.Dict) -> 'Repository': + """Construct an instance where the metadata is initialized from the serialized content. + + :param backend: instance of repository backend to use to actually store the file objects. + """ + instance = cls.__new__(cls) + instance.__init__(backend) + + if serialized: + for name, obj in serialized['objects'].items(): + instance.get_directory().objects[name] = File.from_serialized(obj) + + return instance + + def serialize(self) -> typing.Dict: + """Serialize the metadata into a JSON-serializable format. + + :return: dictionary with the content metadata. + """ + return self._directory.serialize() + + def hash(self) -> str: + """Generate a hash of the repository's contents. + + .. warning:: this will read the content of all file objects contained within the virtual hierarchy into memory. + + :return: the hash representing the contents of the repository. + """ + objects = {} + for root, dirnames, filenames in self.walk(): + objects['__dirnames__'] = dirnames + for filename in filenames: + with self.open(root / filename) as handle: + objects[str(root / filename)] = handle.read() + + return make_hash(objects) + + @staticmethod + def _pre_process_path(path: FilePath = None) -> typing.Union[pathlib.Path, None]: + """Validate and convert the path to instance of ``pathlib.Path``. + + This should be called by every method of this class before doing anything, such that it can safely assume that + the path is a ``pathlib.Path`` object, which makes path manipulation a lot easier. + + :param path: the path as a ``pathlib.Path`` object or `None`. + :raises TypeError: if the type of path was not a str nor a ``pathlib.Path`` instance. + """ + if path is None: + return pathlib.Path() + + if isinstance(path, str): + path = pathlib.Path(path) + + if not isinstance(path, pathlib.Path): + raise TypeError('path is not of type `str` nor `pathlib.Path`.') + + if path.is_absolute(): + raise TypeError(f'path `{path}` is not a relative path.') + + return path + + @property + def backend(self) -> AbstractRepositoryBackend: + """Return the current repository backend. + + :return: the repository backend. + """ + return self._backend + + def set_backend(self, backend: AbstractRepositoryBackend): + """Set the backend for this repository. + + :param backend: the repository backend. + :raises TypeError: if the type of the backend is invalid. + """ + type_check(backend, AbstractRepositoryBackend) + self._backend = backend + + def _insert_file(self, path: pathlib.Path, key: str): + """Insert a new file object in the object mapping. + + .. note:: this assumes the path is a valid relative path, so should be checked by the caller. + + :param path: the relative path where to store the object in the repository. + :param key: fully qualified identifier for the object within the repository. + """ + if path.parent: + directory = self.create_directory(path.parent) + else: + directory = self.get_directory + + directory.objects[path.name] = File(path.name, FileType.FILE, key) + + def create_directory(self, path: FilePath) -> File: + """Create a new directory with the given path. + + :param path: the relative path of the directory. + :return: the created directory. + :raises TypeError: if the path is not a string or ``Path``, or is an absolute path. + """ + if path is None: + raise TypeError('path cannot be `None`.') + + path = self._pre_process_path(path) + directory = self._directory + + for part in path.parts: + if part not in directory.objects: + directory.objects[part] = File(part) + + directory = directory.objects[part] + + return directory + + def get_hash_keys(self) -> typing.List[str]: + """Return the hash keys of all file objects contained within this repository. + + :return: list of file object hash keys. + """ + hash_keys = [] + + def add_hash_keys(keys, objects): + """Recursively add keys of all file objects to the keys list.""" + for obj in objects.values(): + if obj.file_type == FileType.FILE and obj.key is not None: + keys.append(obj.key) + elif obj.file_type == FileType.DIRECTORY: + add_hash_keys(keys, obj.objects) + + add_hash_keys(hash_keys, self._directory.objects) + + return hash_keys + + def get_object(self, path: FilePath = None) -> File: + """Return the object at the given path. + + :param path: the relative path where to store the object in the repository. + :return: the `File` representing the object located at the given relative path. + :raises TypeError: if the path is not a string or ``Path``, or is an absolute path. + :raises FileNotFoundError: if no object exists for the given path. + """ + path = self._pre_process_path(path) + file_object = self._directory + + if not path.parts: + return file_object + + for part in path.parts: + if part not in file_object.objects: + raise FileNotFoundError(f'object with path `{path}` does not exist.') + + file_object = file_object.objects[part] + + return file_object + + def get_directory(self, path: FilePath = None) -> File: + """Return the directory object at the given path. + + :param path: the relative path of the directory. + :return: the `File` representing the object located at the given relative path. + :raises TypeError: if the path is not a string or ``Path``, or is an absolute path. + :raises FileNotFoundError: if no object exists for the given path. + :raises NotADirectoryError: if the object at the given path is not a directory. + """ + file_object = self.get_object(path) + + if file_object.file_type != FileType.DIRECTORY: + raise NotADirectoryError(f'object with path `{path}` is not a directory.') + + return file_object + + def get_file(self, path: FilePath) -> File: + """Return the file object at the given path. + + :param path: the relative path of the file object. + :return: the `File` representing the object located at the given relative path. + :raises TypeError: if the path is not a string or ``Path``, or is an absolute path. + :raises FileNotFoundError: if no object exists for the given path. + :raises IsADirectoryError: if the object at the given path is not a directory. + """ + if path is None: + raise TypeError('path cannot be `None`.') + + path = self._pre_process_path(path) + + file_object = self.get_object(path) + + if file_object.file_type != FileType.FILE: + raise IsADirectoryError(f'object with path `{path}` is not a file.') + + return file_object + + def list_objects(self, path: FilePath = None) -> typing.List[File]: + """Return a list of the objects contained in this repository sorted by name, optionally in given sub directory. + + :param path: the relative path of the directory. + :return: a list of `File` named tuples representing the objects present in directory with the given path. + :raises TypeError: if the path is not a string or ``Path``, or is an absolute path. + :raises FileNotFoundError: if no object exists for the given path. + :raises NotADirectoryError: if the object at the given path is not a directory. + """ + directory = self.get_directory(path) + return sorted(directory.objects.values(), key=lambda obj: obj.name) + + def list_object_names(self, path: FilePath = None) -> typing.List[str]: + """Return a sorted list of the object names contained in this repository, optionally in the given sub directory. + + :param path: the relative path of the directory. + :return: a list of `File` named tuples representing the objects present in directory with the given path. + :raises TypeError: if the path is not a string or ``Path``, or is an absolute path. + :raises FileNotFoundError: if no object exists for the given path. + :raises NotADirectoryError: if the object at the given path is not a directory. + """ + return [entry.name for entry in self.list_objects(path)] + + def put_object_from_filelike(self, handle: io.BufferedReader, path: FilePath): + """Store the byte contents of a file in the repository. + + :param handle: filelike object with the byte content to be stored. + :param path: the relative path where to store the object in the repository. + :raises TypeError: if the path is not a string or ``Path``, or is an absolute path. + """ + path = self._pre_process_path(path) + key = self.backend.put_object_from_filelike(handle) + self._insert_file(path, key) + + def put_object_from_file(self, filepath: FilePath, path: FilePath): + """Store a new object under `path` with contents of the file located at `filepath` on the local file system. + + :param filepath: absolute path of file whose contents to copy to the repository + :param path: the relative path where to store the object in the repository. + :raises TypeError: if the path is not a string and relative path, or the handle is not a byte stream. + """ + with open(filepath, 'rb') as handle: + self.put_object_from_filelike(handle, path) + + def put_object_from_tree(self, filepath: FilePath, path: FilePath = None): + """Store the entire contents of `filepath` on the local file system in the repository with under given `path`. + + :param filepath: absolute path of the directory whose contents to copy to the repository. + :param path: the relative path where to store the objects in the repository. + :raises TypeError: if the filepath is not a string or ``Path``, or is a relative path. + :raises TypeError: if the path is not a string or ``Path``, or is an absolute path. + """ + import os + + path = self._pre_process_path(path) + + if isinstance(filepath, str): + filepath = pathlib.Path(filepath) + + if not isinstance(filepath, pathlib.Path): + raise TypeError(f'filepath `{filepath}` is not of type `str` nor `pathlib.Path`.') + + if not filepath.is_absolute(): + raise TypeError(f'filepath `{filepath}` is not an absolute path.') + + # Explicitly create the base directory if specified by `path`, just in case `filepath` contains no file objects. + if path.parts: + self.create_directory(path) + + for root, dirnames, filenames in os.walk(filepath): + + root = pathlib.Path(root) + + for dirname in dirnames: + self.create_directory(path / root.relative_to(filepath) / dirname) + + for filename in filenames: + self.put_object_from_file(root / filename, path / root.relative_to(filepath) / filename) + + def is_empty(self) -> bool: + """Return whether the repository is empty. + + :return: True if the repository contains no file objects. + """ + return not self._directory.objects + + def has_object(self, path: FilePath) -> bool: + """Return whether the repository has an object with the given path. + + :param path: the relative path of the object within the repository. + :return: True if the object exists, False otherwise. + :raises TypeError: if the path is not a string or ``Path``, or is an absolute path. + """ + try: + self.get_object(path) + except FileNotFoundError: + return False + else: + return True + + @contextlib.contextmanager + def open(self, path: FilePath) -> io.BufferedReader: + """Open a file handle to an object stored under the given path. + + .. note:: this should only be used to open a handle to read an existing file. To write a new file use the method + ``put_object_from_filelike`` instead. + + :param path: the relative path of the object within the repository. + :return: yield a byte stream object. + :raises TypeError: if the path is not a string or ``Path``, or is an absolute path. + :raises FileNotFoundError: if the file does not exist. + :raises IsADirectoryError: if the object is a directory and not a file. + :raises OSError: if the file could not be opened. + """ + with self.backend.open(self.get_file(path).key) as handle: + yield handle + + def get_object_content(self, path: FilePath) -> bytes: + """Return the content of a object identified by path. + + :param path: the relative path of the object within the repository. + :raises TypeError: if the path is not a string or ``Path``, or is an absolute path. + :raises FileNotFoundError: if the file does not exist. + :raises IsADirectoryError: if the object is a directory and not a file. + :raises OSError: if the file could not be opened. + """ + return self.backend.get_object_content(self.get_file(path).key) + + def delete_object(self, path: FilePath, hard_delete: bool = False): + """Soft delete the object from the repository. + + .. note:: can only delete file objects, but not directories. + + :param path: the relative path of the object within the repository. + :param hard_delete: when true, not only remove the file from the internal mapping but also call through to the + ``delete_object`` method of the actual repository backend. + :raises TypeError: if the path is not a string or ``Path``, or is an absolute path. + :raises FileNotFoundError: if the file does not exist. + :raises IsADirectoryError: if the object is a directory and not a file. + :raises OSError: if the file could not be deleted. + """ + path = self._pre_process_path(path) + file_object = self.get_object(path) + + if file_object.file_type == FileType.DIRECTORY: + raise IsADirectoryError(f'object with path `{path}` is a directory.') + + if hard_delete: + self.backend.delete_object(file_object.key) + + directory = self.get_directory(path.parent) + directory.objects.pop(path.name) + + def erase(self): + """Delete all objects from the repository. + + .. important: this intentionally does not call through to any ``erase`` method of the backend, because unlike + this class, the backend does not just store the objects of a single node, but potentially of a lot of other + nodes. Therefore, we manually delete all file objects and then simply reset the internal file hierarchy. + + """ + for hash_key in self.get_hash_keys(): + self.backend.delete_object(hash_key) + self._directory = File() + + def clone(self, source: 'Repository'): + """Clone the contents of another repository instance.""" + if not isinstance(source, Repository): + raise TypeError('source is not an instance of `Repository`.') + + for root, dirnames, filenames in source.walk(): + for dirname in dirnames: + self.create_directory(root / dirname) + for filename in filenames: + with source.open(root / filename) as handle: + self.put_object_from_filelike(handle, root / filename) + + def walk(self, path: FilePath = None) -> typing.Tuple[pathlib.Path, typing.List[str], typing.List[str]]: + """Walk over the directories and files contained within this repository. + + .. note:: the order of the dirname and filename lists that are returned is not necessarily sorted. This is in + line with the ``os.walk`` implementation where the order depends on the underlying file system used. + + :param path: the relative path of the directory within the repository whose contents to walk. + :return: tuples of root, dirnames and filenames just like ``os.walk``, with the exception that the root path is + always relative with respect to the repository root, instead of an absolute path and it is an instance of + ``pathlib.Path`` instead of a normal string + """ + path = self._pre_process_path(path) + + directory = self.get_directory(path) + dirnames = [obj.name for obj in directory.objects.values() if obj.file_type == FileType.DIRECTORY] + filenames = [obj.name for obj in directory.objects.values() if obj.file_type == FileType.FILE] + + if dirnames: + for dirname in dirnames: + yield from self.walk(path / dirname) + + yield path, dirnames, filenames diff --git a/docs/source/nitpick-exceptions b/docs/source/nitpick-exceptions index 06635a95c4..df9ba35a7b 100644 --- a/docs/source/nitpick-exceptions +++ b/docs/source/nitpick-exceptions @@ -24,6 +24,7 @@ py:class EntityType py:class function py:class IO py:class traceback +py:class _io.BufferedReader ### AiiDA @@ -106,6 +107,8 @@ py:class IPython.core.magic.Magics py:class HTMLParser.HTMLParser py:class html.parser.HTMLParser +py:class disk_objectstore.container.Container + py:class django.contrib.auth.base_user.AbstractBaseUser py:class django.contrib.auth.base_user.BaseUserManager py:class django.contrib.auth.models.AbstractBaseUser diff --git a/docs/source/topics/data_types.rst b/docs/source/topics/data_types.rst index 4660a578d2..2edc01a5b8 100644 --- a/docs/source/topics/data_types.rst +++ b/docs/source/topics/data_types.rst @@ -264,14 +264,14 @@ or from `file-like objects typing.Callable: + """Construct a temporary directory with some arbitrary file hierarchy in it.""" + + def _generate_directory(metadata: dict = None) -> pathlib.Path: + """Construct the contents of the temporary directory based on the metadata mapping. + + :param: file object hierarchy to construct. Each key corresponds to either a directory or file to create. If the + value is a dictionary a directory is created with the name of the key. Otherwise it is assumed to be a file. + The value should be the byte string that should be written to file or `None` if the file should be empty. + Example metadata: + + { + 'relative': { + 'empty_folder': {}, + 'empty_file': None, + 'filename': b'content', + } + } + + will yield a directory with the following file hierarchy: + + relative + └── empty_folder + | └── + └── empty_file + └── filename + + + :return: the path to the temporary directory + """ + if metadata is None: + metadata = {} + + def create_files(basepath: pathlib.Path, data: dict): + """Construct the files in data at the given basepath.""" + for key, values in data.items(): + if isinstance(values, dict): + dirpath = os.path.join(basepath, key) + os.makedirs(dirpath, exist_ok=True) + create_files(dirpath, values) + else: + filepath = os.path.join(basepath, key) + with open(filepath, 'wb') as handle: + if values is not None: + handle.write(values) + + create_files(tmp_path, metadata) + + return pathlib.Path(tmp_path) + + return _generate_directory diff --git a/tests/repository/test_common.py b/tests/repository/test_common.py new file mode 100644 index 0000000000..604e137253 --- /dev/null +++ b/tests/repository/test_common.py @@ -0,0 +1,109 @@ +# -*- coding: utf-8 -*- +# pylint: disable=redefined-outer-name +"""Tests for the :mod:`aiida.repository.common` module.""" +import pytest + +from aiida.repository import File, FileType + + +@pytest.fixture +def file_object() -> File: + """Test fixture to create and return a ``File`` instance.""" + name = 'relative' + file_type = FileType.FILE + key = 'abcdef' + objects = {'sub': File()} + return File(name, file_type, key, objects) + + +def test_constructor(): + """Test the constructor defaults.""" + file_object = File() + assert file_object.name == '' + assert file_object.file_type == FileType.DIRECTORY + assert file_object.key is None + assert file_object.objects == {} + + +def test_constructor_kwargs(file_object: File): + """Test the constructor specifying specific keyword arguments.""" + name = 'relative' + file_type = FileType.FILE + key = 'abcdef' + objects = {'sub': File()} + file_object = File(name, file_type, key, objects) + + assert file_object.name == 'relative' + assert file_object.file_type == FileType.FILE + assert file_object.key == 'abcdef' + assert file_object.objects == objects + + +def test_constructor_kwargs_invalid(): + """Test the constructor specifying invalid keyword arguments.""" + name = 'relative' + file_type = FileType.FILE + key = 'abcdef' + objects = {'sub': File()} + + with pytest.raises(TypeError): + File(None, file_type, key, objects) + + with pytest.raises(TypeError): + File(name, None, key, objects) + + with pytest.raises(TypeError): + File(name, file_type, 123, objects) + + with pytest.raises(TypeError): + File(name, file_type, key, {'sub': File, 'wrong': 'type'}) + + +def test_serialize(file_object: File): + """Test the ``File.serialize`` method.""" + expected = { + 'name': file_object.name, + 'file_type': file_object.file_type.value, + 'key': file_object.key, + 'objects': { + 'sub': { + 'name': '', + 'file_type': FileType.DIRECTORY.value, + 'key': None, + 'objects': {}, + } + } + } + + assert file_object.serialize() == expected + + +def test_serialize_roundtrip(file_object: File): + """Test the serialization round trip.""" + serialized = file_object.serialize() + reconstructed = File.from_serialized(serialized) + + assert isinstance(reconstructed, File) + assert file_object == reconstructed + + +def test_eq(): + """Test the ``File.__eq__`` method.""" + file_object = File() + + # Identity operation + assert file_object == file_object # pylint: disable=comparison-with-itself + + # Identical default copy + assert file_object == File() + + # Identical copy with different arguments + assert File(name='custom', file_type=FileType.FILE) == File(name='custom', file_type=FileType.FILE) + + # Identical copies with nested objects + assert File(objects={'sub': File()}) == File(objects={'sub': File()}) + + assert file_object != File(name='custom') + assert file_object != File(file_type=FileType.FILE) + assert file_object != File(key='123456') + assert file_object != File(objects={'sub': File()}) diff --git a/tests/repository/test_repository.py b/tests/repository/test_repository.py new file mode 100644 index 0000000000..32b9e29d34 --- /dev/null +++ b/tests/repository/test_repository.py @@ -0,0 +1,562 @@ +# -*- coding: utf-8 -*- +# pylint: disable=redefined-outer-name,invalid-name +"""Tests for the :mod:`aiida.repository.repository` module.""" +import contextlib +import io +import pathlib +import tempfile + +import pytest + +from aiida.repository import Repository, File, FileType +from aiida.repository.backend import SandboxRepositoryBackend, DiskObjectStoreRepositoryBackend + + +@contextlib.contextmanager +def get_sandbox_backend() -> SandboxRepositoryBackend: + """Return an instance of the sandbox repository backend.""" + yield SandboxRepositoryBackend() + + +@contextlib.contextmanager +def get_disk_object_store_backend() -> DiskObjectStoreRepositoryBackend: + """Return an instance of the disk object store repository backend.""" + from disk_objectstore import Container + + with tempfile.TemporaryDirectory() as dirpath: + container = Container(dirpath) + container.init_container() + yield DiskObjectStoreRepositoryBackend(container=container) + + +@pytest.fixture(scope='function', params=[get_sandbox_backend, get_disk_object_store_backend]) +def repository(request) -> Repository: + """Return an instance of ``aiida.repository.Repository`` with one of the available repository backends. + + By parametrizing this fixture over the available ``AbstractRepositoryBackend`` implementations, all tests below that + act on a repository instance, will automatically get tested for all available backends. + """ + with request.param() as backend: + yield Repository(backend=backend) + + +def test_pre_process_path(): + """Test the ``Repository.pre_process_path`` classmethod.""" + # pylint: disable=protected-access + + with pytest.raises(TypeError, match=r'path is not of type `str` nor `pathlib.Path`.'): + Repository._pre_process_path(path=1) + + with pytest.raises(TypeError, match=r'path `.*` is not a relative path.'): + Repository._pre_process_path(path=pathlib.Path('/absolute/path')) + + with pytest.raises(TypeError, match=r'path `.*` is not a relative path.'): + Repository._pre_process_path(path='/absolute/path') + + assert Repository._pre_process_path(None) == pathlib.Path() + assert Repository._pre_process_path('relative') == pathlib.Path('relative') + assert Repository._pre_process_path('relative/nested') == pathlib.Path('relative/nested') + assert Repository._pre_process_path(pathlib.Path('relative')) == pathlib.Path('relative') + assert Repository._pre_process_path(pathlib.Path('relative/nested')) == pathlib.Path('relative/nested') + + +def test_create_directory_raises(repository): + """Test the ``Repository.create_directory`` method when it is supposed to raise.""" + with pytest.raises(TypeError, match=r'path cannot be `None`.'): + repository.create_directory(None) + + with pytest.raises(TypeError, match=r'path `.*` is not a relative path.'): + repository.create_directory('/absolute/path') + + +def test_create_directory(repository): + """Test the ``Repository.create_directory`` method.""" + repository.create_directory('path') + assert repository.list_object_names() == ['path'] + + # Creating subfolder in existing directory + repository.create_directory('path/sub') + assert repository.list_object_names() == ['path'] + assert repository.list_object_names('path') == ['sub'] + + # Creating nested folder in one shot + repository.create_directory('nested/dir') + assert repository.list_object_names() == ['nested', 'path'] + assert repository.list_object_names('nested') == ['dir'] + + +def test_get_hash_keys(repository, generate_directory): + """Test the ``Repository.get_hash_keys`` method.""" + directory = generate_directory({'file_a': b'content_a', 'relative': {'file_b': b'content_b'}}) + + assert repository.get_hash_keys() == [] + + with open(directory / 'file_a', 'rb') as handle: + repository.put_object_from_filelike(handle, 'file_a') + + with open(directory / 'relative/file_b', 'rb') as handle: + repository.put_object_from_filelike(handle, 'relative/file_b') + + hash_keys = [repository.get_object('file_a').key, repository.get_object('relative/file_b').key] + + assert sorted(repository.get_hash_keys()) == sorted(hash_keys) + + +def test_get_object_raises(repository): + """Test the ``Repository.get_object`` method when it is supposed to raise.""" + with pytest.raises(TypeError, match=r'path `.*` is not a relative path.'): + repository.get_object('/absolute/path') + + with pytest.raises(FileNotFoundError, match=r'object with path `.*` does not exist.'): + repository.get_object('non_existing_folder/file_a') + + with pytest.raises(FileNotFoundError, match=r'object with path `.*` does not exist.'): + repository.get_object('non_existant') + + +def test_get_object(repository, generate_directory): + """Test the ``Repository.get_object`` method.""" + directory = generate_directory({'relative': {'file_b': None}}) + + with open(directory / 'relative/file_b', 'rb') as handle: + repository.put_object_from_filelike(handle, 'relative/file_b') + + file_object = repository.get_object(None) + assert isinstance(file_object, File) + assert file_object.file_type == FileType.DIRECTORY + + file_object = repository.get_object('relative') + assert isinstance(file_object, File) + assert file_object.file_type == FileType.DIRECTORY + assert file_object.name == 'relative' + + file_object = repository.get_object('relative/file_b') + assert isinstance(file_object, File) + assert file_object.file_type == FileType.FILE + assert file_object.name == 'file_b' + + +def test_get_directory_raises(repository, generate_directory): + """Test the ``Repository.get_directory`` method when it is supposed to raise.""" + directory = generate_directory({'relative': {'file_b': None}}) + + with open(directory / 'relative/file_b', 'rb') as handle: + repository.put_object_from_filelike(handle, 'relative/file_b') + + with pytest.raises(TypeError, match=r'path `.*` is not a relative path.'): + repository.get_object('/absolute/path') + + with pytest.raises(FileNotFoundError, match=r'object with path `.*` does not exist.'): + repository.get_object('non_existing_folder/file_a') + + with pytest.raises(NotADirectoryError, match=r'object with path `.*` is not a directory.'): + repository.get_directory('relative/file_b') + + with pytest.raises(FileNotFoundError, match=r'object with path `.*` does not exist.'): + repository.get_object('non_existant') + + +def test_get_directory(repository, generate_directory): + """Test the ``Repository.get_directory`` method.""" + directory = generate_directory({'relative': {'file_b': None}}) + + with open(directory / 'relative/file_b', 'rb') as handle: + repository.put_object_from_filelike(handle, 'relative/file_b') + + file_object = repository.get_object(None) + assert isinstance(file_object, File) + assert file_object.file_type == FileType.DIRECTORY + + file_object = repository.get_object('relative') + assert isinstance(file_object, File) + assert file_object.file_type == FileType.DIRECTORY + assert file_object.name == 'relative' + + +def test_get_file_raises(repository, generate_directory): + """Test the ``Repository.get_file`` method when it is supposed to raise.""" + directory = generate_directory({'relative': {'file_b': None}}) + + with open(directory / 'relative/file_b', 'rb') as handle: + repository.put_object_from_filelike(handle, 'relative/file_b') + + with pytest.raises(TypeError, match=r'path `.*` is not a relative path.'): + repository.get_file('/absolute/path') + + with pytest.raises(TypeError, match=r'path cannot be `None`.'): + repository.get_file(None) + + with pytest.raises(FileNotFoundError, match=r'object with path `.*` does not exist.'): + repository.get_file('non_existing_folder/file_a') + + with pytest.raises(FileNotFoundError, match=r'object with path `.*` does not exist.'): + repository.get_file('non_existant') + + with pytest.raises(IsADirectoryError, match=r'object with path `.*` is not a file.'): + repository.get_file('relative') + + +def test_get_file(repository, generate_directory): + """Test the ``Repository.get_file`` method.""" + directory = generate_directory({'relative': {'file_b': None}}) + + with open(directory / 'relative/file_b', 'rb') as handle: + repository.put_object_from_filelike(handle, 'relative/file_b') + + file_object = repository.get_file('relative/file_b') + assert isinstance(file_object, File) + assert file_object.file_type == FileType.FILE + assert file_object.name == 'file_b' + + +def test_list_objects_raises(repository, generate_directory): + """Test the ``Repository.list_objects`` method when it is supposed to raise.""" + directory = generate_directory({'file_a': None}) + + with pytest.raises(TypeError, match=r'path `.*` is not a relative path.'): + repository.list_objects('/absolute/path') + + with pytest.raises(FileNotFoundError, match=r'object with path `.*` does not exist.'): + repository.list_objects('non_existant') + + with open(directory / 'file_a', 'rb') as handle: + repository.put_object_from_filelike(handle, 'file_a') + + with pytest.raises(NotADirectoryError, match=r'object with path `.*` is not a directory.'): + repository.list_objects('file_a') + + +def test_list_objects(repository, generate_directory): + """Test the ``Repository.list_objects`` method.""" + directory = generate_directory({'file_a': None, 'relative': {'file_b': None}}) + + repository.create_directory('path/sub') + + with open(directory / 'file_a', 'rb') as handle: + repository.put_object_from_filelike(handle, 'file_a') + + with open(directory / 'relative/file_b', 'rb') as handle: + repository.put_object_from_filelike(handle, 'relative/file_b') + + objects = repository.list_objects() + assert len(objects) == 3 + assert all([isinstance(obj, File) for obj in objects]) + assert [obj.name for obj in objects] == ['file_a', 'path', 'relative'] + + objects = repository.list_objects('path') + assert len(objects) == 1 + assert all([isinstance(obj, File) for obj in objects]) + assert [obj.name for obj in objects] == ['sub'] + + objects = repository.list_objects('relative') + assert len(objects) == 1 + assert all([isinstance(obj, File) for obj in objects]) + assert [obj.name for obj in objects] == ['file_b'] + + +def test_list_object_names_raises(repository, generate_directory): + """Test the ``Repository.list_object_names`` method when it is supposed to raise.""" + directory = generate_directory({'file_a': None}) + + with pytest.raises(TypeError, match=r'path `.*` is not a relative path.'): + repository.list_object_names('/absolute/path') + + with pytest.raises(FileNotFoundError, match=r'object with path `.*` does not exist.'): + repository.list_object_names('non_existant') + + with open(directory / 'file_a', 'rb') as handle: + repository.put_object_from_filelike(handle, 'file_a') + + with pytest.raises(NotADirectoryError, match=r'object with path `.*` is not a directory.'): + repository.list_objects('file_a') + + +def test_list_object_names(repository, generate_directory): + """Test the ``Repository.list_object_names`` method.""" + directory = generate_directory({'file_a': None, 'relative': {'file_b': None}}) + + repository.create_directory('path/sub') + + with open(directory / 'file_a', 'rb') as handle: + repository.put_object_from_filelike(handle, 'file_a') + + with open(directory / 'relative/file_b', 'rb') as handle: + repository.put_object_from_filelike(handle, 'relative/file_b') + + assert repository.list_object_names() == ['file_a', 'path', 'relative'] + assert repository.list_object_names('path') == ['sub'] + assert repository.list_object_names('relative') == ['file_b'] + + +def test_put_object_from_filelike_raises(repository, generate_directory): + """Test the ``Repository.put_object_from_filelike`` method when it should raise.""" + directory = generate_directory({'file_a': None}) + + with pytest.raises(TypeError): + repository.put_object_from_filelike('file_a', directory / 'file_a') # Path-like object + + with pytest.raises(TypeError): + repository.put_object_from_filelike('file_a', directory / 'file_a') # String + + with pytest.raises(TypeError): + with open(directory / 'file_a') as handle: + repository.put_object_from_filelike(handle, 'file_a') # Not in binary mode + + +def test_put_object_from_filelike(repository, generate_directory): + """Test the ``Repository.put_object_from_filelike`` method.""" + directory = generate_directory({'file_a': None, 'relative': {'file_b': None}}) + + with open(directory / 'file_a', 'rb') as handle: + repository.put_object_from_filelike(handle, 'file_a') + + assert repository.has_object('file_a') + + with open(directory / 'relative/file_b', 'rb') as handle: + repository.put_object_from_filelike(handle, 'relative/file_b') + + assert repository.has_object('relative/file_b') + + with io.BytesIO(b'content_stream') as stream: + repository.put_object_from_filelike(stream, 'stream') + + +def test_put_object_from_tree_raises(repository): + """Test the ``Repository.put_object_from_tree`` method when it should raise.""" + with pytest.raises(TypeError, match=r'filepath `.*` is not of type `str` nor `pathlib.Path`.'): + repository.put_object_from_tree(None) + + with pytest.raises(TypeError, match=r'filepath `.*` is not an absolute path.'): + repository.put_object_from_tree('relative/path') + + +def test_put_object_from_tree(repository, generate_directory): + """Test the ``Repository.put_object_from_tree`` method.""" + directory = generate_directory({ + 'file_a': b'content_a', + 'relative': { + 'file_b': b'content_b', + 'sub': { + 'file_c': b'content_c' + } + } + }) + + repository.put_object_from_tree(str(directory)) + + assert repository.get_object_content('file_a') == b'content_a' + assert repository.get_object_content('relative/file_b') == b'content_b' + assert repository.get_object_content('relative/sub/file_c') == b'content_c' + + +def test_put_object_from_tree_path(repository, generate_directory): + """Test the ``Repository.put_object_from_tree`` method.""" + directory = generate_directory({'empty': {'folder': {}}}) + repository.put_object_from_tree(str(directory), path='base/path') + + assert repository.list_object_names() == ['base'] + assert repository.list_object_names('base') == ['path'] + assert repository.list_object_names('base/path') == ['empty'] + assert repository.list_object_names('base/path/empty') == ['folder'] + + +def test_put_object_from_tree_empty_folder(repository, generate_directory): + """Test the ``Repository.put_object_from_tree`` method.""" + directory = generate_directory({'empty': {'folder': {}}}) + repository.put_object_from_tree(str(directory)) + + assert repository.list_object_names() == ['empty'] + assert repository.list_object_names('empty') == ['folder'] + assert repository.get_directory('empty') + assert repository.get_directory('empty/folder') + + +def test_put_object_from_tree_empty_folder_path(repository, tmp_path): + """Test the ``Repository.put_object_from_tree`` method.""" + repository.put_object_from_tree(str(tmp_path), 'empty/folder') + + assert repository.list_object_names() == ['empty'] + assert repository.list_object_names('empty') == ['folder'] + assert repository.get_directory('empty') + assert repository.get_directory('empty/folder') + + +def test_has_object(repository, generate_directory): + """Test the ``Repository.has_object`` method.""" + directory = generate_directory({'file_a': None}) + + assert not repository.has_object('non_existant') + + with open(directory / 'file_a', 'rb') as handle: + key = repository.put_object_from_filelike(handle, 'file_a') + + assert repository.has_object(key) + + +def test_open_raise(repository): + """Test the ``Repository.open`` method when it should raise.""" + with pytest.raises(FileNotFoundError): + with repository.open('non_existant'): + pass + + +def test_open(repository, generate_directory): + """Test the ``Repository.open`` method.""" + directory = generate_directory({'file_a': b'content_a', 'relative': {'file_b': b'content_b'}}) + + with open(directory / 'file_a', 'rb') as handle: + repository.put_object_from_filelike(handle, 'file_a') + + with open(directory / 'relative/file_b', 'rb') as handle: + repository.put_object_from_filelike(handle, 'relative/file_b') + + with repository.open('file_a') as handle: + assert isinstance(handle, io.BufferedReader) + + with repository.open('file_a') as handle: + assert handle.read() == b'content_a' + + with repository.open('relative/file_b') as handle: + assert handle.read() == b'content_b' + + +def test_delete_object(repository, generate_directory): + """Test the ``Repository.delete_object`` method.""" + directory = generate_directory({'file_a': None}) + + with open(directory / 'file_a', 'rb') as handle: + repository.put_object_from_filelike(handle, 'file_a') + + assert repository.has_object('file_a') + + key = repository.get_object('file_a').key + repository.delete_object('file_a') + + assert not repository.has_object('file_a') + assert repository.backend.has_object(key) + + +def test_delete_object_hard(repository, generate_directory): + """Test the ``Repository.delete_object`` method with ``hard_delete=True``.""" + directory = generate_directory({'file_a': None}) + + with open(directory / 'file_a', 'rb') as handle: + repository.put_object_from_filelike(handle, 'file_a') + + assert repository.has_object('file_a') + + key = repository.get_object('file_a').key + repository.delete_object('file_a', hard_delete=True) + + assert not repository.has_object('file_a') + assert not repository.backend.has_object(key) + + +def test_erase(repository, generate_directory): + """Test the ``Repository.erase`` method.""" + directory = generate_directory({ + 'file_a': b'content_a', + 'relative': { + 'file_b': b'content_b', + } + }) + + repository.put_object_from_tree(str(directory)) + + assert repository.has_object('file_a') + assert repository.has_object('relative/file_b') + + repository.erase() + + assert repository.is_empty() + + +def test_is_empty(repository, generate_directory): + """Test the ``Repository.is_empty`` method.""" + directory = generate_directory({'file_a': None}) + + assert repository.is_empty() + + with open(directory / 'file_a', 'rb') as handle: + repository.put_object_from_filelike(handle, 'file_a') + + assert not repository.is_empty() + + repository.delete_object('file_a') + + assert repository.is_empty() + + +def test_walk(repository, generate_directory): + """Test the ``Repository.walk`` method.""" + directory = generate_directory({'empty': {}, 'file_a': None, 'relative': {'file_b': None, 'sub': {'file_c': None}}}) + + repository.put_object_from_tree(str(directory)) + + results = [] + for root, dirnames, filenames in repository.walk(): + results.append((root, sorted(dirnames), sorted(filenames))) + + assert sorted(results) == [ + (pathlib.Path('.'), ['empty', 'relative'], ['file_a']), + (pathlib.Path('empty'), [], []), + (pathlib.Path('relative'), ['sub'], ['file_b']), + (pathlib.Path('relative/sub'), [], ['file_c']), + ] + + +def test_clone(repository, generate_directory): + """Test the ``Repository.clone`` method.""" + directory = generate_directory({'file_a': None, 'relative': {'file_b': None, 'sub': {'file_c': None}}}) + + source = Repository(backend=SandboxRepositoryBackend()) + source.put_object_from_tree(str(directory)) + + assert not source.is_empty() + assert repository.is_empty() + + repository.clone(source) + + assert repository.list_object_names() == source.list_object_names() + assert repository.list_object_names('relative') == source.list_object_names('relative') + assert repository.list_object_names('relative/sub') == source.list_object_names('relative/sub') + + +def test_clone_empty_folder(repository, generate_directory): + """Test the ``Repository.clone`` method for repository only containing empty folders.""" + directory = generate_directory({'empty': {'folder': {}}}) + + source = Repository(backend=SandboxRepositoryBackend()) + source.put_object_from_tree(str(directory)) + + assert not source.is_empty() + assert repository.is_empty() + + repository.clone(source) + assert repository.list_object_names() == ['empty'] + assert repository.list_object_names('empty') == ['folder'] + + +def test_serialize(repository, generate_directory): + """Test the ``Repository.serialize`` method.""" + directory = generate_directory({'empty': {}, 'file_a': None, 'relative': {'file_b': b'content_b'}}) + + repository.put_object_from_tree(str(directory)) + serialized = repository.serialize() + + assert isinstance(serialized, dict) + + +def test_serialize_roundtrip(repository): + """Test the serialization round trip.""" + serialized = repository.serialize() + reconstructed = Repository.from_serialized(repository.backend, serialized) + + assert isinstance(reconstructed, Repository) + assert repository.get_directory() == reconstructed.get_directory() + + +def test_hash(repository, generate_directory): + """Test the ``Repository.hash`` method.""" + generate_directory({'empty': {}, 'file_a': b'content', 'relative': {'file_b': None, 'sub': {'file_c': None}}}) + assert isinstance(repository.hash(), str) From 45e7ca25fe8d74be09520f113b6566692cb82407 Mon Sep 17 00:00:00 2001 From: Sebastiaan Huber Date: Thu, 23 Jul 2020 15:06:56 +0200 Subject: [PATCH 03/13] Improve the storage effiency of the `repository_metadata` format Since now all nodes will have a full representation of the virtual file hierarchy of their repository content, which is stored in the database in the `repository_metadata` column, it is crucial that the format of that metadata is optimized to use as little data as possible, to prevent the database from bloating unnecessarily. Currently, we only define two file types: * Directories: which can contain an arbitrary number of sub objects * Files: which cannot contain objects, but instead have a unique hashkey This means that we can serialize the metadata, without encoding the explicit type. If it contains a key, it is necessarily a file. If it is not a file, it has to be a directory. The serialization format therefore can make do with simple nested dictionaries, where each entry either contains the key `k`, indicating it is a file, or `o`, which can be a dictionary itself, containing the objects contained within that directory. Note that we can even safely omit the `o` key for an empty dictionary. Since there is no `k` we know it has to be a directory anyway. This logic is implemented in `FileObject.from_serialized` that can fully reconstruct all instance properties by inferring them from the sparse serialized data. --- aiida/repository/common.py | 37 ++++++++++++----- aiida/repository/repository.py | 4 +- tests/repository/test_common.py | 73 +++++++++++++++++++++++---------- 3 files changed, 79 insertions(+), 35 deletions(-) diff --git a/aiida/repository/common.py b/aiida/repository/common.py index 3821b686f5..ac61b57f20 100644 --- a/aiida/repository/common.py +++ b/aiida/repository/common.py @@ -43,34 +43,49 @@ def __init__( if objects is not None and any([not isinstance(obj, self.__class__) for obj in objects.values()]): raise TypeError('objects should be `None` or a dictionary of `File` instances.') + if file_type == FileType.DIRECTORY and key is not None: + raise ValueError('an object of type `FileType.DIRECTORY` cannot define a key.') + + if file_type == FileType.FILE and objects is not None: + raise ValueError('an object of type `FileType.FILE` cannot define any objects.') + self._name = name self._file_type = file_type self._key = key self._objects = objects or {} @classmethod - def from_serialized(cls, serialized: dict) -> 'File': + def from_serialized(cls, serialized: dict, name='') -> 'File': """Construct a new instance from a serialized instance. :param serialized: the serialized instance. :return: the reconstructed file object. """ - objects = {name: File.from_serialized(obj) for name, obj in serialized['objects'].items()} + if 'k' in serialized: + file_type = FileType.FILE + key = serialized['k'] + objects = None + else: + file_type = FileType.DIRECTORY + key = None + objects = {name: File.from_serialized(obj, name) for name, obj in serialized.get('o', {}).items()} + instance = cls.__new__(cls) - instance.__init__(serialized['name'], FileType(serialized['file_type']), serialized['key'], objects) + instance.__init__(name, file_type, key, objects) return instance def serialize(self) -> dict: """Serialize the metadata into a JSON-serializable format. + .. note:: the serialization format is optimized to reduce the size in bytes. + :return: dictionary with the content metadata. """ - return { - 'name': self.name, - 'file_type': self.file_type.value, - 'key': self.key, - 'objects': {key: obj.serialize() for key, obj in self.objects.items()}, - } + if self.file_type == FileType.DIRECTORY: + if self.objects: + return {'o': {key: obj.serialize() for key, obj in self.objects.items()}} + return {} + return {'k': self.key} @property def name(self) -> str: @@ -98,11 +113,11 @@ def __eq__(self, other) -> bool: return False equal_attributes = all([getattr(self, key) == getattr(other, key) for key in ['name', 'file_type', 'key']]) - equal_object_keys = list(self.objects) == list(other.objects) + equal_object_keys = sorted(self.objects) == sorted(other.objects) equal_objects = equal_object_keys and all([obj == other.objects[key] for key, obj in self.objects.items()]) return equal_attributes and equal_objects def __repr__(self): - args = (self.name, self.file_type.value, self.key, list(self.objects.keys())) + args = (self.name, self.file_type.value, self.key, self.objects.items()) return 'File'.format(*args) diff --git a/aiida/repository/repository.py b/aiida/repository/repository.py index 67929e14d8..de99698e8d 100644 --- a/aiida/repository/repository.py +++ b/aiida/repository/repository.py @@ -56,8 +56,8 @@ def from_serialized(cls, backend: AbstractRepositoryBackend, serialized: typing. instance.__init__(backend) if serialized: - for name, obj in serialized['objects'].items(): - instance.get_directory().objects[name] = File.from_serialized(obj) + for name, obj in serialized['o'].items(): + instance.get_directory().objects[name] = File.from_serialized(obj, name) return instance diff --git a/tests/repository/test_common.py b/tests/repository/test_common.py index 604e137253..f112411c4f 100644 --- a/tests/repository/test_common.py +++ b/tests/repository/test_common.py @@ -10,9 +10,9 @@ def file_object() -> File: """Test fixture to create and return a ``File`` instance.""" name = 'relative' - file_type = FileType.FILE - key = 'abcdef' - objects = {'sub': File()} + file_type = FileType.DIRECTORY + key = None + objects = {'sub': File('sub', file_type=FileType.FILE, key='abcdef')} return File(name, file_type, key, objects) @@ -28,16 +28,27 @@ def test_constructor(): def test_constructor_kwargs(file_object: File): """Test the constructor specifying specific keyword arguments.""" name = 'relative' - file_type = FileType.FILE - key = 'abcdef' + file_type = FileType.DIRECTORY + key = None objects = {'sub': File()} file_object = File(name, file_type, key, objects) - assert file_object.name == 'relative' - assert file_object.file_type == FileType.FILE - assert file_object.key == 'abcdef' + assert file_object.name == name + assert file_object.file_type == file_type + assert file_object.key == key assert file_object.objects == objects + name = 'relative' + file_type = FileType.FILE + key = 'abcdef' + objects = None + file_object = File(name, file_type, key, objects) + + assert file_object.name == name + assert file_object.file_type == file_type + assert file_object.key == key + assert file_object.objects == {} + def test_constructor_kwargs_invalid(): """Test the constructor specifying invalid keyword arguments.""" @@ -55,22 +66,26 @@ def test_constructor_kwargs_invalid(): with pytest.raises(TypeError): File(name, file_type, 123, objects) - with pytest.raises(TypeError): - File(name, file_type, key, {'sub': File, 'wrong': 'type'}) + with pytest.raises(ValueError, match=r'an object of type `FileType.FILE` cannot define any objects.'): + File(name, FileType.FILE, key, {}) + with pytest.raises(ValueError, match=r'an object of type `FileType.DIRECTORY` cannot define a key.'): + File(name, FileType.DIRECTORY, key, {}) -def test_serialize(file_object: File): + +def test_serialize(): """Test the ``File.serialize`` method.""" + objects = { + 'empty': File('empty', file_type=FileType.DIRECTORY), + 'file.txt': File('file.txt', file_type=FileType.FILE, key='abcdef'), + } + file_object = File(file_type=FileType.DIRECTORY, objects=objects) + expected = { - 'name': file_object.name, - 'file_type': file_object.file_type.value, - 'key': file_object.key, - 'objects': { - 'sub': { - 'name': '', - 'file_type': FileType.DIRECTORY.value, - 'key': None, - 'objects': {}, + 'o': { + 'empty': {}, + 'file.txt': { + 'k': 'abcdef', } } } @@ -81,7 +96,7 @@ def test_serialize(file_object: File): def test_serialize_roundtrip(file_object: File): """Test the serialization round trip.""" serialized = file_object.serialize() - reconstructed = File.from_serialized(serialized) + reconstructed = File.from_serialized(serialized, file_object.name) assert isinstance(reconstructed, File) assert file_object == reconstructed @@ -105,5 +120,19 @@ def test_eq(): assert file_object != File(name='custom') assert file_object != File(file_type=FileType.FILE) - assert file_object != File(key='123456') + assert file_object != File(key='123456', file_type=FileType.FILE) assert file_object != File(objects={'sub': File()}) + + # Test ordering of nested files: + objects = { + 'empty': File('empty', file_type=FileType.DIRECTORY), + 'file.txt': File('file.txt', file_type=FileType.FILE, key='abcdef'), + } + file_object_a = File(file_type=FileType.DIRECTORY, objects=objects) + objects = { + 'file.txt': File('file.txt', file_type=FileType.FILE, key='abcdef'), + 'empty': File('empty', file_type=FileType.DIRECTORY), + } + file_object_b = File(file_type=FileType.DIRECTORY, objects=objects) + + assert file_object_a == file_object_b From 583d09f779dc8cdf9e2db2419132d9edc2cedd85 Mon Sep 17 00:00:00 2001 From: Sebastiaan Huber Date: Tue, 14 Jul 2020 22:35:42 +0200 Subject: [PATCH 04/13] Remove the code to perform incremental backup of the file repository This code was put in place because a naive backup of the file repository was impossible already for reasonably size projects. The problem was the underlying design where each node had an associated folder on disk, even if it contained no files, and all files were stored separately, creating a huge numbers of files. This meant that just rsync'ing the folder could take days even to just calculate the difference with the backed up folder. The ad-hoc solution was this script that would only transfer the folders of the nodes added since the last backup date, the list of which was determined by a simple query. However, now that the new file repository is implemented, which has been explicitly designed to be easily backed up by tools like `rsync`, this custom solution is no longer needed. --- MANIFEST.in | 1 - aiida/cmdline/commands/cmd_devel.py | 7 - aiida/manage/backup/__init__.py | 9 - aiida/manage/backup/backup_base.py | 423 ------------------ aiida/manage/backup/backup_general.py | 89 ---- aiida/manage/backup/backup_info.json.tmpl | 1 - aiida/manage/backup/backup_setup.py | 256 ----------- aiida/manage/backup/backup_utils.py | 126 ------ docs/source/howto/installation.rst | 69 +-- docs/source/reference/backup_script.rst | 39 -- docs/source/reference/command_line.rst | 1 - docs/source/reference/index.rst | 1 - tests/common/test_utils.py | 102 ----- tests/manage/backup/__init__.py | 9 - tests/manage/backup/test_backup_script.py | 378 ---------------- .../manage/backup/test_backup_setup_script.py | 126 ------ 16 files changed, 3 insertions(+), 1634 deletions(-) delete mode 100644 aiida/manage/backup/__init__.py delete mode 100644 aiida/manage/backup/backup_base.py delete mode 100644 aiida/manage/backup/backup_general.py delete mode 100644 aiida/manage/backup/backup_info.json.tmpl delete mode 100644 aiida/manage/backup/backup_setup.py delete mode 100644 aiida/manage/backup/backup_utils.py delete mode 100644 docs/source/reference/backup_script.rst delete mode 100644 tests/manage/backup/__init__.py delete mode 100644 tests/manage/backup/test_backup_script.py delete mode 100644 tests/manage/backup/test_backup_setup_script.py diff --git a/MANIFEST.in b/MANIFEST.in index 845905c022..d64dfc817f 100644 --- a/MANIFEST.in +++ b/MANIFEST.in @@ -1,5 +1,4 @@ include aiida/cmdline/templates/*.tpl -include aiida/manage/backup/backup_info.json.tmpl include aiida/manage/configuration/schema/*.json include setup.json include AUTHORS.txt diff --git a/aiida/cmdline/commands/cmd_devel.py b/aiida/cmdline/commands/cmd_devel.py index 381fd46045..e58dfff18c 100644 --- a/aiida/cmdline/commands/cmd_devel.py +++ b/aiida/cmdline/commands/cmd_devel.py @@ -108,10 +108,3 @@ def devel_play(): import webbrowser webbrowser.open_new('http://upload.wikimedia.org/wikipedia/commons/3/32/Triumphal_March_from_Aida.ogg') - - -@verdi_devel.command() -def configure_backup(): - """Configure backup of the repository folder.""" - from aiida.manage.backup.backup_setup import BackupSetup - BackupSetup().run() diff --git a/aiida/manage/backup/__init__.py b/aiida/manage/backup/__init__.py deleted file mode 100644 index 2776a55f97..0000000000 --- a/aiida/manage/backup/__init__.py +++ /dev/null @@ -1,9 +0,0 @@ -# -*- 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 # -########################################################################### diff --git a/aiida/manage/backup/backup_base.py b/aiida/manage/backup/backup_base.py deleted file mode 100644 index a643699a4c..0000000000 --- a/aiida/manage/backup/backup_base.py +++ /dev/null @@ -1,423 +0,0 @@ -# -*- 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 # -########################################################################### -"""Base abstract Backup class for all backends.""" -import datetime -import os -import logging -import shutil - -from abc import ABC, abstractmethod -from dateutil.parser import parse - -from aiida.common import json -from aiida.common import timezone as dtimezone - - -class AbstractBackup(ABC): - """ - This class handles the backup of the AiiDA repository that is referenced - by the current AiiDA database. The backup will start from the - given backup timestamp (*oldest_object_backedup*) or the date of the - oldest node/workflow object found and it will periodically backup - (in periods of *periodicity* days) until the ending date of the backup - specified by *end_date_of_backup* or *days_to_backup*. - """ - - # Keys in the dictionary loaded by the JSON file - OLDEST_OBJECT_BK_KEY = 'oldest_object_backedup' - BACKUP_DIR_KEY = 'backup_dir' - DAYS_TO_BACKUP_KEY = 'days_to_backup' - END_DATE_OF_BACKUP_KEY = 'end_date_of_backup' - PERIODICITY_KEY = 'periodicity' - BACKUP_LENGTH_THRESHOLD_KEY = 'backup_length_threshold' - - # Backup parameters that will be populated by the JSON file - - # Where did the last backup stop - _oldest_object_bk = None - # The destination directory of the backup - _backup_dir = None - - # How many days to backup - _days_to_backup = None - # Until what date we should backup - _end_date_of_backup = None - - # How many consecutive days to backup in one round. - _periodicity = None - - # The threshold (in hours) between the oldest object to be backed up - # and the end of the backup. If the difference is bellow this threshold - # the backup should not start. - _backup_length_threshold = None - - # The end of the backup dates (or days) until the end are translated to - # the following internal variable containing the end date - _internal_end_date_of_backup = None - - _additional_back_time_mins = None - - _ignore_backup_dir_existence_check = False # pylint: disable=invalid-name - - def __init__(self, backup_info_filepath, additional_back_time_mins): - - # The path to the JSON file with the backup information - self._backup_info_filepath = backup_info_filepath - - self._additional_back_time_mins = additional_back_time_mins - - # Configuring the logging - logging.basicConfig(format='%(asctime)s %(name)-12s %(levelname)-8s %(message)s') - - # The logger of the backup script - self._logger = logging.getLogger('aiida.aiida_backup') - - def _read_backup_info_from_file(self, backup_info_file_name): - """ - This method reads the backup information from the given file and - passes the dictionary to the method responsible for the initialization - of the needed class variables. - """ - backup_variables = None - - with open(backup_info_file_name, 'r', encoding='utf8') as backup_info_file: - try: - backup_variables = json.load(backup_info_file) - except ValueError: - self._logger.error('Could not parse file %s', backup_info_file_name) - raise BackupError(f'Could not parse file {backup_info_file_name}') - - self._read_backup_info_from_dict(backup_variables) - - def _read_backup_info_from_dict(self, backup_variables): # pylint: disable=too-many-branches,too-many-statements - """ - This method reads the backup information from the given dictionary and - sets the needed class variables. - """ - # Setting the oldest backup date. This will be used as start of - # the new backup procedure. - # - # If the oldest backup date is not set, then find the oldest - # creation timestamp and set it as the oldest backup date. - if backup_variables.get(self.OLDEST_OBJECT_BK_KEY) is None: - query_node_res = self._query_first_node() - - if not query_node_res: - self._logger.error('The oldest modification date was not found.') - raise BackupError('The oldest modification date was not found.') - - oldest_timestamps = [] - if query_node_res: - oldest_timestamps.append(query_node_res[0].ctime) - - self._oldest_object_bk = min(oldest_timestamps) - self._logger.info( - 'Setting the oldest modification date to the creation date of the oldest object ' - '(%s)', self._oldest_object_bk - ) - - # If the oldest backup date is not None then try to parse it - else: - try: - self._oldest_object_bk = parse(backup_variables.get(self.OLDEST_OBJECT_BK_KEY)) - if self._oldest_object_bk.tzinfo is None: - curr_timezone = dtimezone.get_current_timezone() - self._oldest_object_bk = dtimezone.get_current_timezone().localize(self._oldest_object_bk) - self._logger.info( - 'No timezone defined in the oldest modification date timestamp. Setting current timezone (%s).', - curr_timezone.zone - ) - # If it is not parsable... - except ValueError: - self._logger.error('We did not manage to parse the start timestamp of the last backup.') - raise - - # Setting the backup directory & normalizing it - self._backup_dir = os.path.normpath(backup_variables.get(self.BACKUP_DIR_KEY)) - if (not self._ignore_backup_dir_existence_check and not os.path.isdir(self._backup_dir)): - self._logger.error('The given backup directory does not exist.') - raise BackupError('The given backup directory does not exist.') - - # You can not set an end-of-backup date and end days from the backup - # that you should stop. - if ( - backup_variables.get(self.DAYS_TO_BACKUP_KEY) is not None and - backup_variables.get(self.END_DATE_OF_BACKUP_KEY) is not None - ): - self._logger.error('Only one end of backup date can be set.') - raise BackupError('Only one backup end can be set (date or days from backup start.') - - # Check if there is an end-of-backup date - elif backup_variables.get(self.END_DATE_OF_BACKUP_KEY) is not None: - try: - self._end_date_of_backup = parse(backup_variables.get(self.END_DATE_OF_BACKUP_KEY)) - - if self._end_date_of_backup.tzinfo is None: - curr_timezone = dtimezone.get_current_timezone() - self._end_date_of_backup = \ - curr_timezone.localize( - self._end_date_of_backup) - self._logger.info( - 'No timezone defined in the end date of backup timestamp. Setting current timezone (%s).', - curr_timezone.zone - ) - - self._internal_end_date_of_backup = self._end_date_of_backup - except ValueError: - self._logger.error('The end date of the backup could not be parsed correctly') - raise - - # Check if there is defined a days to backup - elif backup_variables.get(self.DAYS_TO_BACKUP_KEY) is not None: - try: - self._days_to_backup = int(backup_variables.get(self.DAYS_TO_BACKUP_KEY)) - self._internal_end_date_of_backup = ( - self._oldest_object_bk + datetime.timedelta(days=self._days_to_backup) - ) - except ValueError: - self._logger.error('The days to backup should be an integer') - raise - # If the backup end is not set, then the ending date remains open - - # Parse the backup periodicity. - try: - self._periodicity = int(backup_variables.get(self.PERIODICITY_KEY)) - except ValueError: - self._logger.error('The backup _periodicity should be an integer') - raise - - # Parse the backup length threshold - try: - hours_th = int(backup_variables.get(self.BACKUP_LENGTH_THRESHOLD_KEY)) - self._backup_length_threshold = datetime.timedelta(hours=hours_th) - except ValueError: - self._logger.error('The backup length threshold should be an integer') - raise - - def _dictionarize_backup_info(self): - """ - This dictionarises the backup information and returns the dictionary. - """ - backup_variables = { - self.OLDEST_OBJECT_BK_KEY: str(self._oldest_object_bk), - self.BACKUP_DIR_KEY: self._backup_dir, - self.DAYS_TO_BACKUP_KEY: self._days_to_backup, - self.END_DATE_OF_BACKUP_KEY: None if self._end_date_of_backup is None else str(self._end_date_of_backup), - self.PERIODICITY_KEY: self._periodicity, - self.BACKUP_LENGTH_THRESHOLD_KEY: int(self._backup_length_threshold.total_seconds() // 3600) - } - - return backup_variables - - def _store_backup_info(self, backup_info_file_name): - """ - This method writes the backup variables dictionary to a file with the - given filename. - """ - backup_variables = self._dictionarize_backup_info() - with open(backup_info_file_name, 'wb') as backup_info_file: - json.dump(backup_variables, backup_info_file) - - def _find_files_to_backup(self): - """ - Query the database for nodes that were created after the - the start of the last backup. Return a query set. - """ - # Go a bit further back to avoid any rounding problems. Set the - # smallest timestamp to be backed up. - start_of_backup = (self._oldest_object_bk - datetime.timedelta(minutes=self._additional_back_time_mins)) - - # Find the end of backup for this round using the given _periodicity. - backup_end_for_this_round = (self._oldest_object_bk + datetime.timedelta(days=self._periodicity)) - - # If the end of the backup is after the given end by the user, - # adapt it accordingly - if ( - self._internal_end_date_of_backup is not None and - backup_end_for_this_round > self._internal_end_date_of_backup - ): - backup_end_for_this_round = self._internal_end_date_of_backup - - # If the end of the backup is after the current time, adapt the end accordingly - now_timestamp = datetime.datetime.now(dtimezone.get_current_timezone()) - if backup_end_for_this_round > now_timestamp: - self._logger.info( - 'We can not backup until %s. We will backup until now (%s).', backup_end_for_this_round, now_timestamp - ) - backup_end_for_this_round = now_timestamp - - # Check if the backup length is below the backup length threshold - if backup_end_for_this_round - start_of_backup < \ - self._backup_length_threshold: - self._logger.info('Backup (timestamp) length is below the given threshold. Backup finished') - return -1, None - - # Construct the queries & query sets - query_sets = self._get_query_sets(start_of_backup, backup_end_for_this_round) - - # Set the new start of the backup - self._oldest_object_bk = backup_end_for_this_round - - # Check if threshold is 0 - if self._backup_length_threshold == datetime.timedelta(hours=0): - return -2, query_sets - - return 0, query_sets - - @staticmethod - def _get_repository_path(): - from aiida.manage.configuration import get_profile - return get_profile().repository_path - - def _backup_needed_files(self, query_sets): - """Perform backup of a minimum-set of files""" - - repository_path = os.path.normpath(self._get_repository_path()) - - parent_dir_set = set() - copy_counter = 0 - - dir_no_to_copy = 0 - - for query_set in query_sets: - dir_no_to_copy += self._get_query_set_length(query_set) - - self._logger.info('Start copying %s directories', dir_no_to_copy) - - last_progress_print = datetime.datetime.now() - percent_progress = 0 - - for query_set in query_sets: - for item in self._get_query_set_iterator(query_set): - source_dir = self._get_source_directory(item) - - # Get the relative directory without the / which - # separates the repository_path from the relative_dir. - relative_dir = source_dir[(len(repository_path) + 1):] - destination_dir = os.path.join(self._backup_dir, relative_dir) - - # Remove the destination directory if it already exists - if os.path.exists(destination_dir): - shutil.rmtree(destination_dir) - - # Copy the needed directory - try: - shutil.copytree(source_dir, destination_dir, True, None) - except EnvironmentError as why: - self._logger.warning( - 'Problem copying directory %s to %s. More information: %s (Error no: %s)', source_dir, - destination_dir, why.strerror, why.errno - ) - # Raise envEr - - # Extract the needed parent directories - AbstractBackup._extract_parent_dirs(relative_dir, parent_dir_set) - copy_counter += 1 - log_msg = 'Copied %.0f directories [%s] (%3.0f/100)' - - if ( - self._logger.getEffectiveLevel() <= logging.INFO and - (datetime.datetime.now() - last_progress_print).seconds > 60 - ): - last_progress_print = datetime.datetime.now() - percent_progress = copy_counter * 100 / dir_no_to_copy - self._logger.info(log_msg, copy_counter, item.__class__.__name__, percent_progress) - - if ( - self._logger.getEffectiveLevel() <= logging.INFO and percent_progress < - (copy_counter * 100 / dir_no_to_copy) - ): - percent_progress = (copy_counter * 100 / dir_no_to_copy) - last_progress_print = datetime.datetime.now() - self._logger.info(log_msg, copy_counter, item.__class__.__name__, percent_progress) - - self._logger.info('%.0f directories copied', copy_counter) - - self._logger.info('Start setting permissions') - perm_counter = 0 - for tmp_rel_path in parent_dir_set: - try: - shutil.copystat( - os.path.join(repository_path, tmp_rel_path), os.path.join(self._backup_dir, tmp_rel_path) - ) - except OSError as why: - self._logger.warning( - 'Problem setting permissions to directory %s.', os.path.join(self._backup_dir, tmp_rel_path) - ) - self._logger.warning(os.path.join(repository_path, tmp_rel_path)) - self._logger.warning('More information: %s (Error no: %s)', why.strerror, why.errno) - perm_counter += 1 - - self._logger.info('Set correct permissions to %.0f directories.', perm_counter) - - self._logger.info('End of backup.') - self._logger.info('Backed up objects with modification timestamp less or equal to %s.', self._oldest_object_bk) - - @staticmethod - def _extract_parent_dirs(given_rel_dir, parent_dir_set): - """ - This method extracts the parent directories of the givenDir - and populates the parent_dir_set. - """ - sub_paths = given_rel_dir.split('/') - - temp_path = '' - for sub_path in sub_paths: - temp_path += f'{sub_path}/' - parent_dir_set.add(temp_path) - - return parent_dir_set - - def run(self): - """Run the backup""" - while True: - self._read_backup_info_from_file(self._backup_info_filepath) - item_sets_to_backup = self._find_files_to_backup() - if item_sets_to_backup[0] == -1: - break - self._backup_needed_files(item_sets_to_backup[1]) - self._store_backup_info(self._backup_info_filepath) - if item_sets_to_backup[0] == -2: - self._logger.info('Threshold is 0. Backed up one round and exiting.') - break - - @abstractmethod - def _query_first_node(self): - """Query first node""" - - @abstractmethod - def _get_query_set_length(self, query_set): - """Get query set length""" - - @abstractmethod - def _get_query_sets(self, start_of_backup, backup_end_for_this_round): - """Get query set""" - - @abstractmethod - def _get_query_set_iterator(self, query_set): - """Get query set iterator""" - - @abstractmethod - def _get_source_directory(self, item): - """Get source directory of item - :param self: - :return: - """ - - -class BackupError(Exception): - """General backup error""" - - def __init__(self, value, *args, **kwargs): - super().__init__(*args, **kwargs) - self._value = value - - def __str__(self): - return repr(self._value) diff --git a/aiida/manage/backup/backup_general.py b/aiida/manage/backup/backup_general.py deleted file mode 100644 index 1ec59796ee..0000000000 --- a/aiida/manage/backup/backup_general.py +++ /dev/null @@ -1,89 +0,0 @@ -# -*- 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 # -########################################################################### -"""Backup implementation for any backend (using the QueryBuilder).""" -# pylint: disable=no-member - -import os - -from aiida.orm import Node -from aiida.manage.backup.backup_base import AbstractBackup, BackupError -from aiida.common.folders import RepositoryFolder -from aiida.orm.utils._repository import Repository - - -class Backup(AbstractBackup): - """Backup for any backend""" - - def _query_first_node(self): - """Query first node - :return: The first Node object (return specific subclass thereof). - :rtype: :class:`~aiida.orm.nodes.node.Node` - """ - return Node.objects.find(order_by='ctime')[:1] - - def _get_query_set_length(self, query_set): - """Get query set length""" - return query_set.count() - - def _get_query_sets(self, start_of_backup, backup_end_for_this_round): - """Get Nodes and Worflows query set from start to end of backup. - - :param start_of_backup: datetime object with start datetime of Node modification times for backup. - :param backup_end_for_this_round: datetime object with end datetime of Node modification times for backup this - round. - - :return: List of QueryBuilder queries/query. - :rtype: :class:`~aiida.orm.querybuilder.QueryBuilder` - """ - mtime_interval = {'mtime': {'and': [{'>=': str(start_of_backup)}, {'<=': str(backup_end_for_this_round)}]}} - query_set = Node.objects.query() - query_set.add_filter(Node, mtime_interval) - - return [query_set] - - def _get_query_set_iterator(self, query_set): - """Get query set iterator - - :param query_set: QueryBuilder object - :type query_set: :class:`~aiida.orm.querybuilder.QueryBuilder` - - :return: Generator, returning the results of the QueryBuilder query. - :rtype: list - - :raises `~aiida.manage.backup.backup_base.BackupError`: if the number of yielded items in the list from - iterall() is more than 1. - """ - for item in query_set.iterall(): - yield_len = len(item) - if yield_len == 1: - yield item[0] - else: - msg = 'Unexpected number of items in list yielded from QueryBuilder.iterall(): %s' - self._logger.error(msg, yield_len) - raise BackupError(msg % yield_len) - - def _get_source_directory(self, item): - """Retrieve the node repository folder - - :param item: Subclasses of Node. - :type item: :class:`~aiida.orm.nodes.node.Node` - - :return: Normalized path to the Node's repository folder. - :rtype: str - """ - # pylint: disable=protected-access - if isinstance(item, Node): - source_dir = os.path.normpath(RepositoryFolder(section=Repository._section_name, uuid=item.uuid).abspath) - else: - # Raise exception - msg = 'Unexpected item type to backup: %s' - self._logger.error(msg, type(item)) - raise BackupError(msg % type(item)) - return source_dir diff --git a/aiida/manage/backup/backup_info.json.tmpl b/aiida/manage/backup/backup_info.json.tmpl deleted file mode 100644 index 33c5e37a6c..0000000000 --- a/aiida/manage/backup/backup_info.json.tmpl +++ /dev/null @@ -1 +0,0 @@ -{"backup_length_threshold": 1, "periodicity": 2, "oldest_object_backedup": null, "end_date_of_backup": null, "days_to_backup": null, "backup_dir": "/scratch/backup_dest/backup_script_dest/"} diff --git a/aiida/manage/backup/backup_setup.py b/aiida/manage/backup/backup_setup.py deleted file mode 100644 index 264e6b1ac2..0000000000 --- a/aiida/manage/backup/backup_setup.py +++ /dev/null @@ -1,256 +0,0 @@ -# -*- 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 # -########################################################################### -"""Class to backup an AiiDA instance profile.""" - -import datetime -import logging -import os -import shutil -import stat -import sys - -from aiida.common import json -from aiida.manage import configuration -from aiida.manage.backup.backup_base import AbstractBackup -from aiida.manage.configuration.settings import AIIDA_CONFIG_FOLDER - -from aiida.manage.backup import backup_utils as utils - - -class BackupSetup: - """ - This class setups the main backup script related information & files like:: - - - the backup parameter file. It also allows the user to set it up by answering questions. - - the backup folders. - - the script that initiates the backup. - """ - - def __init__(self): - # The backup directory names - self._conf_backup_folder_rel = f'backup_{configuration.PROFILE.name}' - self._file_backup_folder_rel = 'backup_dest' - - # The backup configuration file (& template) names - self._backup_info_filename = 'backup_info.json' - self._backup_info_tmpl_filename = 'backup_info.json.tmpl' - - # The name of the script that initiates the backup - self._script_filename = 'start_backup.py' - - # Configuring the logging - logging.basicConfig(format='%(asctime)s %(name)-12s %(levelname)-8s %(message)s') - - # The logger of the backup script - self._logger = logging.getLogger('aiida_backup_setup') - - @staticmethod - def construct_backup_variables(file_backup_folder_abs): - """Construct backup variables.""" - backup_variables = {} - - # Setting the oldest backup timestamp - oldest_object_bk = utils.ask_question( - 'Please provide the oldest backup timestamp ' - '(e.g. 2014-07-18 13:54:53.688484+00:00): ', datetime.datetime, True - ) - - if oldest_object_bk is None: - backup_variables[AbstractBackup.OLDEST_OBJECT_BK_KEY] = None - else: - backup_variables[AbstractBackup.OLDEST_OBJECT_BK_KEY] = str(oldest_object_bk) - - # Setting the backup directory - backup_variables[AbstractBackup.BACKUP_DIR_KEY] = file_backup_folder_abs - - # Setting the days_to_backup - backup_variables[AbstractBackup.DAYS_TO_BACKUP_KEY - ] = utils.ask_question('Please provide the number of days to backup: ', int, True) - - # Setting the end date - end_date_of_backup_key = utils.ask_question( - 'Please provide the end date of the backup (e.g. 2014-07-18 13:54:53.688484+00:00): ', datetime.datetime, - True - ) - if end_date_of_backup_key is None: - backup_variables[AbstractBackup.END_DATE_OF_BACKUP_KEY] = None - else: - backup_variables[AbstractBackup.END_DATE_OF_BACKUP_KEY] = str(end_date_of_backup_key) - - # Setting the backup periodicity - backup_variables[AbstractBackup.PERIODICITY_KEY - ] = utils.ask_question('Please provide the periodicity (in days): ', int, False) - - # Setting the backup threshold - backup_variables[AbstractBackup.BACKUP_LENGTH_THRESHOLD_KEY - ] = utils.ask_question('Please provide the backup threshold (in hours): ', int, False) - - return backup_variables - - def create_dir(self, question, dir_path): - """Create the directories for the backup folder and return its path.""" - final_path = utils.query_string(question, dir_path) - - if not os.path.exists(final_path): - if utils.query_yes_no(f"The path {final_path} doesn't exist. Should it be created?", 'yes'): - try: - os.makedirs(final_path) - except OSError: - self._logger.error('Error creating the path %s.', final_path) - raise - return final_path - - @staticmethod - def print_info(): - """Write a string with information to stdout.""" - info_str = \ -"""Variables to set up in the JSON file ------------------------------------- - - * ``periodicity`` (in days): The backup runs periodically for a number of days - defined in the periodicity variable. The purpose of this variable is to limit - the backup to run only on a few number of days and therefore to limit the - number of files that are backed up at every round. e.g. ``"periodicity": 2`` - Example: if you have files in the AiiDA repositories created in the past 30 - days, and periodicity is 15, the first run will backup the files of the first - 15 days; a second run of the script will backup the next 15 days, completing - the backup (if it is run within the same day). Further runs will only backup - newer files, if they are created. - - * ``oldest_object_backedup`` (timestamp or null): This is the timestamp of the - oldest object that was backed up. If you are not aware of this value or if it - is the first time that you start a backup up for this repository, then set - this value to ``null``. Then the script will search the creation date of the - oldest node object in the database and it will start - the backup from that date. E.g. ``"oldest_object_backedup": - "2015-07-20 11:13:08.145804+02:00"`` - - * ``end_date_of_backup``: If set, the backup script will backup files that - have a modification date until the value specified by this variable. If not - set, the ending of the backup will be set by the following variable - (``days_to_backup``) which specifies how many days to backup from the start - of the backup. If none of these variables are set (``end_date_of_backup`` - and ``days_to_backup``), then the end date of backup is set to the current - date. E.g. ``"end_date_of_backup": null`` or ``"end_date_of_backup": - "2015-07-20 11:13:08.145804+02:00"`` - - * ``days_to_backup``: If set, you specify how many days you will backup from - the starting date of your backup. If it set to ``null`` and also - ``end_date_of_backup`` is set to ``null``, then the end date of the backup - is set to the current date. You can not set ``days_to_backup`` - & ``end_date_of_backup`` at the same time (it will lead to an error). - E.g. ``"days_to_backup": null`` or ``"days_to_backup": 5`` - - * ``backup_length_threshold`` (in hours): The backup script runs in rounds and - on every round it backs-up a number of days that are controlled primarily by - ``periodicity`` and also by ``end_date_of_backup`` / ``days_to_backup``, - for the last backup round. The ``backup_length_threshold`` specifies the - lowest acceptable round length. This is important for the end of the backup. - - * ``backup_dir``: The destination directory of the backup. e.g. - ``"backup_dir": "/scratch/aiida_user/backup_script_dest"`` -""" - sys.stdout.write(info_str) - - def run(self): - """Run the backup.""" - conf_backup_folder_abs = self.create_dir( - 'Please provide the backup folder by providing the full path.', - os.path.join(os.path.expanduser(AIIDA_CONFIG_FOLDER), self._conf_backup_folder_rel) - ) - - file_backup_folder_abs = self.create_dir( - 'Please provide the destination folder of the backup (normally in ' - 'the previously provided backup folder).', - os.path.join(conf_backup_folder_abs, self._file_backup_folder_rel) - ) - - # The template backup configuration file - template_conf_path = os.path.join(os.path.dirname(os.path.abspath(__file__)), self._backup_info_tmpl_filename) - - # Copy the sample configuration file to the backup folder - try: - shutil.copy(template_conf_path, conf_backup_folder_abs) - except OSError: - self._logger.error( - 'Error copying the file %s to the directory %s', template_conf_path, conf_backup_folder_abs - ) - raise - - if utils.query_yes_no( - 'A sample configuration file was copied to {}. ' - 'Would you like to see the configuration parameters explanation?'.format(conf_backup_folder_abs), - default='yes' - ): - self.print_info() - - # Construct the path to the backup configuration file - final_conf_filepath = os.path.join(conf_backup_folder_abs, self._backup_info_filename) - - # If the backup parameters are configured now - if utils.query_yes_no('Would you like to configure the backup configuration file now?', default='yes'): - - # Ask questions to properly setup the backup variables - backup_variables = self.construct_backup_variables(file_backup_folder_abs) - - with open(final_conf_filepath, 'wb') as backup_info_file: - json.dump(backup_variables, backup_info_file) - # If the backup parameters are configured manually - else: - sys.stdout.write( - f'Please rename the file {self._backup_info_tmpl_filename} ' + - f'found in {conf_backup_folder_abs} to ' + f'{self._backup_info_filename} and ' + - 'change the backup parameters accordingly.\n' - ) - sys.stdout.write( - 'Please adapt the startup script accordingly to point to the ' + - 'correct backup configuration file. For the moment, it points ' + - f'to {os.path.join(conf_backup_folder_abs, self._backup_info_filename)}\n' - ) - - script_content = \ -f"""#!/usr/bin/env python -import logging -from aiida.manage.configuration import load_profile - -load_profile(profile='{configuration.PROFILE.name}') - -from aiida.manage.backup.backup_general import Backup - -# Create the backup instance -backup_inst = Backup(backup_info_filepath="{final_conf_filepath}", additional_back_time_mins=2) - -# Define the backup logging level -backup_inst._logger.setLevel(logging.INFO) - -# Start the backup -backup_inst.run() -""" - - # Script full path - script_path = os.path.join(conf_backup_folder_abs, self._script_filename) - - # Write the contents to the script - with open(script_path, 'w', encoding='utf8') as script_file: - script_file.write(script_content) - - # Set the right permissions - try: - statistics = os.stat(script_path) - os.chmod(script_path, statistics.st_mode | stat.S_IEXEC) - except OSError: - self._logger.error('Problem setting the right permissions to the script %s.', script_path) - raise - - sys.stdout.write('Backup setup completed.\n') - - -if __name__ == '__main__': - BackupSetup().run() diff --git a/aiida/manage/backup/backup_utils.py b/aiida/manage/backup/backup_utils.py deleted file mode 100644 index b00b1c7320..0000000000 --- a/aiida/manage/backup/backup_utils.py +++ /dev/null @@ -1,126 +0,0 @@ -# -*- 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 # -########################################################################### -# pylint: disable=redefined-builtin -"""Utilities for the backup functionality.""" - -import datetime -import sys - -import dateutil - - -def ask_question(question, reply_type, allow_none_as_answer=True): - """ - This method asks a specific question, tries to parse the given reply - and then it verifies the parsed answer. - :param question: The question to be asked. - :param reply_type: The type of the expected answer (int, datetime etc). It - is needed for the parsing of the answer. - :param allow_none_as_answer: Allow empty answers? - :return: The parsed reply. - """ - final_answer = None - - while True: - answer = query_string(question, '') - - # If the reply is empty - if not answer: - if not allow_none_as_answer: - continue - # Otherwise, try to parse it - else: - try: - if reply_type == int: - final_answer = int(answer) - elif reply_type == float: - final_answer = float(answer) - elif reply_type == datetime.datetime: - final_answer = dateutil.parser.parse(answer) - else: - raise ValueError - # If it is not parsable... - except ValueError: - sys.stdout.write(f'The given value could not be parsed. Type expected: {reply_type}\n') - # If the timestamp could not have been parsed, - # ask again the same question. - continue - - if query_yes_no(f'{final_answer} was parsed. Is it correct?', default='yes'): - break - return final_answer - - -def query_yes_no(question, default='yes'): - """Ask a yes/no question via input() and return their answer. - - "question" is a string that is presented to the user. - "default" is the presumed answer if the user just hits . - It must be "yes" (the default), "no" or None (meaning - an answer is required of the user). - - The "answer" return value is True for "yes" or False for "no". - """ - valid = {'yes': True, 'y': True, 'ye': True, 'no': False, 'n': False} - if default is None: - prompt = ' [y/n] ' - elif default == 'yes': - prompt = ' [Y/n] ' - elif default == 'no': - prompt = ' [y/N] ' - else: - raise ValueError(f"invalid default answer: '{default}'") - - while True: - choice = input(question + prompt).lower() - if default is not None and not choice: - return valid[default] - - if choice in valid: - return valid[choice] - - sys.stdout.write("Please respond with 'yes' or 'no' (or 'y' or 'n').\n") - - -def query_string(question, default): - """ - Asks a question (with the option to have a default, predefined answer, - and depending on the default answer and the answer of the user the - following options are available: - - If the user replies (with a non empty answer), then his answer is - returned. - - If the default answer is None then the user has to reply with a non-empty - answer. - - If the default answer is not None, then it is returned if the user gives - an empty answer. In the case of empty default answer and empty reply from - the user, None is returned. - :param question: The question that we want to ask the user. - :param default: The default answer (if there is any) to the question asked. - :return: The returned reply. - """ - - if default is None or not default: - prompt = '' - else: - prompt = f' [{default}]' - - while True: - reply = input(question + prompt) - if default is not None and not reply: - # If the default answer is an empty string. - if not default: - return None - - return default - - if reply: - return reply - - sys.stdout.write('Please provide a non empty answer.\n') diff --git a/docs/source/howto/installation.rst b/docs/source/howto/installation.rst index f9a2f75774..a5220f4688 100644 --- a/docs/source/howto/installation.rst +++ b/docs/source/howto/installation.rst @@ -443,75 +443,12 @@ A full backup of an AiiDA instance and AiiDA managed data requires a backup of: * queryable metadata in the PostgreSQL database (one per profile). -.. _how-to:installation:backup:repository: +.. todo:: -Repository backup (``.aiida`` folder) -------------------------------------- + .. _how-to:installation:backup:repository: -For **small repositories** (with less than ~100k files), simply back up the ``.aiida`` folder using standard backup software. -For example, the ``rsync`` utility supports incremental backups, and a backup command might look like ``rsync -avHzPx`` (verbose) or ``rsync -aHzx``. + title: Repository backup -For **large repositories** with millions of files, even incremental backups can take a significant amount of time. -AiiDA provides a helper script that takes advantage of the AiiDA database in order to figure out which files have been added since your last backup. -The instructions below explain how to use it: - - 1. Configure your backup using ``verdi -p PROFILENAME devel configure-backup`` where ``PROFILENAME`` is the name of the AiiDA profile that should be backed up. - This will ask for information on: - - * The "backup folder", where the backup *configuration file* will be placed. - This defaults to a folder named ``backup_PROFILENAME`` in your ``.aiida`` directory. - - * The "destination folder", where the files of the backup will be stored. - This defaults to a subfolder of the backup folder but we **strongly suggest to back up to a different drive** (see note below). - - The configuration step creates two files in the "backup folder": a ``backup_info.json`` configuration file (can also be edited manually) and a ``start_backup.py`` script. - - .. dropdown:: Notes on using a SSH mount for the backups (on Linux) - - Using the same disk for your backup forgoes protection against the most common cause of data loss: disk failure. - One simple option is to use a destination folder mounted over ssh. - - On Ubuntu, install ``sshfs`` using ``sudo apt-get install sshfs``. - Imagine you run your calculations on `server_1` and would like to back up regularly to `server_2`. - Mount a `server_2` directory on `server_1` using the following command on `server_1`: - - .. code-block:: shell - - sshfs -o idmap=user -o rw backup_user@server_2:/home/backup_user/backup_destination_dir/ /home/aiida_user/remote_backup_dir/ - - Use ``gnome-session-properties`` in the terminal to add this line to the actions performed at start-up. - Do **not** add it to your shell's startup file (e.g. ``.bashrc``) or your computer will complain that the mount point is not empty whenever you open a new terminal. - - 2. Run the ``start_backup.py`` script in the "backup folder" to start the backup. - - This will back up all data added after the ``oldest_object_backedup`` date. - It will only carry out a new backup every ``periodicity`` days, until a certain end date if specified (using ``end_date_of_backup`` or ``days_to_backup``), see :ref:`this reference page ` for a detailed description of all options. - - Once you've checked that it works, make sure to run the script periodically (e.g. using a daily cron job). - - .. dropdown:: Setting up a cron job on Linux - - This is a quick note on how to setup a cron job on Linux (you can find many more resources online). - - On Ubuntu, you can set up a cron job using: - - .. code-block:: bash - - sudo crontab -u USERNAME -e - - It will open an editor, where you can add a line of the form:: - - 00 03 * * * /home/USERNAME/.aiida/backup/start_backup.py 2>&1 | mail -s "Incremental backup of the repository" USER_EMAIL@domain.net - - or (if you need to backup a different profile than the default one):: - - 00 03 * * * verdi -p PROFILENAME run /home/USERNAME/.aiida/backup/start_backup.py 2>&1 | mail -s "Incremental backup of the repository" USER_EMAIL@domain.net - - This will launch the backup of the database every day at 3 AM (03:00), and send the output (or any error message) to the email address specified at the end (provided the ``mail`` command -- from ``mailutils`` -- is configured appropriately). - -.. note:: - - You might want to exclude the file repository from any separately set up automatic backups of your home directory. .. _how-to:installation:backup:postgresql: diff --git a/docs/source/reference/backup_script.rst b/docs/source/reference/backup_script.rst deleted file mode 100644 index e7c2103304..0000000000 --- a/docs/source/reference/backup_script.rst +++ /dev/null @@ -1,39 +0,0 @@ -.. _reference:backup-script-config-options: - -********************************************** -Repository backup script configuration options -********************************************** - -We describe below the configuration options for the repository backup script that is provided with AiiDA (whose use is described :ref:`in this howto `). - -Here are the flags that can be set in the ``backup_info.json`` file and their meaning: - -* ``periodicity`` (in `days`): The backup runs periodically for a number of days defined in the periodicity variable. - The purpose of this variable is to limit the backup to run only on a few number of days and therefore to limit the number of files that are backed up at every round. - E.g. ``"periodicity": 2``. - - Example: If you have files in the AiiDA repositories created in the past 30 days, and periodicity is 15, the first run will backup the files of the first 15 days; a second run of the script will backup the next 15 days, completing the backup (if it is run within the same day). - Further runs will only backup newer files, if they are created. - -* ``oldest_object_backedup`` (`timestamp` or ``null``): This is the timestamp of the oldest object that was backed up. - If you are not aware of this value or if it is the first time you start a backup for this repository, then set this value to ``null``. - Then the script will search the creation date of the oldest Node object in the database and start the backup from that date. - E.g. ``"oldest_object_backedup": "2015-07-20 11:13:08.145804+02:00"`` - -* ``end_date_of_backup`` (`timestamp` or ``null``): If set, the backup script will backup files that have a modification date up until the value specified by this variable. - If not set, the ending of the backup will be set by the ``days_to_backup`` variable, which specifies how many days to backup from the start of the backup. - If none of these variables are set (``end_date_of_backup`` and ``days_to_backup``), then the end date of backup is set to the current date. - E.g. ``"end_date_of_backup": null`` or ``"end_date_of_backup": "2015-07-20 11:13:08.145804+02:00"``. - -* ``days_to_backup`` (in `days` or ``null``): If set, you specify how many days you will backup from the starting date of your backup. - If it is set to ``null`` and also ``end_date_of_backup`` is set to ``null``, then the end date of the backup is set to the current date. - You can not set ``days_to_backup`` & ``end_date_of_backup`` at the same time (it will lead to an error). - E.g. ``"days_to_backup": null`` or ``"days_to_backup": 5``. - -* ``backup_length_threshold`` (in `hours`): The backup script runs in rounds and on every round it will backup a number of days that are controlled primarily by ``periodicity`` and also by ``end_date_of_backup`` / ``days_to_backup``, for the last backup round. - The ``backup_length_threshold`` specifies the *lowest acceptable* round length. - This is important for the end of the backup. - E.g. ``backup_length_threshold: 1`` - -* ``backup_dir`` (absolute path): The destination directory of the backup. - E.g. ``"backup_dir": "/home/USERNAME/.aiida/backup/backup_dest"``. diff --git a/docs/source/reference/command_line.rst b/docs/source/reference/command_line.rst index 88065b134f..4714943104 100644 --- a/docs/source/reference/command_line.rst +++ b/docs/source/reference/command_line.rst @@ -247,7 +247,6 @@ Below is a list with all available subcommands. Commands: check-load-time Check for common indicators that slowdown `verdi`. check-undesired-imports Check that verdi does not import python modules it shouldn't. - configure-backup Configure backup of the repository folder. run_daemon Run a daemon instance in the current interpreter. tests Run the unittest suite or parts of it. validate-plugins Validate all plugins by checking they can be loaded. diff --git a/docs/source/reference/index.rst b/docs/source/reference/index.rst index 0891db8ee1..4296c849a3 100644 --- a/docs/source/reference/index.rst +++ b/docs/source/reference/index.rst @@ -8,4 +8,3 @@ Reference command_line api/index rest_api - backup_script diff --git a/tests/common/test_utils.py b/tests/common/test_utils.py index ea93d7eb04..c01f0a3aab 100644 --- a/tests/common/test_utils.py +++ b/tests/common/test_utils.py @@ -8,11 +8,8 @@ # For further information please visit http://www.aiida.net # ########################################################################### """Tests for the aiida.common.utils functionality.""" -import datetime import unittest -from dateutil.parser import parse - from aiida.common import escaping from aiida.common import utils @@ -54,105 +51,6 @@ def array_counter(self): self.seq += 1 return self.seq - def test_query_yes_no(self): - """ - This method tests the query_yes_no method behaves as expected. To - perform this, a lambda function is used to simulate the user input. - """ - from aiida.common.utils import Capturing - from aiida.manage.backup import backup_utils - - # Capture the sysout for the following code - with Capturing(): - # Check the yes - backup_utils.input = lambda _: 'y' - self.assertTrue(backup_utils.query_yes_no('', 'yes')) - - backup_utils.input = lambda _: 'yes' - self.assertTrue(backup_utils.query_yes_no('', 'yes')) - - # Check the no - backup_utils.input = lambda _: 'no' - self.assertFalse(backup_utils.query_yes_no('', 'yes')) - - backup_utils.input = lambda _: 'n' - self.assertFalse(backup_utils.query_yes_no('', 'yes')) - - # Check the empty default value that should - # lead to an error - with self.assertRaises(ValueError): - backup_utils.query_yes_no('', '') - - # Check that a None default value and no answer from - # the user should lead to the repetition of the query until - # it is answered properly - self.seq = -1 - answers = ['', '', '', 'yes'] - backup_utils.input = lambda _: answers[self.array_counter()] - self.assertTrue(backup_utils.query_yes_no('', None)) - self.assertEqual(self.seq, len(answers) - 1) - - # Check that the default answer is returned - # when the user doesn't give an answer - backup_utils.input = lambda _: '' - self.assertTrue(backup_utils.query_yes_no('', 'yes')) - - backup_utils.input = lambda _: '' - self.assertFalse(backup_utils.query_yes_no('', 'no')) - - def test_query_string(self): - """ - This method tests that the query_string method behaves as expected. - """ - from aiida.manage.backup import backup_utils - - # None should be returned when empty answer and empty default - # answer is given - backup_utils.input = lambda _: '' - self.assertIsNone(backup_utils.query_string('', '')) - - # If no answer is given then the default answer should be returned - backup_utils.input = lambda _: '' - self.assertEqual(backup_utils.query_string('', 'Def_answer'), 'Def_answer') - - # The answer should be returned when the an answer is given by - # the user - backup_utils.input = lambda _: 'Usr_answer' - self.assertEqual(backup_utils.query_string('', 'Def_answer'), 'Usr_answer') - - def test_ask_backup_question(self): - """ - This method checks that the combined use of query_string and - query_yes_no by the ask_backup_question is done as expected. - """ - from aiida.common.utils import Capturing - from aiida.manage.backup import backup_utils - - # Capture the sysout for the following code - with Capturing(): - # Test that a question that asks for an integer is working - # The given answers are in order: - # - a non-accepted empty answer - # - an answer that can not be parsed based on the given type - # - the final expected answer - self.seq = -1 - answers = ['', '3fd43', '1', 'yes'] - backup_utils.input = lambda _: answers[self.array_counter()] - self.assertEqual(backup_utils.ask_question('', int, False), int(answers[2])) - - # Test that a question that asks for a date is working correctly. - # The behavior is similar to the above test. - self.seq = -1 - answers = ['', '3fd43', '2015-07-28 20:48:53.197537+02:00', 'yes'] - backup_utils.input = lambda _: answers[self.array_counter()] - self.assertEqual(backup_utils.ask_question('', datetime.datetime, False), parse(answers[2])) - - # Check that None is not allowed as answer - question = '' - answer = '' - backup_utils.input = lambda x: answer if x == question else 'y' - self.assertEqual(backup_utils.ask_question(question, int, True), None) - class PrettifierTest(unittest.TestCase): """ diff --git a/tests/manage/backup/__init__.py b/tests/manage/backup/__init__.py deleted file mode 100644 index 2776a55f97..0000000000 --- a/tests/manage/backup/__init__.py +++ /dev/null @@ -1,9 +0,0 @@ -# -*- 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 # -########################################################################### diff --git a/tests/manage/backup/test_backup_script.py b/tests/manage/backup/test_backup_script.py deleted file mode 100644 index 0304dc4cad..0000000000 --- a/tests/manage/backup/test_backup_script.py +++ /dev/null @@ -1,378 +0,0 @@ -# -*- 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 # -########################################################################### -# pylint: disable=protected-access,invalid-name -"""Tests for the Backup classes.""" -import datetime -import importlib -import shutil -import sys -import tempfile - -from dateutil.parser import parse -import pytest - -from aiida.backends.testbase import AiidaTestCase -from aiida.common import utils, json -from aiida.manage.backup import backup_setup, backup_utils -from aiida.manage.backup.backup_general import Backup - - -class TestBackupScriptUnit(AiidaTestCase): - """Unit tests of the Backup classes.""" - - _json_test_input_1 = '{"backup_length_threshold": 2, "periodicity": 2,' + \ - ' "oldest_object_backedup": "2014-07-18 13:54:53.688484+00:00", ' + \ - '"end_date_of_backup": null, "days_to_backup": null, "backup_dir": ' +\ - '"/scratch/aiida_user/backupScriptDest"}' - - _json_test_input_2 = '{"backup_length_threshold": 2, "periodicity": 2, ' +\ - '"oldest_object_backedup": "2014-07-18 13:54:53.688484+00:00", ' + \ - '"end_date_of_backup": null, "days_to_backup": null, "backup_dir": ' +\ - '"/scratch/aiida_user/backupScriptDest"}' - - _json_test_input_3 = '{"backup_length_threshold": 2, "periodicity": 2, ' +\ - '"oldest_object_backedup": "2014-07-18 13:54:53.688484+00:00", ' + \ - '"end_date_of_backup": null, "days_to_backup": 2, "backup_dir": ' + \ - '"/scratch/aiida_user/backupScriptDest"}' - - _json_test_input_4 = '{"backup_length_threshold": 2, "periodicity": 2, ' +\ - '"oldest_object_backedup": "2014-07-18 13:54:53.688484+00:00", ' + \ - '"end_date_of_backup": "2014-07-22 14:54:53.688484+00:00", ' + \ - '"days_to_backup": null, "backup_dir": ' + \ - '"/scratch/aiida_user/backupScriptDest"}' - - _json_test_input_5 = '{"backup_length_threshold": 2, "periodicity": 2, ' +\ - '"oldest_object_backedup": "2014-07-18 13:54:53.688484+00:00", ' + \ - '"end_date_of_backup": "2014-07-22 14:54:53.688484+00:00", ' + \ - '"days_to_backup": 2, "backup_dir": "/scratch/aiida_user/backup"}' - - _json_test_input_6 = '{"backup_length_threshold": 2, "periodicity": 2, ' +\ - '"oldest_object_backedup": "2014-07-18 13:54:53.688484", ' + \ - '"end_date_of_backup": "2014-07-22 14:54:53.688484", ' + \ - '"days_to_backup": null, ' \ - '"backup_dir": "/scratch/./aiida_user////backup//"}' - - def setUp(self): - super().setUp() - self._backup_setup_inst = Backup('', 2) - - def tearDown(self): - super().tearDown() - self._backup_setup_inst = None - - def test_loading_basic_params_from_file(self): - """ - This method tests the correct loading of the basic _backup_setup_inst - parameters from a JSON string. - """ - backup_variables = json.loads(self._json_test_input_1) - self._backup_setup_inst._ignore_backup_dir_existence_check = True - self._backup_setup_inst._read_backup_info_from_dict(backup_variables) - - self.assertEqual( - self._backup_setup_inst._oldest_object_bk, parse('2014-07-18 13:54:53.688484+00:00'), - 'Last _backup_setup_inst start date is not parsed correctly' - ) - - # The destination directory of the _backup_setup_inst - self.assertEqual( - self._backup_setup_inst._backup_dir, '/scratch/aiida_user/backupScriptDest', - '_backup_setup_inst destination directory not parsed correctly' - ) - - self.assertEqual( - self._backup_setup_inst._backup_length_threshold, datetime.timedelta(hours=2), - '_backup_length_threshold not parsed correctly' - ) - - self.assertEqual(self._backup_setup_inst._periodicity, 2, '_periodicity not parsed correctly') - - def test_loading_backup_time_params_from_file_1(self): - """ - This method tests that the _backup_setup_inst limits are correctly - loaded from the JSON string and are correctly set. - - In the parsed JSON string, no _backup_setup_inst end limits are set - """ - backup_variables = json.loads(self._json_test_input_2) - self._backup_setup_inst._ignore_backup_dir_existence_check = True - self._backup_setup_inst._read_backup_info_from_dict(backup_variables) - - self.assertEqual( - self._backup_setup_inst._days_to_backup, None, '_days_to_backup should be None/null but it is not' - ) - - self.assertEqual( - self._backup_setup_inst._end_date_of_backup, None, '_end_date_of_backup should be None/null but it is not' - ) - - self.assertEqual( - self._backup_setup_inst._internal_end_date_of_backup, None, - '_internal_end_date_of_backup should be None/null but it is not' - ) - - def test_loading_backup_time_params_from_file_2(self): - """ - This method tests that the _backup_setup_inst limits are correctly - loaded from the JSON string and are correctly set. - - In the parsed JSON string, only the daysToBackup limit is set. - """ - backup_variables = json.loads(self._json_test_input_3) - self._backup_setup_inst._ignore_backup_dir_existence_check = True - self._backup_setup_inst._read_backup_info_from_dict(backup_variables) - - self.assertEqual(self._backup_setup_inst._days_to_backup, 2, '_days_to_backup should be 2 but it is not') - - self.assertEqual( - self._backup_setup_inst._end_date_of_backup, None, '_end_date_of_backup should be None/null but it is not' - ) - - self.assertEqual( - self._backup_setup_inst._internal_end_date_of_backup, parse('2014-07-20 13:54:53.688484+00:00'), - '_internal_end_date_of_backup is not the expected one' - ) - - def test_loading_backup_time_params_from_file_3(self): - """ - This method tests that the _backup_setup_inst limits are correctly - loaded from the JSON string and are correctly set. - - In the parsed JSON string, only the endDateOfBackup limit is set. - """ - backup_variables = json.loads(self._json_test_input_4) - self._backup_setup_inst._ignore_backup_dir_existence_check = True - self._backup_setup_inst._read_backup_info_from_dict(backup_variables) - - self.assertEqual( - self._backup_setup_inst._days_to_backup, None, '_days_to_backup should be None/null but it is not' - ) - - self.assertEqual( - self._backup_setup_inst._end_date_of_backup, parse('2014-07-22 14:54:53.688484+00:00'), - '_end_date_of_backup should be None/null but it is not' - ) - - self.assertEqual( - self._backup_setup_inst._internal_end_date_of_backup, parse('2014-07-22 14:54:53.688484+00:00'), - '_internal_end_date_of_backup is not the expected one' - ) - - def test_loading_backup_time_params_from_file_4(self): - """ - This method tests that the _backup_setup_inst limits are correctly - loaded from the JSON string and are correctly set. - - In the parsed JSON string, the endDateOfBackup & daysToBackuplimit - are set which should lead to an exception. - """ - from aiida.manage.backup.backup_base import BackupError - - backup_variables = json.loads(self._json_test_input_5) - self._backup_setup_inst._ignore_backup_dir_existence_check = True - # An exception should be raised because endDateOfBackup - # & daysToBackuplimit have been defined in the same time. - with self.assertRaises(BackupError): - self._backup_setup_inst._read_backup_info_from_dict(backup_variables) - - def check_full_deserialization_serialization(self, input_string, backup_inst): - """Utility function to compare input string with content from Backup classes.""" - input_variables = json.loads(input_string) - backup_inst._ignore_backup_dir_existence_check = True - backup_inst._read_backup_info_from_dict(input_variables) - target_variables = backup_inst._dictionarize_backup_info() - - self.assertEqual( - input_variables, target_variables, - f'The test string {input_string} did not succeed' + ' the serialization deserialization test.\n' + - f'Input variables: {input_variables}\n' + f'Output variables: {target_variables}\n' - ) - - def test_full_deserialization_serialization_1(self): - """ - This method tests the correct deserialization / serialization of the - variables that should be stored in a file. - """ - input_string = self._json_test_input_1 - backup_inst = self._backup_setup_inst - - self.check_full_deserialization_serialization(input_string, backup_inst) - - def test_full_deserialization_serialization_2(self): - """ - This method tests the correct deserialization / serialization of the - variables that should be stored in a file. - """ - input_string = self._json_test_input_2 - backup_inst = self._backup_setup_inst - - self.check_full_deserialization_serialization(input_string, backup_inst) - - def test_full_deserialization_serialization_3(self): - """ - This method tests the correct deserialization / serialization of the - variables that should be stored in a file. - """ - input_string = self._json_test_input_3 - backup_inst = self._backup_setup_inst - - self.check_full_deserialization_serialization(input_string, backup_inst) - - def test_full_deserialization_serialization_4(self): - """ - This method tests the correct deserialization / serialization of the - variables that should be stored in a file. - """ - input_string = self._json_test_input_4 - backup_inst = self._backup_setup_inst - - self.check_full_deserialization_serialization(input_string, backup_inst) - - def test_timezone_addition_and_dir_correction(self): - """ - This method tests if the timezone is added correctly to timestamps - that don't have a timezone. Moreover, it checks if the given directory - paths are normalized as expected. - """ - - backup_variables = json.loads(self._json_test_input_6) - self._backup_setup_inst._ignore_backup_dir_existence_check = True - self._backup_setup_inst._read_backup_info_from_dict(backup_variables) - - self.assertIsNotNone( - self._backup_setup_inst._oldest_object_bk.tzinfo, - f'Timezone info should not be none (timestamp: {self._backup_setup_inst._oldest_object_bk}).' - ) - - self.assertIsNotNone( - self._backup_setup_inst._end_date_of_backup.tzinfo, - f'Timezone info should not be none (timestamp: {self._backup_setup_inst._end_date_of_backup}).' - ) - - self.assertIsNotNone( - self._backup_setup_inst._internal_end_date_of_backup.tzinfo, - f'Timezone info should not be none (timestamp: {self._backup_setup_inst._internal_end_date_of_backup}).' - ) - - # The destination directory of the _backup_setup_inst - self.assertEqual( - self._backup_setup_inst._backup_dir, '/scratch/aiida_user/backup', - '_backup_setup_inst destination directory is not normalized as expected.' - ) - - -class TestBackupScriptIntegration(AiidaTestCase): - """Integration tests for the Backup classes.""" - - _aiida_rel_path = '.aiida' - _backup_rel_path = 'backup' - _repo_rel_path = 'repository' - - @classmethod - def setUpClass(cls, *args, **kwargs): - super().setUpClass(*args, **kwargs) - cls._bs_instance = backup_setup.BackupSetup() - - # Tracked in issue #2134 - @pytest.mark.flaky(reruns=2) - def test_integration(self): - """Test integration""" - from aiida.common.utils import Capturing - - # Fill in the repository with data - self.fill_repo() - try: - # Create a temp folder where the backup files will be placed - # and the backup will be stored - temp_folder = tempfile.mkdtemp() - - # Capture the sysout of the following command - with Capturing(): - # Create the backup scripts - backup_full_path = self.create_backup_scripts(temp_folder) - - # Put the backup folder in the path - sys.path.append(backup_full_path) - - # Import the backup script - this action will also run it - # It is assumed that the backup script ends with .py - importlib.import_module(self._bs_instance._script_filename[:-3]) - - # Check the backup - import os - from aiida.manage.configuration import get_profile - from aiida.common.utils import are_dir_trees_equal - - dirpath_repository = get_profile().repository_path - source_dir = os.path.join(dirpath_repository, self._repo_rel_path) - dest_dir = os.path.join(backup_full_path, self._bs_instance._file_backup_folder_rel, self._repo_rel_path) - res, msg = are_dir_trees_equal(source_dir, dest_dir) - self.assertTrue( - res, 'The backed-up repository has differences to the original one. ' + str(msg) + - '. If the test fails, report it in issue #2134.' - ) - finally: - shutil.rmtree(temp_folder, ignore_errors=True) - - def fill_repo(self): - """Utility function to create repository nodes""" - from aiida.orm import CalcJobNode, Data, Dict - - extra_name = self.__class__.__name__ + '/test_with_subclasses' - resources = {'num_machines': 1, 'num_mpiprocs_per_machine': 1} - - a1 = CalcJobNode(computer=self.computer) - a1.set_option('resources', resources) - a1.store() - # To query only these nodes later - a1.set_extra(extra_name, True) - a3 = Data().store() - a3.set_extra(extra_name, True) - a4 = Dict(dict={'a': 'b'}).store() - a4.set_extra(extra_name, True) - a5 = Data().store() - a5.set_extra(extra_name, True) - # I don't set the extras, just to be sure that the filtering works - # The filtering is needed because other tests will put stuff int he DB - a6 = CalcJobNode(computer=self.computer) - a6.set_option('resources', resources) - a6.store() - a7 = Data() - a7.store() - - def create_backup_scripts(self, tmp_folder): - """Utility function to create backup scripts""" - backup_full_path = f'{tmp_folder}/{self._aiida_rel_path}/{self._backup_rel_path}/' - # The predefined answers for the setup script - ac = utils.ArrayCounter() - answers = [ - backup_full_path, # the backup folder path - '', # should the folder be created? - '', # destination folder of the backup - '', # should the folder be created? - 'n', # print config explanation? - '', # configure the backup conf file now? - '', # start date of backup? - '', # is it correct? - '', # days to backup? - '', # is it correct? - '', # end date of backup - '', # is it correct? - '1', # periodicity - '', # is it correct? - '0', # threshold? - '' # is it correct? - ] - backup_utils.input = lambda _: answers[ac.array_counter()] - - # Run the setup script - self._bs_instance.run() - - return backup_full_path diff --git a/tests/manage/backup/test_backup_setup_script.py b/tests/manage/backup/test_backup_setup_script.py deleted file mode 100644 index 0ffa6718f7..0000000000 --- a/tests/manage/backup/test_backup_setup_script.py +++ /dev/null @@ -1,126 +0,0 @@ -# -*- 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 # -########################################################################### -"""Tests for the backup setup script.""" - -import os -import shutil -import tempfile - -from aiida.backends.testbase import AiidaTestCase -from aiida.common import json, utils -from aiida.manage.backup import backup_setup, backup_utils -from aiida.manage.backup.backup_base import AbstractBackup - - -class TestBackupSetupScriptUnit(AiidaTestCase): - """Test construction of the backup setup script""" - - def tearDown(self): - backup_utils.input = None - - def test_construct_backup_variables(self): - """ - Test that checks that the backup variables are populated as it - should by the construct_backup_variables by asking the needed - questions. A lambda function is used to simulate the user input. - """ - _backup_setup_inst = backup_setup.BackupSetup() - counter = utils.ArrayCounter() - - # Checking parsing of backup variables with many empty answers - answers = ['', 'y', '', 'y', '', 'y', '1', 'y', '2', 'y'] - backup_utils.input = lambda _: answers[counter.array_counter()] - bk_vars = _backup_setup_inst.construct_backup_variables('') - # Check the parsed answers - self.assertIsNone(bk_vars[AbstractBackup.OLDEST_OBJECT_BK_KEY]) - self.assertIsNone(bk_vars[AbstractBackup.DAYS_TO_BACKUP_KEY]) - self.assertIsNone(bk_vars[AbstractBackup.END_DATE_OF_BACKUP_KEY]) - self.assertEqual(bk_vars[AbstractBackup.PERIODICITY_KEY], 1) - self.assertEqual(bk_vars[AbstractBackup.BACKUP_LENGTH_THRESHOLD_KEY], 2) - - # Checking parsing of backup variables with all the answers given - counter = utils.ArrayCounter() - answers = [ - '2013-07-28 20:48:53.197537+02:00', 'y', '2', 'y', '2015-07-28 20:48:53.197537+02:00', 'y', '3', 'y', '4', - 'y' - ] - backup_utils.input = lambda _: answers[counter.array_counter()] - bk_vars = _backup_setup_inst.construct_backup_variables('') - # Check the parsed answers - self.assertEqual(bk_vars[AbstractBackup.OLDEST_OBJECT_BK_KEY], answers[0]) - self.assertEqual(bk_vars[AbstractBackup.DAYS_TO_BACKUP_KEY], 2) - self.assertEqual(bk_vars[AbstractBackup.END_DATE_OF_BACKUP_KEY], answers[4]) - self.assertEqual(bk_vars[AbstractBackup.PERIODICITY_KEY], 3) - self.assertEqual(bk_vars[AbstractBackup.BACKUP_LENGTH_THRESHOLD_KEY], 4) - - -class TestBackupSetupScriptIntegration(AiidaTestCase): - """Test all of the backup setup script.""" - - def test_full_backup_setup_script(self): - """ - This method is a full test of the backup setup script. It launches it, - replies to all the question as the user would do and in the end it - checks that the correct files were created with the right content. - """ - from aiida.common.utils import Capturing - - # Create a temp folder where the backup files will be placed - temp_folder = tempfile.mkdtemp() - - try: - temp_aiida_folder = os.path.join(temp_folder, '.aiida') - # The predefined answers for the setup script - - counter = utils.ArrayCounter() - answers = [ - temp_aiida_folder, # the backup folder path - '', # should the folder be created? - '', # destination folder of the backup - '', # should the folder be created? - 'n', # print config explanation? - '', # configure the backup conf file now? - '2014-07-18 13:54:53.688484+00:00', # start date of backup? - '', # is it correct? - '', # days to backup? - '', # is it correct? - '2015-04-11 13:55:53.688484+00:00', # end date of backup - '', # is it correct? - '1', # periodicity - '', # is it correct? - '2', # threshold? - '' # is it correct? - ] - backup_utils.input = lambda _: answers[counter.array_counter()] - - # Run the setup script and catch the sysout - with Capturing(): - backup_setup.BackupSetup().run() - - # Get the backup configuration files & dirs - backup_conf_records = os.listdir(temp_aiida_folder) - # Check if all files & dirs are there - self.assertTrue( - backup_conf_records is not None and len(backup_conf_records) == 4 and - 'backup_dest' in backup_conf_records and 'backup_info.json.tmpl' in backup_conf_records and - 'start_backup.py' in backup_conf_records and 'backup_info.json' in backup_conf_records, - f'The created backup folder does not have the expected files. It contains: {backup_conf_records}.' - ) - - # Check the content of the main backup configuration file - with open(os.path.join(temp_aiida_folder, 'backup_info.json'), encoding='utf8') as conf_jfile: - conf_cont = json.load(conf_jfile) - self.assertEqual(conf_cont[AbstractBackup.OLDEST_OBJECT_BK_KEY], '2014-07-18 13:54:53.688484+00:00') - self.assertEqual(conf_cont[AbstractBackup.DAYS_TO_BACKUP_KEY], None) - self.assertEqual(conf_cont[AbstractBackup.END_DATE_OF_BACKUP_KEY], '2015-04-11 13:55:53.688484+00:00') - self.assertEqual(conf_cont[AbstractBackup.PERIODICITY_KEY], 1) - self.assertEqual(conf_cont[AbstractBackup.BACKUP_LENGTH_THRESHOLD_KEY], 2) - finally: - shutil.rmtree(temp_folder, ignore_errors=True) From ee7a65ec8cc528a95798eeb0ff85a35b17c1e8db Mon Sep 17 00:00:00 2001 From: Sebastiaan Huber Date: Sun, 12 Jul 2020 23:30:11 +0200 Subject: [PATCH 05/13] Integrate the new `Repository` implementation The new `Repository` implementation is integrated by wrapping it in a new class `NodeRepository` that is mixed into the `Node` class. This approach serves multiple purposes. 1. The class serves as a backwards compatibility layer between the old repository interface, which would allow clients to set the mode for file handles for reading, as well as passing in text-like streams, and the new interface, which exclusively operates with bytes. The interface will decode the bytes when the caller is expecting normal strings in order to not break the interface. 2. It allows to implement the concept of immutability which is a concept of the `Node` and is completely unknown to the `Repository` class. 3. It nicely separates the file repository functionality into a separate file preventing the already huge `Node` implementation from getting even larger. The downside of the latter is that the `NodeRepository` class contains some potentially confusing logic. It accesses `Node` properties, but from the code it is not clear where they come from. Since this class is only meant to be used as a mixin for the `Node` class, I think that is a sacrifice that is worth the benefits. --- .../0014_add_node_uuid_unique_constraint.py | 2 +- aiida/backends/general/migrations/utils.py | 98 +++- aiida/cmdline/commands/cmd_node.py | 2 +- aiida/engine/daemon/execmanager.py | 7 +- aiida/manage/configuration/profile.py | 15 + .../database/integrity/duplicate_uuid.py | 5 - aiida/orm/nodes/data/array/array.py | 2 +- aiida/orm/nodes/data/cif.py | 11 +- aiida/orm/nodes/data/code.py | 2 +- aiida/orm/nodes/data/data.py | 10 +- aiida/orm/nodes/data/singlefile.py | 26 +- aiida/orm/nodes/data/upf.py | 22 +- aiida/orm/nodes/node.py | 459 ++---------------- .../orm/nodes/process/calculation/calcjob.py | 19 - aiida/orm/nodes/process/process.py | 5 +- aiida/orm/nodes/repository.py | 230 +++++++++ aiida/orm/utils/_repository.py | 304 ------------ aiida/orm/utils/mixins.py | 2 +- aiida/orm/utils/repository.py | 31 -- aiida/restapi/translator/nodes/node.py | 4 +- aiida/tools/dbimporters/baseclasses.py | 4 +- aiida/tools/graph/deletions.py | 12 - aiida/tools/importexport/dbexport/__init__.py | 5 +- .../importexport/dbimport/backends/common.py | 3 +- docs/source/howto/plugin_codes.rst | 2 +- .../migrations/test_migrations_many.py | 7 +- tests/cmdline/commands/test_archive_export.py | 3 + tests/cmdline/commands/test_archive_import.py | 2 + tests/cmdline/commands/test_calcjob.py | 3 + tests/cmdline/commands/test_node.py | 5 +- tests/engine/test_calc_job.py | 24 +- tests/orm/node/test_calcjob.py | 2 + tests/orm/node/test_node.py | 26 +- tests/orm/node/test_repository.py | 136 ++++++ tests/orm/utils/test_repository.py | 192 -------- tests/restapi/test_routes.py | 20 +- tests/test_dataclasses.py | 5 +- tests/test_nodes.py | 17 +- tests/tools/importexport/__init__.py | 6 +- .../importexport/test_specific_import.py | 9 +- 40 files changed, 619 insertions(+), 1120 deletions(-) create mode 100644 aiida/orm/nodes/repository.py delete mode 100644 aiida/orm/utils/_repository.py delete mode 100644 aiida/orm/utils/repository.py create mode 100644 tests/orm/node/test_repository.py delete mode 100644 tests/orm/utils/test_repository.py diff --git a/aiida/backends/djsite/db/migrations/0014_add_node_uuid_unique_constraint.py b/aiida/backends/djsite/db/migrations/0014_add_node_uuid_unique_constraint.py index 8d125f2196..0261e5b12c 100644 --- a/aiida/backends/djsite/db/migrations/0014_add_node_uuid_unique_constraint.py +++ b/aiida/backends/djsite/db/migrations/0014_add_node_uuid_unique_constraint.py @@ -27,7 +27,7 @@ def verify_node_uuid_uniqueness(_, __): :raises: IntegrityError if database contains nodes with duplicate UUIDS. """ - from aiida.manage.database.integrity.duplicate_uuid import verify_uuid_uniqueness + from aiida.backends.general.migrations.utils import verify_uuid_uniqueness verify_uuid_uniqueness(table='db_dbnode') diff --git a/aiida/backends/general/migrations/utils.py b/aiida/backends/general/migrations/utils.py index fd1e8c69dc..d82488cf51 100644 --- a/aiida/backends/general/migrations/utils.py +++ b/aiida/backends/general/migrations/utils.py @@ -9,7 +9,6 @@ ########################################################################### # pylint: disable=invalid-name """Various utils that should be used during migrations and migrations tests because the AiiDA ORM cannot be used.""" - import datetime import errno import os @@ -147,3 +146,100 @@ def recursive_datetime_to_isoformat(value): def dumps_json(dictionary): """Transforms all datetime object into isoformat and then returns the JSON.""" return json.dumps(recursive_datetime_to_isoformat(dictionary)) + + +def get_duplicate_uuids(table): + """Retrieve rows with duplicate UUIDS. + + :param table: database table with uuid column, e.g. 'db_dbnode' + :return: list of tuples of (id, uuid) of rows with duplicate UUIDs + """ + from aiida.manage.manager import get_manager + backend = get_manager().get_backend() + return backend.query_manager.get_duplicate_uuids(table=table) + + +def verify_uuid_uniqueness(table): + """Check whether database table contains rows with duplicate UUIDS. + + :param table: Database table with uuid column, e.g. 'db_dbnode' + :type str: + + :raises: IntegrityError if table contains rows with duplicate UUIDS. + """ + from aiida.common import exceptions + duplicates = get_duplicate_uuids(table=table) + + if duplicates: + raise exceptions.IntegrityError( + 'Table {table:} contains rows with duplicate UUIDS: run ' + '`verdi database integrity detect-duplicate-uuid -t {table:}` to address the problem'.format(table=table) + ) + + +def apply_new_uuid_mapping(table, mapping): + """Take a mapping of pks to UUIDs and apply it to the given table. + + :param table: database table with uuid column, e.g. 'db_dbnode' + :param mapping: dictionary of UUIDs mapped onto a pk + """ + from aiida.manage.manager import get_manager + backend = get_manager().get_backend() + backend.query_manager.apply_new_uuid_mapping(table, mapping) + + +def deduplicate_uuids(table=None): + """Detect and solve entities with duplicate UUIDs in a given database table. + + Before aiida-core v1.0.0, there was no uniqueness constraint on the UUID column of the node table in the database + and a few other tables as well. This made it possible to store multiple entities with identical UUIDs in the same + table without the database complaining. This bug was fixed in aiida-core=1.0.0 by putting an explicit uniqueness + constraint on UUIDs on the database level. However, this would leave databases created before this patch with + duplicate UUIDs in an inconsistent state. This command will run an analysis to detect duplicate UUIDs in a given + table and solve it by generating new UUIDs. Note that it will not delete or merge any rows. + + :return: list of strings denoting the performed operations + :raises ValueError: if the specified table is invalid + """ + import distutils.dir_util + from collections import defaultdict + + from aiida.common.utils import get_new_uuid + + mapping = defaultdict(list) + + for pk, uuid in get_duplicate_uuids(table=table): + mapping[uuid].append(int(pk)) + + messages = [] + mapping_new_uuid = {} + + for uuid, rows in mapping.items(): + + uuid_ref = None + + for pk in rows: + + # We don't have to change all rows that have the same UUID, the first one can keep the original + if uuid_ref is None: + uuid_ref = uuid + continue + + uuid_new = str(get_new_uuid()) + mapping_new_uuid[pk] = uuid_new + + messages.append('updated UUID of {} row<{}> from {} to {}'.format(table, pk, uuid_ref, uuid_new)) + dirpath_repo_ref = get_node_repository_sub_folder(uuid_ref) + dirpath_repo_new = get_node_repository_sub_folder(uuid_new) + + # First make sure the new repository exists, then copy the contents of the ref into the new. We use the + # somewhat unknown `distuitils.dir_util` method since that does just contents as we want. + os.makedirs(dirpath_repo_new, exist_ok=True) + distutils.dir_util.copy_tree(dirpath_repo_ref, dirpath_repo_new) + + apply_new_uuid_mapping(table, mapping_new_uuid) + + if not messages: + messages = ['no duplicate UUIDs found'] + + return messages diff --git a/aiida/cmdline/commands/cmd_node.py b/aiida/cmdline/commands/cmd_node.py index 1be70e7ee4..b7ac1e14d2 100644 --- a/aiida/cmdline/commands/cmd_node.py +++ b/aiida/cmdline/commands/cmd_node.py @@ -58,7 +58,7 @@ def repo_cat(node, relative_path): @verdi_node_repo.command('ls') @arguments.NODE() -@click.argument('relative_path', type=str, default='.') +@click.argument('relative_path', type=str, required=False) @click.option('-c', '--color', 'color', flag_value=True, help='Use different color for folders and files.') @with_dbenv() def repo_ls(node, relative_path, color): diff --git a/aiida/engine/daemon/execmanager.py b/aiida/engine/daemon/execmanager.py index 02dc638a99..9e1e3459e3 100644 --- a/aiida/engine/daemon/execmanager.py +++ b/aiida/engine/daemon/execmanager.py @@ -291,7 +291,12 @@ def upload_calculation( relpath = os.path.normpath(os.path.relpath(filepath, folder.abspath)) if relpath not in provenance_exclude_list: with open(filepath, 'rb') as handle: - node._repository.put_object_from_filelike(handle, relpath, 'wb', force=True) # pylint: disable=protected-access + node._repository.put_object_from_filelike(handle, relpath) # pylint: disable=protected-access + + # Since the node is already stored, we cannot use the normal repository interface since it will raise a + # `ModificationNotAllowed` error. To bypass it, we go straight to the underlying repository instance to store the + # files, however, this means we have to manually update the node's repository metadata. + node._update_repository_metadata() # pylint: disable=protected-access if not dry_run: # Make sure that attaching the `remote_folder` with a link is the last thing we do. This gives the biggest diff --git a/aiida/manage/configuration/profile.py b/aiida/manage/configuration/profile.py index 593302116a..d2c874ddbd 100644 --- a/aiida/manage/configuration/profile.py +++ b/aiida/manage/configuration/profile.py @@ -11,6 +11,8 @@ import collections import os +from disk_objectstore import Container + from aiida.common import exceptions from .options import parse_option @@ -110,6 +112,19 @@ def __init__(self, name, attributes, from_config=False): # Currently, whether a profile is a test profile is solely determined by its name starting with 'test_' self._test_profile = bool(self.name.startswith('test_')) + def get_repository_container(self) -> Container: + """Return the container of the profile's file repository. + + :return: the profile's file repository container. + """ + filepath = os.path.join(self.repository_path, 'container') + container = Container(filepath) + + if not container.is_initialised: + container.init_container() + + return container + @property def uuid(self): """Return the profile uuid. diff --git a/aiida/manage/database/integrity/duplicate_uuid.py b/aiida/manage/database/integrity/duplicate_uuid.py index de581b2341..503efd3ebb 100644 --- a/aiida/manage/database/integrity/duplicate_uuid.py +++ b/aiida/manage/database/integrity/duplicate_uuid.py @@ -71,7 +71,6 @@ def deduplicate_uuids(table=None, dry_run=True): from collections import defaultdict from aiida.common.utils import get_new_uuid - from aiida.orm.utils._repository import Repository if table not in TABLES_UUID_DEDUPLICATION: raise ValueError(f"invalid table {table}: choose from {', '.join(TABLES_UUID_DEDUPLICATION)}") @@ -102,10 +101,6 @@ def deduplicate_uuids(table=None, dry_run=True): messages.append(f'would update UUID of {table} row<{pk}> from {uuid_ref} to {uuid_new}') else: messages.append(f'updated UUID of {table} row<{pk}> from {uuid_ref} to {uuid_new}') - repo_ref = Repository(uuid_ref, True, 'path') - repo_new = Repository(uuid_new, False, 'path') - repo_new.put_object_from_tree(repo_ref._get_base_folder().abspath) # pylint: disable=protected-access - repo_new.store() if not dry_run: apply_new_uuid_mapping(table, mapping_new_uuid) diff --git a/aiida/orm/nodes/data/array/array.py b/aiida/orm/nodes/data/array/array.py index b4d00079d4..3d1553e4c5 100644 --- a/aiida/orm/nodes/data/array/array.py +++ b/aiida/orm/nodes/data/array/array.py @@ -169,7 +169,7 @@ def set_array(self, name, array): handle.seek(0) # Write the numpy array to the repository, keeping the byte representation - self.put_object_from_filelike(handle, f'{name}.npy', mode='wb', encoding=None) + self.put_object_from_filelike(handle, f'{name}.npy') # Store the array name and shape for querying purposes self.set_attribute(f'{self.array_prefix}{name}', list(array.shape)) diff --git a/aiida/orm/nodes/data/cif.py b/aiida/orm/nodes/data/cif.py index 6873a94f10..b59e4c4764 100644 --- a/aiida/orm/nodes/data/cif.py +++ b/aiida/orm/nodes/data/cif.py @@ -418,9 +418,7 @@ def get_ase(self, **kwargs): if not kwargs and self._ase: return self.ase with self.open() as handle: - cif = CifData.read_cif(handle, **kwargs) - - return cif + return CifData.read_cif(handle, **kwargs) def set_ase(self, aseatoms): """ @@ -473,7 +471,8 @@ def set_values(self, values): with Capturing(): tmpf.write(values.WriteOut()) tmpf.flush() - self.set_file(tmpf.name) + tmpf.seek(0) + self.set_file(tmpf) self._values = values @@ -785,10 +784,6 @@ def _prepare_cif(self, **kwargs): # pylint: disable=unused-argument If parsed values are present, a CIF string is created and written to file. If no parsed values are present, the CIF string is read from file. """ - if self._values and not self.is_stored: - # Note: this overwrites the CIF file! - self.set_values(self._values) - with self.open(mode='rb') as handle: return handle.read(), {} diff --git a/aiida/orm/nodes/data/code.py b/aiida/orm/nodes/data/code.py index d96924a5cf..b3bade861e 100644 --- a/aiida/orm/nodes/data/code.py +++ b/aiida/orm/nodes/data/code.py @@ -93,7 +93,7 @@ def set_files(self, files): for filename in files: if os.path.isfile(filename): with open(filename, 'rb') as handle: - self.put_object_from_filelike(handle, os.path.split(filename)[1], 'wb', encoding=None) + self.put_object_from_filelike(handle, os.path.split(filename)[1]) def __str__(self): local_str = 'Local' if self.is_local() else 'Remote' diff --git a/aiida/orm/nodes/data/data.py b/aiida/orm/nodes/data/data.py index 872192b48e..dd6c7af6c0 100644 --- a/aiida/orm/nodes/data/data.py +++ b/aiida/orm/nodes/data/data.py @@ -8,7 +8,6 @@ # For further information please visit http://www.aiida.net # ########################################################################### """Module with `Node` sub class `Data` to be used as a base class for data structures.""" - from aiida.common import exceptions from aiida.common.links import LinkType from aiida.common.lang import override @@ -49,26 +48,23 @@ def __copy__(self): def __deepcopy__(self, memo): """ - Create a clone of the Data node by pipiong through to the clone method and return the result. + Create a clone of the Data node by piping through to the clone method and return the result. :returns: an unstored clone of this Data node """ return self.clone() def clone(self): - """ - Create a clone of the Data node. + """Create a clone of the Data node. :returns: an unstored clone of this Data node """ - # pylint: disable=no-member import copy backend_clone = self.backend_entity.clone() clone = self.__class__.from_backend_entity(backend_clone) - clone.reset_attributes(copy.deepcopy(self.attributes)) - clone.put_object_from_tree(self._repository._get_base_folder().abspath) # pylint: disable=protected-access + clone._repository.clone(self._repository) # pylint: disable=protected-access return clone diff --git a/aiida/orm/nodes/data/singlefile.py b/aiida/orm/nodes/data/singlefile.py index eecc0484d3..c647ca93c5 100644 --- a/aiida/orm/nodes/data/singlefile.py +++ b/aiida/orm/nodes/data/singlefile.py @@ -8,6 +8,7 @@ # For further information please visit http://www.aiida.net # ########################################################################### """Data class that can be used to store a single file in its repository.""" +import contextlib import inspect import os import warnings @@ -57,34 +58,19 @@ def filename(self): """ return self.get_attribute('filename') - def open(self, path=None, mode='r', key=None): + @contextlib.contextmanager + def open(self, path=None, mode='r'): """Return an open file handle to the content of this data node. - .. deprecated:: 1.4.0 - Keyword `key` is deprecated and will be removed in `v2.0.0`. Use `path` instead. - - .. deprecated:: 1.4.0 - Starting from `v2.0.0` this will raise if not used in a context manager. - :param path: the relative path of the object within the repository. - :param key: optional key within the repository, by default is the `filename` set in the attributes :param mode: the mode with which to open the file handle (default: read mode) :return: a file handle """ - from ..node import WarnWhenNotEntered - if key is not None: - if path is not None: - raise ValueError('cannot specify both `path` and `key`.') - warnings.warn( - 'keyword `key` is deprecated and will be removed in `v2.0.0`. Use `path` instead.', - AiidaDeprecationWarning - ) # pylint: disable=no-member - path = key - if path is None: path = self.filename - return WarnWhenNotEntered(self._repository.open(path, mode=mode), repr(self)) + with super().open(path, mode=mode) as handle: + yield handle def get_content(self): """Return the content of the single file stored for this data node. @@ -130,7 +116,7 @@ def set_file(self, file, filename=None): pass if is_filelike: - self.put_object_from_filelike(file, key, mode='wb') + self.put_object_from_filelike(file, key) else: self.put_object_from_file(file, key) diff --git a/aiida/orm/nodes/data/upf.py b/aiida/orm/nodes/data/upf.py index 0c2a481b75..7617138d6b 100644 --- a/aiida/orm/nodes/data/upf.py +++ b/aiida/orm/nodes/data/upf.py @@ -185,6 +185,7 @@ def parse_upf(fname, check_filename=True): If check_filename is True, raise a ParsingError exception if the filename does not start with the element name. """ + # pylint: disable=too-many-branches import os from aiida.common.exceptions import ParsingError @@ -195,10 +196,13 @@ def parse_upf(fname, check_filename=True): try: upf_contents = fname.read() - fname = fname.name except AttributeError: - with open(fname, encoding='utf8') as handle: + with open(fname) as handle: upf_contents = handle.read() + else: + if check_filename: + raise ValueError('cannot use filelike objects when `check_filename=True`, use a filepath instead.') + fname = 'file.txt' match = REGEX_UPF_VERSION.search(upf_contents) if match: @@ -305,8 +309,13 @@ def store(self, *args, **kwargs): # pylint: disable=signature-differs if self.is_stored: return self + # Do not check the filename because it will fail since we are passing in a handle, which doesn't have a filename + # and so `parse_upf` will raise. The reason we have to pass in a handle is because this is the repository does + # not allow to get an absolute filepath. Anyway, the filename was already checked in `set_file` when the file + # was set for the first time. All the logic in this method is duplicated in `store` and `_validate` and badly + # needs to be refactored, but that is for another time. with self.open(mode='r') as handle: - parsed_data = parse_upf(handle) + parsed_data = parse_upf(handle, check_filename=False) # Open in binary mode which is required for generating the md5 checksum with self.open(mode='rb') as handle: @@ -397,8 +406,13 @@ def _validate(self): super()._validate() + # Do not check the filename because it will fail since we are passing in a handle, which doesn't have a filename + # and so `parse_upf` will raise. The reason we have to pass in a handle is because this is the repository does + # not allow to get an absolute filepath. Anyway, the filename was already checked in `set_file` when the file + # was set for the first time. All the logic in this method is duplicated in `store` and `_validate` and badly + # needs to be refactored, but that is for another time. with self.open(mode='r') as handle: - parsed_data = parse_upf(handle) + parsed_data = parse_upf(handle, check_filename=False) # Open in binary mode which is required for generating the md5 checksum with self.open(mode='rb') as handle: diff --git a/aiida/orm/nodes/node.py b/aiida/orm/nodes/node.py index 302a8ee0bc..67ffb749f9 100644 --- a/aiida/orm/nodes/node.py +++ b/aiida/orm/nodes/node.py @@ -9,13 +9,13 @@ ########################################################################### # pylint: disable=too-many-lines,too-many-arguments """Package for node ORM classes.""" +import copy import datetime import importlib from logging import Logger import typing import warnings -import traceback -from typing import Any, Dict, IO, Iterator, List, Optional, Sequence, Tuple, Type, Union +from typing import Any, Dict, Iterator, List, Optional, Sequence, Tuple, Type, Union from typing import TYPE_CHECKING from uuid import UUID @@ -27,7 +27,6 @@ from aiida.common.warnings import AiidaDeprecationWarning from aiida.manage.manager import get_manager from aiida.orm.utils.links import LinkManager, LinkTriple -from aiida.orm.utils._repository import Repository from aiida.orm.utils.node import AbstractNodeMeta from aiida.orm import autogroup @@ -37,6 +36,7 @@ from ..entities import Collection as EntityCollection from ..querybuilder import QueryBuilder from ..users import User +from .repository import NodeRepositoryMixin if TYPE_CHECKING: from aiida.repository import File @@ -48,62 +48,7 @@ _NO_DEFAULT = tuple() # type: ignore[var-annotated] -class WarnWhenNotEntered: - """Temporary wrapper to warn when `Node.open` is called outside of a context manager.""" - - def __init__(self, fileobj: Union[IO[str], IO[bytes]], name: str) -> None: - self._fileobj: Union[IO[str], IO[bytes]] = fileobj - self._name = name - self._was_entered = False - - def _warn_if_not_entered(self, method) -> None: - """Fire a warning if the object wrapper has not yet been entered.""" - if not self._was_entered: - msg = f'\nThe method `{method}` was called on the return value of `{self._name}.open()`' + \ - ' outside of a context manager.\n' + \ - 'Please wrap this call inside `with .open(): ...` to silence this warning. ' + \ - 'This will raise an exception, starting from `aiida-core==2.0.0`.\n' - - try: - caller = traceback.format_stack()[-3] - except Exception: # pylint: disable=broad-except - msg += 'Could not determine the line of code responsible for triggering this warning.' - else: - msg += f'The offending call comes from:\n{caller}' - - warnings.warn(msg, AiidaDeprecationWarning) # pylint: disable=no-member - - def __enter__(self) -> Union[IO[str], IO[bytes]]: - self._was_entered = True - return self._fileobj.__enter__() - - def __exit__(self, *args: Any) -> None: - self._fileobj.__exit__(*args) - - def __getattr__(self, key: str): - if key == '_fileobj': - return self._fileobj - return getattr(self._fileobj, key) - - def __del__(self) -> None: - self._warn_if_not_entered('del') - - def __iter__(self) -> Iterator[Union[str, bytes]]: - return self._fileobj.__iter__() - - def __next__(self) -> Union[str, bytes]: - return self._fileobj.__next__() - - def read(self, *args: Any, **kwargs: Any) -> Union[str, bytes]: - self._warn_if_not_entered('read') - return self._fileobj.read(*args, **kwargs) - - def close(self, *args: Any, **kwargs: Any) -> None: - self._warn_if_not_entered('close') - return self._fileobj.close(*args, **kwargs) # type: ignore[call-arg] - - -class Node(Entity, EntityAttributesMixin, EntityExtrasMixin, metaclass=AbstractNodeMeta): +class Node(Entity, NodeRepositoryMixin, EntityAttributesMixin, EntityExtrasMixin, metaclass=AbstractNodeMeta): """ Base class for all nodes in AiiDA. @@ -140,9 +85,7 @@ def delete(self, node_id: int) -> None: if node.get_outgoing().all(): raise exceptions.InvalidOperation(f'cannot delete Node<{node.pk}> because it has outgoing links') - repository = node._repository # pylint: disable=protected-access self._backend.nodes.delete(node_id) - repository.erase(force=True) # This will be set by the metaclass call _logger: Optional[Logger] = None @@ -157,16 +100,12 @@ def delete(self, node_id: int) -> None: # Flag that determines whether the class can be cached. _cachable = False - # Base path within the repository where to put objects by default - _repository_base_path = 'path' - # Flag that determines whether the class can be stored. _storable = False _unstorable_message = 'only Data, WorkflowNode, CalculationNode or their subclasses can be stored' # These are to be initialized in the `initialization` method _incoming_cache: Optional[List[LinkTriple]] = None - _repository: Optional[Repository] = None @classmethod def from_backend_entity(cls, backend_entity: 'BackendNode') -> 'Node': @@ -238,9 +177,6 @@ def initialize(self) -> None: # A cache of incoming links represented as a list of LinkTriples instances self._incoming_cache = list() - # Calls the initialisation from the RepositoryMixin - self._repository = Repository(uuid=self.uuid, is_stored=self.is_stored, base_path=self._repository_base_path) - def _validate(self) -> bool: """Check if the attributes and files retrieved from the database are valid. @@ -427,341 +363,6 @@ def mtime(self) -> datetime.datetime: """ return self.backend_entity.mtime - def list_objects(self, path: Optional[str] = None, key: Optional[str] = None) -> List['File']: - """Return a list of the objects contained in this repository, optionally in the given sub directory. - - .. deprecated:: 1.4.0 - Keyword `key` is deprecated and will be removed in `v2.0.0`. Use `path` instead. - - :param path: the relative path of the object within the repository. - :param key: fully qualified identifier for the object within the repository - :return: a list of `File` named tuples representing the objects present in directory with the given path - :raises FileNotFoundError: if the `path` does not exist in the repository of this node - """ - assert self._repository is not None, 'repository not initialised' - - if key is not None: - if path is not None: - raise ValueError('cannot specify both `path` and `key`.') - warnings.warn( - 'keyword `key` is deprecated and will be removed in `v2.0.0`. Use `path` instead.', - AiidaDeprecationWarning - ) # pylint: disable=no-member - path = key - - return self._repository.list_objects(path) - - def list_object_names(self, path: Optional[str] = None, key: Optional[str] = None) -> List[str]: - """Return a list of the object names contained in this repository, optionally in the given sub directory. - - .. deprecated:: 1.4.0 - Keyword `key` is deprecated and will be removed in `v2.0.0`. Use `path` instead. - - :param path: the relative path of the object within the repository. - :param key: fully qualified identifier for the object within the repository - - """ - assert self._repository is not None, 'repository not initialised' - - if key is not None: - if path is not None: - raise ValueError('cannot specify both `path` and `key`.') - warnings.warn( - 'keyword `key` is deprecated and will be removed in `v2.0.0`. Use `path` instead.', - AiidaDeprecationWarning - ) # pylint: disable=no-member - path = key - - return self._repository.list_object_names(path) - - def open(self, path: Optional[str] = None, mode: str = 'r', key: Optional[str] = None) -> WarnWhenNotEntered: - """Open a file handle to the object with the given path. - - .. deprecated:: 1.4.0 - Keyword `key` is deprecated and will be removed in `v2.0.0`. Use `path` instead. - - .. deprecated:: 1.4.0 - Starting from `v2.0.0` this will raise if not used in a context manager. - - :param path: the relative path of the object within the repository. - :param key: fully qualified identifier for the object within the repository - :param mode: the mode under which to open the handle - """ - assert self._repository is not None, 'repository not initialised' - - if key is not None: - if path is not None: - raise ValueError('cannot specify both `path` and `key`.') - warnings.warn( - 'keyword `key` is deprecated and will be removed in `v2.0.0`. Use `path` instead.', - AiidaDeprecationWarning - ) # pylint: disable=no-member - path = key - - if path is None: - raise TypeError("open() missing 1 required positional argument: 'path'") - - if mode not in ['r', 'rb']: - warnings.warn("from v2.0 only the modes 'r' and 'rb' will be accepted", AiidaDeprecationWarning) # pylint: disable=no-member - - return WarnWhenNotEntered(self._repository.open(path, mode), repr(self)) - - def get_object(self, path: Optional[str] = None, key: Optional[str] = None) -> 'File': - """Return the object with the given path. - - .. deprecated:: 1.4.0 - Keyword `key` is deprecated and will be removed in `v2.0.0`. Use `path` instead. - - :param path: the relative path of the object within the repository. - :param key: fully qualified identifier for the object within the repository - :return: a `File` named tuple - """ - assert self._repository is not None, 'repository not initialised' - - if key is not None: - if path is not None: - raise ValueError('cannot specify both `path` and `key`.') - warnings.warn( - 'keyword `key` is deprecated and will be removed in `v2.0.0`. Use `path` instead.', - AiidaDeprecationWarning - ) # pylint: disable=no-member - path = key - - if path is None: - raise TypeError("get_object() missing 1 required positional argument: 'path'") - - return self._repository.get_object(path) - - def get_object_content(self, - path: Optional[str] = None, - mode: str = 'r', - key: Optional[str] = None) -> Union[str, bytes]: - """Return the content of a object with the given path. - - .. deprecated:: 1.4.0 - Keyword `key` is deprecated and will be removed in `v2.0.0`. Use `path` instead. - - :param path: the relative path of the object within the repository. - :param key: fully qualified identifier for the object within the repository - """ - assert self._repository is not None, 'repository not initialised' - - if key is not None: - if path is not None: - raise ValueError('cannot specify both `path` and `key`.') - warnings.warn( - 'keyword `key` is deprecated and will be removed in `v2.0.0`. Use `path` instead.', - AiidaDeprecationWarning - ) # pylint: disable=no-member - path = key - - if path is None: - raise TypeError("get_object_content() missing 1 required positional argument: 'path'") - - if mode not in ['r', 'rb']: - warnings.warn("from v2.0 only the modes 'r' and 'rb' will be accepted", AiidaDeprecationWarning) # pylint: disable=no-member - - return self._repository.get_object_content(path, mode) - - def put_object_from_tree( - self, - filepath: str, - path: Optional[str] = None, - contents_only: bool = True, - force: bool = False, - key: Optional[str] = None - ) -> None: - """Store a new object under `path` with the contents of the directory located at `filepath` on this file system. - - .. warning:: If the repository belongs to a stored node, a `ModificationNotAllowed` exception will be raised. - This check can be avoided by using the `force` flag, but this should be used with extreme caution! - - .. deprecated:: 1.4.0 - First positional argument `path` has been deprecated and renamed to `filepath`. - - .. deprecated:: 1.4.0 - Keyword `key` is deprecated and will be removed in `v2.0.0`. Use `path` instead. - - .. deprecated:: 1.4.0 - Keyword `force` is deprecated and will be removed in `v2.0.0`. - - .. deprecated:: 1.4.0 - Keyword `contents_only` is deprecated and will be removed in `v2.0.0`. - - :param filepath: absolute path of directory whose contents to copy to the repository - :param path: the relative path of the object within the repository. - :param key: fully qualified identifier for the object within the repository - :param contents_only: boolean, if True, omit the top level directory of the path and only copy its contents. - :param force: boolean, if True, will skip the mutability check - :raises aiida.common.ModificationNotAllowed: if repository is immutable and `force=False` - """ - assert self._repository is not None, 'repository not initialised' - - if force: - warnings.warn('the `force` keyword is deprecated and will be removed in `v2.0.0`.', AiidaDeprecationWarning) # pylint: disable=no-member - - if contents_only is False: - warnings.warn( - 'the `contents_only` keyword is deprecated and will be removed in `v2.0.0`.', AiidaDeprecationWarning - ) # pylint: disable=no-member - - if key is not None: - if path is not None: - raise ValueError('cannot specify both `path` and `key`.') - warnings.warn( - 'keyword `key` is deprecated and will be removed in `v2.0.0`. Use `path` instead.', - AiidaDeprecationWarning - ) # pylint: disable=no-member - path = key - - self._repository.put_object_from_tree(filepath, path, contents_only, force) - - def put_object_from_file( - self, - filepath: str, - path: Optional[str] = None, - mode: Optional[str] = None, - encoding: Optional[str] = None, - force: bool = False, - key: Optional[str] = None - ) -> None: - """Store a new object under `path` with contents of the file located at `filepath` on this file system. - - .. warning:: If the repository belongs to a stored node, a `ModificationNotAllowed` exception will be raised. - This check can be avoided by using the `force` flag, but this should be used with extreme caution! - - .. deprecated:: 1.4.0 - First positional argument `path` has been deprecated and renamed to `filepath`. - - .. deprecated:: 1.4.0 - Keyword `key` is deprecated and will be removed in `v2.0.0`. Use `path` instead. - - .. deprecated:: 1.4.0 - Keyword `force` is deprecated and will be removed in `v2.0.0`. - - :param filepath: absolute path of file whose contents to copy to the repository - :param path: the relative path where to store the object in the repository. - :param key: fully qualified identifier for the object within the repository - :param mode: the file mode with which the object will be written - Deprecated: will be removed in `v2.0.0` - :param encoding: the file encoding with which the object will be written - Deprecated: will be removed in `v2.0.0` - :param force: boolean, if True, will skip the mutability check - :raises aiida.common.ModificationNotAllowed: if repository is immutable and `force=False` - """ - assert self._repository is not None, 'repository not initialised' - - # Note that the defaults of `mode` and `encoding` had to be change to `None` from `w` and `utf-8` resptively, in - # order to detect when they were being passed such that the deprecation warning can be emitted. The defaults did - # not make sense and so ignoring them is justified, since the side-effect of this function, a file being copied, - # will continue working the same. - if force: - warnings.warn('the `force` keyword is deprecated and will be removed in `v2.0.0`.', AiidaDeprecationWarning) # pylint: disable=no-member - - if mode is not None: - warnings.warn('the `mode` argument is deprecated and will be removed in `v2.0.0`.', AiidaDeprecationWarning) # pylint: disable=no-member - - if encoding is not None: - warnings.warn( # pylint: disable=no-member - 'the `encoding` argument is deprecated and will be removed in `v2.0.0`', AiidaDeprecationWarning - ) - - if key is not None: - if path is not None: - raise ValueError('cannot specify both `path` and `key`.') - warnings.warn( - 'keyword `key` is deprecated and will be removed in `v2.0.0`. Use `path` instead.', - AiidaDeprecationWarning - ) # pylint: disable=no-member - path = key - - if path is None: - raise TypeError("put_object_from_file() missing 1 required positional argument: 'path'") - - self._repository.put_object_from_file(filepath, path, mode, encoding, force) - - def put_object_from_filelike( - self, - handle: IO[Any], - path: Optional[str] = None, - mode: str = 'w', - encoding: str = 'utf8', - force: bool = False, - key: Optional[str] = None - ) -> None: - """Store a new object under `path` with contents of filelike object `handle`. - - .. warning:: If the repository belongs to a stored node, a `ModificationNotAllowed` exception will be raised. - This check can be avoided by using the `force` flag, but this should be used with extreme caution! - - .. deprecated:: 1.4.0 - Keyword `key` is deprecated and will be removed in `v2.0.0`. Use `path` instead. - - .. deprecated:: 1.4.0 - Keyword `force` is deprecated and will be removed in `v2.0.0`. - - :param handle: filelike object with the content to be stored - :param path: the relative path where to store the object in the repository. - :param key: fully qualified identifier for the object within the repository - :param mode: the file mode with which the object will be written - :param encoding: the file encoding with which the object will be written - :param force: boolean, if True, will skip the mutability check - :raises aiida.common.ModificationNotAllowed: if repository is immutable and `force=False` - """ - assert self._repository is not None, 'repository not initialised' - - if force: - warnings.warn('the `force` keyword is deprecated and will be removed in `v2.0.0`.', AiidaDeprecationWarning) # pylint: disable=no-member - - if key is not None: - if path is not None: - raise ValueError('cannot specify both `path` and `key`.') - warnings.warn( - 'keyword `key` is deprecated and will be removed in `v2.0.0`. Use `path` instead.', - AiidaDeprecationWarning - ) # pylint: disable=no-member - path = key - - if path is None: - raise TypeError("put_object_from_filelike() missing 1 required positional argument: 'path'") - - self._repository.put_object_from_filelike(handle, path, mode, encoding, force) - - def delete_object(self, path: Optional[str] = None, force: bool = False, key: Optional[str] = None) -> None: - """Delete the object from the repository. - - .. warning:: If the repository belongs to a stored node, a `ModificationNotAllowed` exception will be raised. - This check can be avoided by using the `force` flag, but this should be used with extreme caution! - - .. deprecated:: 1.4.0 - Keyword `key` is deprecated and will be removed in `v2.0.0`. Use `path` instead. - - .. deprecated:: 1.4.0 - Keyword `force` is deprecated and will be removed in `v2.0.0`. - - :param key: fully qualified identifier for the object within the repository - :param force: boolean, if True, will skip the mutability check - :raises aiida.common.ModificationNotAllowed: if repository is immutable and `force=False` - """ - assert self._repository is not None, 'repository not initialised' - - if force: - warnings.warn('the `force` keyword is deprecated and will be removed in `v2.0.0`.', AiidaDeprecationWarning) # pylint: disable=no-member - - if key is not None: - if path is not None: - raise ValueError('cannot specify both `path` and `key`.') - warnings.warn( - 'keyword `key` is deprecated and will be removed in `v2.0.0`. Use `path` instead.', - AiidaDeprecationWarning - ) # pylint: disable=no-member - path = key - - if path is None: - raise TypeError("delete_object() missing 1 required positional argument: 'path'") - - self._repository.delete_object(path, force) - def add_comment(self, content: str, user: Optional[User] = None) -> Comment: """Add a new comment. @@ -1104,20 +705,23 @@ def _store(self, with_transaction: bool = True, clean: bool = True) -> 'Node': :param with_transaction: if False, do not use a transaction because the caller will already have opened one. :param clean: boolean, if True, will clean the attributes and extras before attempting to store """ - assert self._repository is not None, 'repository not initialised' + from aiida.repository import Repository + from aiida.repository.backend import DiskObjectStoreRepositoryBackend, SandboxRepositoryBackend - # First store the repository folder such that if this fails, there won't be an incomplete node in the database. - # On the flipside, in the case that storing the node does fail, the repository will now have an orphaned node - # directory which will have to be cleaned manually sometime. - self._repository.store() + # Only if the backend repository is a sandbox do we have to clone its contents to the permanent repository. + if isinstance(self._repository.backend, SandboxRepositoryBackend): + profile = get_manager().get_profile() + assert profile is not None, 'profile not loaded' + backend = DiskObjectStoreRepositoryBackend(container=profile.get_repository_container()) + repository = Repository(backend=backend) + repository.clone(self._repository) + # Swap the sandbox repository for the new permanent repository instance which should delete the sandbox + self._repository_instance = repository - try: - links = self._incoming_cache - self._backend_entity.store(links, with_transaction=with_transaction, clean=clean) - except Exception: - # I put back the files in the sandbox folder since the transaction did not succeed - self._repository.restore() - raise + self.repository_metadata = self._repository.serialize() + + links = self._incoming_cache + self._backend_entity.store(links, with_transaction=with_transaction, clean=clean) self._incoming_cache = list() self._backend_entity.set_extra(_HASH_EXTRA_KEY, self.get_hash()) @@ -1138,11 +742,18 @@ def verify_are_parents_stored(self) -> None: ) def _store_from_cache(self, cache_node: 'Node', with_transaction: bool) -> None: - """Store this node from an existing cache node.""" - assert self._repository is not None, 'repository not initialised' - assert cache_node._repository is not None, 'cache repository not initialised' # pylint: disable=protected-access + """Store this node from an existing cache node. + + .. note:: + + With the current implementation of the backend repository, which automatically deduplicates the content that + it contains, we do not have to copy the contents of the source node. Since the content should be exactly + equal, the repository will already contain it and there is nothing to copy. We simply replace the current + ``repository`` instance with a clone of that of the source node, which does not actually copy any files. + """ from aiida.orm.utils.mixins import Sealable + from aiida.repository import Repository assert self.node_type == cache_node.node_type # Make sure the node doesn't have any RETURN links @@ -1152,17 +763,13 @@ def _store_from_cache(self, cache_node: 'Node', with_transaction: bool) -> None: self.label = cache_node.label self.description = cache_node.description + # Make sure to reinitialize the repository instance of the clone to that of the source node. + self._repository: Repository = copy.copy(cache_node._repository) # pylint: disable=protected-access + for key, value in cache_node.attributes.items(): if key != Sealable.SEALED_KEY: self.set_attribute(key, value) - # The erase() removes the current content of the sandbox folder. - # If this was not done, the content of the sandbox folder could - # become mangled when copying over the content of the cache - # source repository folder. - self._repository.erase() - self.put_object_from_tree(cache_node._repository._get_base_folder().abspath) # pylint: disable=protected-access - self._store(with_transaction=with_transaction, clean=False) self._add_outputs_from_cache(cache_node) self.set_extra('_aiida_cached_from', cache_node.uuid) @@ -1216,7 +823,7 @@ def _get_objects_to_hash(self) -> List[Any]: for key, val in self.attributes_items() if key not in self._hash_ignored_attributes and key not in self._updatable_attributes # pylint: disable=unsupported-membership-test }, - self._repository._get_base_folder(), # pylint: disable=protected-access + self._repository.hash(), self.computer.uuid if self.computer is not None else None ] return objects diff --git a/aiida/orm/nodes/process/calculation/calcjob.py b/aiida/orm/nodes/process/calculation/calcjob.py index ccfa5d921a..b08e9b5685 100644 --- a/aiida/orm/nodes/process/calculation/calcjob.py +++ b/aiida/orm/nodes/process/calculation/calcjob.py @@ -17,7 +17,6 @@ from aiida.common.datastructures import CalcJobState from aiida.common.lang import classproperty from aiida.common.links import LinkType -from aiida.common.folders import Folder from aiida.common.warnings import AiidaDeprecationWarning from .calculation import CalculationNode @@ -156,24 +155,6 @@ def get_builder_restart(self) -> 'ProcessBuilder': return builder - @property - def _raw_input_folder(self) -> Folder: - """ - Get the input folder object. - - :return: the input folder object. - :raise: NotExistent: if the raw folder hasn't been created yet - """ - from aiida.common.exceptions import NotExistent - - assert self._repository is not None, 'repository not initialised' - - return_folder = self._repository._get_base_folder() # pylint: disable=protected-access - if return_folder.exists(): - return return_folder - - raise NotExistent('the `_raw_input_folder` has not yet been created') - def get_option(self, name: str) -> Optional[Any]: """ Retun the value of an option that was set for this CalcJobNode diff --git a/aiida/orm/nodes/process/process.py b/aiida/orm/nodes/process/process.py index 63409b4857..c98e36f5bb 100644 --- a/aiida/orm/nodes/process/process.py +++ b/aiida/orm/nodes/process/process.py @@ -482,13 +482,14 @@ def is_valid_cache(self) -> bool: """ if not (super().is_valid_cache and self.is_finished): return False + try: process_class = self.process_class except ValueError as exc: self.logger.warning(f"Not considering {self} for caching, '{exc!r}' when accessing its process class.") return False - # For process functions, the `process_class` does not have an - # is_valid_cache attribute + + # For process functions, the `process_class` does not have an is_valid_cache attribute try: is_valid_cache_func = process_class.is_valid_cache except AttributeError: diff --git a/aiida/orm/nodes/repository.py b/aiida/orm/nodes/repository.py new file mode 100644 index 0000000000..c63fbf8741 --- /dev/null +++ b/aiida/orm/nodes/repository.py @@ -0,0 +1,230 @@ +# -*- coding: utf-8 -*- +"""Interface to the file repository of a node instance.""" +import contextlib +import io +import tempfile +import typing + +from wrapt import decorator + +from aiida.common import exceptions +from aiida.repository import Repository, File +from aiida.repository.backend import DiskObjectStoreRepositoryBackend, SandboxRepositoryBackend + +__all__ = ('NodeRepositoryMixin',) + + +class NodeRepositoryMixin: + """Interface to the file repository of a node instance. + + This is the compatibility layer between the `Node` class and the `Repository` class. The repository in principle has + no concept of immutability, so it is implemented here. Any mutating operations will raise a `ModificationNotAllowed` + exception if the node is stored. Otherwise the operation is just forwarded to the repository instance. + + The repository instance keeps an internal mapping of the file hierarchy that it maintains, starting from an empty + hierarchy if the instance was constructed normally, or from a specific hierarchy if reconstructred through the + ``Repository.from_serialized`` classmethod. This is only the case for stored nodes, because unstored nodes do not + have any files yet when they are constructed. Once the node get's stored, the repository is asked to serialize its + metadata contents which is then stored in the ``repository_metadata`` attribute of the node in the database. This + layer explicitly does not update the metadata of the node on a mutation action. The reason is that for stored nodes + these actions are anyway forbidden and for unstored nodes, the final metadata will be stored in one go, once the + node is stored, so there is no need to keep updating the node metadata intermediately. Note that this does mean that + ``repository_metadata`` does not give accurate information as long as the node is not yet stored. + """ + + _repository_instance = None + + @decorator + def update_metadata_after_return(wrapped, self, args, kwargs): # pylint: disable=no-self-argument + """Refresh the repository metadata of the node if it is stored and the decorated method returns successfully. + + This decorator will yield to the wrapped method and only if it returns without raising an exception, will the + repository metadata be updated with the current metadata contents of the repository in serialized form. This + should be applied to any method that mutate the state of the repository. + """ + try: + result = wrapped(*args, **kwargs) # pylint: disable=not-callable + except Exception: # pylint: disable=try-except-raise + raise + else: + if self.is_stored: + self.repository_metadata = self._repository.serialize() # pylint: disable=protected-access + + return result + + @property + def _repository(self) -> Repository: + """Return the repository instance, lazily constructing it if necessary. + + .. note:: this property is protected because a node's repository should not be accessed outside of its scope. + + :return: the file repository instance. + """ + if self._repository_instance is None: + if self.is_stored: + from aiida.manage.manager import get_manager + container = get_manager().get_profile().get_repository_container() + backend = DiskObjectStoreRepositoryBackend(container=container) + serialized = self.repository_metadata + self._repository_instance = Repository.from_serialized(backend=backend, serialized=serialized) + else: + self._repository_instance = Repository(backend=SandboxRepositoryBackend()) + + return self._repository_instance + + @_repository.setter + def _repository(self, repository: Repository) -> None: + """Set a new repository instance, deleting the current reference if it has been initialized. + + :param repository: the new repository instance to set. + """ + if self._repository_instance is not None: + del self._repository_instance + + self._repository_instance = repository + + def repository_serialize(self) -> typing.Dict: + """Serialize the metadata of the repository content into a JSON-serializable format. + + :return: dictionary with the content metadata. + """ + return self._repository.serialize() + + def check_mutability(self): + """Check if the node is mutable. + + :raises `~aiida.common.exceptions.ModificationNotAllowed`: when the node is stored and therefore immutable. + """ + if self.is_stored: + raise exceptions.ModificationNotAllowed('the node is stored and therefore the repository is immutable.') + + def list_objects(self, path: str = None) -> typing.List[File]: + """Return a list of the objects contained in this repository sorted by name, optionally in given sub directory. + + :param path: the relative path where to store the object in the repository. + :return: a list of `File` named tuples representing the objects present in directory with the given key. + :raises TypeError: if the path is not a string and relative path. + :raises FileNotFoundError: if no object exists for the given path. + :raises NotADirectoryError: if the object at the given path is not a directory. + """ + return self._repository.list_objects(path) + + def list_object_names(self, path: str = None) -> typing.List[str]: + """Return a sorted list of the object names contained in this repository, optionally in the given sub directory. + + :param path: the relative path where to store the object in the repository. + :return: a list of `File` named tuples representing the objects present in directory with the given key. + :raises TypeError: if the path is not a string and relative path. + :raises FileNotFoundError: if no object exists for the given path. + :raises NotADirectoryError: if the object at the given path is not a directory. + """ + return self._repository.list_object_names(path) + + @contextlib.contextmanager + def open(self, path: str, mode='r') -> io.BufferedReader: + """Open a file handle to an object stored under the given key. + + .. note:: this should only be used to open a handle to read an existing file. To write a new file use the method + ``put_object_from_filelike`` instead. + + :param path: the relative path of the object within the repository. + :return: yield a byte stream object. + :raises TypeError: if the path is not a string and relative path. + :raises FileNotFoundError: if the file does not exist. + :raises IsADirectoryError: if the object is a directory and not a file. + :raises OSError: if the file could not be opened. + """ + if mode not in ['r', 'rb']: + raise ValueError(f'the mode {mode} is not supported.') + + with self._repository.open(path) as handle: + if 'b' not in mode: + yield io.StringIO(handle.read().decode('utf-8')) + else: + yield handle + + def get_object_content(self, path: str, mode='r') -> typing.Union[str, bytes]: + """Return the content of a object identified by key. + + :param key: fully qualified identifier for the object within the repository. + :raises TypeError: if the path is not a string and relative path. + :raises FileNotFoundError: if the file does not exist. + :raises IsADirectoryError: if the object is a directory and not a file. + :raises OSError: if the file could not be opened. + """ + if mode not in ['r', 'rb']: + raise ValueError(f'the mode {mode} is not supported.') + + if 'b' not in mode: + return self._repository.get_object_content(path).decode('utf-8') + + return self._repository.get_object_content(path) + + @update_metadata_after_return + def put_object_from_filelike(self, handle: io.BufferedReader, path: str): + """Store the byte contents of a file in the repository. + + :param handle: filelike object with the byte content to be stored. + :param path: the relative path where to store the object in the repository. + :raises TypeError: if the path is not a string and relative path. + :raises `~aiida.common.exceptions.ModificationNotAllowed`: when the node is stored and therefore immutable. + """ + self.check_mutability() + + if isinstance(handle, io.StringIO): + handle = io.BytesIO(handle.read().encode('utf-8')) + + if isinstance(handle, tempfile._TemporaryFileWrapper): # pylint: disable=protected-access + if 'b' in handle.file.mode: + handle = io.BytesIO(handle.read()) + else: + handle = io.BytesIO(handle.read().encode('utf-8')) + + self._repository.put_object_from_filelike(handle, path) + + @update_metadata_after_return + def put_object_from_file(self, filepath: str, path: str): + """Store a new object under `path` with contents of the file located at `filepath` on the local file system. + + :param filepath: absolute path of file whose contents to copy to the repository + :param path: the relative path where to store the object in the repository. + :raises TypeError: if the path is not a string and relative path, or the handle is not a byte stream. + :raises `~aiida.common.exceptions.ModificationNotAllowed`: when the node is stored and therefore immutable. + """ + self.check_mutability() + self._repository.put_object_from_file(filepath, path) + + @update_metadata_after_return + def put_object_from_tree(self, filepath: str, path: str = None): + """Store the entire contents of `filepath` on the local file system in the repository with under given `path`. + + :param filepath: absolute path of the directory whose contents to copy to the repository. + :param path: the relative path where to store the objects in the repository. + :raises TypeError: if the path is not a string and relative path. + :raises `~aiida.common.exceptions.ModificationNotAllowed`: when the node is stored and therefore immutable. + """ + self.check_mutability() + self._repository.put_object_from_tree(filepath, path) + + @update_metadata_after_return + def delete_object(self, path: str): + """Delete the object from the repository. + + :param key: fully qualified identifier for the object within the repository. + :raises TypeError: if the path is not a string and relative path. + :raises FileNotFoundError: if the file does not exist. + :raises IsADirectoryError: if the object is a directory and not a file. + :raises OSError: if the file could not be deleted. + :raises `~aiida.common.exceptions.ModificationNotAllowed`: when the node is stored and therefore immutable. + """ + self.check_mutability() + self._repository.delete_object(path) + + @update_metadata_after_return + def erase(self): + """Delete all objects from the repository. + + :raises `~aiida.common.exceptions.ModificationNotAllowed`: when the node is stored and therefore immutable. + """ + self.check_mutability() + self._repository.erase() diff --git a/aiida/orm/utils/_repository.py b/aiida/orm/utils/_repository.py deleted file mode 100644 index 7b4c400acf..0000000000 --- a/aiida/orm/utils/_repository.py +++ /dev/null @@ -1,304 +0,0 @@ -# -*- 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 # -########################################################################### -"""Class that represents the repository of a `Node` instance. - -.. deprecated:: 1.4.0 - This module has been deprecated and will be removed in `v2.0.0`. - -""" -import os -import warnings - -from aiida.common import exceptions -from aiida.common.folders import RepositoryFolder, SandboxFolder -from aiida.common.warnings import AiidaDeprecationWarning -from aiida.repository import File, FileType - - -class Repository: - """Class that represents the repository of a `Node` instance. - - .. deprecated:: 1.4.0 - This class has been deprecated and will be removed in `v2.0.0`. - """ - - # Name to be used for the Repository section - _section_name = 'node' - - def __init__(self, uuid, is_stored, base_path=None): - self._is_stored = is_stored - self._base_path = base_path - self._temp_folder = None - self._repo_folder = RepositoryFolder(section=self._section_name, uuid=uuid) - - def __del__(self): - """Clean the sandboxfolder if it was instantiated.""" - if getattr(self, '_temp_folder', None) is not None: - self._temp_folder.erase() - - def validate_mutability(self): - """Raise if the repository is immutable. - - :raises aiida.common.ModificationNotAllowed: if repository is marked as immutable because the corresponding node - is stored - """ - if self._is_stored: - raise exceptions.ModificationNotAllowed('cannot modify the repository after the node has been stored') - - @staticmethod - def validate_object_key(key): - """Validate the key of an object. - - :param key: an object key in the repository - :raises ValueError: if the key is not a valid object key - """ - if key and os.path.isabs(key): - raise ValueError('the key must be a relative path') - - def list_objects(self, key=None): - """Return a list of the objects contained in this repository, optionally in the given sub directory. - - :param key: fully qualified identifier for the object within the repository - :return: a list of `File` named tuples representing the objects present in directory with the given key - """ - folder = self._get_base_folder() - - if key: - folder = folder.get_subfolder(key) - - objects = [] - - for filename in folder.get_content_list(): - if os.path.isdir(os.path.join(folder.abspath, filename)): - objects.append(File(filename, FileType.DIRECTORY)) - else: - objects.append(File(filename, FileType.FILE)) - - return sorted(objects, key=lambda x: x.name) - - def list_object_names(self, key=None): - """Return a list of the object names contained in this repository, optionally in the given sub directory. - - :param key: fully qualified identifier for the object within the repository - :return: a list of `File` named tuples representing the objects present in directory with the given key - """ - return [entry.name for entry in self.list_objects(key)] - - def open(self, key, mode='r'): - """Open a file handle to an object stored under the given key. - - :param key: fully qualified identifier for the object within the repository - :param mode: the mode under which to open the handle - """ - return open(self._get_base_folder().get_abs_path(key), mode=mode) - - def get_object(self, key): - """Return the object identified by key. - - :param key: fully qualified identifier for the object within the repository - :return: a `File` named tuple representing the object located at key - :raises IOError: if no object with the given key exists - """ - self.validate_object_key(key) - - try: - directory, filename = key.rsplit(os.sep, 1) - except ValueError: - directory, filename = None, key - - folder = self._get_base_folder() - - if directory: - folder = folder.get_subfolder(directory) - - filepath = os.path.join(folder.abspath, filename) - - if os.path.isdir(filepath): - return File(filename, FileType.DIRECTORY) - - if os.path.isfile(filepath): - return File(filename, FileType.FILE) - - raise IOError(f'object {key} does not exist') - - def get_object_content(self, key, mode='r'): - """Return the content of a object identified by key. - - :param key: fully qualified identifier for the object within the repository - :param mode: the mode under which to open the handle - """ - with self.open(key, mode=mode) as handle: - return handle.read() - - def put_object_from_tree(self, path, key=None, contents_only=True, force=False): - """Store a new object under `key` with the contents of the directory located at `path` on this file system. - - .. warning:: If the repository belongs to a stored node, a `ModificationNotAllowed` exception will be raised. - This check can be avoided by using the `force` flag, but this should be used with extreme caution! - - :param path: absolute path of directory whose contents to copy to the repository - :param key: fully qualified identifier for the object within the repository - :param contents_only: boolean, if True, omit the top level directory of the path and only copy its contents. - :param force: boolean, if True, will skip the mutability check - :raises aiida.common.ModificationNotAllowed: if repository is immutable and `force=False` - """ - if not force: - self.validate_mutability() - - self.validate_object_key(key) - - if not os.path.isabs(path): - raise ValueError('the `path` must be an absolute path') - - folder = self._get_base_folder() - - if key: - folder = folder.get_subfolder(key, create=True) - - if contents_only: - for entry in os.listdir(path): - folder.insert_path(os.path.join(path, entry)) - else: - folder.insert_path(path) - - def put_object_from_file(self, path, key, mode=None, encoding=None, force=False): - """Store a new object under `key` with contents of the file located at `path` on this file system. - - .. warning:: If the repository belongs to a stored node, a `ModificationNotAllowed` exception will be raised. - This check can be avoided by using the `force` flag, but this should be used with extreme caution! - - :param path: absolute path of file whose contents to copy to the repository - :param key: fully qualified identifier for the object within the repository - :param mode: the file mode with which the object will be written - Deprecated: will be removed in `v2.0.0` - :param encoding: the file encoding with which the object will be written - Deprecated: will be removed in `v2.0.0` - :param force: boolean, if True, will skip the mutability check - :raises aiida.common.ModificationNotAllowed: if repository is immutable and `force=False` - """ - # pylint: disable=unused-argument,no-member - # Note that the defaults of `mode` and `encoding` had to be change to `None` from `w` and `utf-8` resptively, in - # order to detect when they were being passed such that the deprecation warning can be emitted. The defaults did - # not make sense and so ignoring them is justified, since the side-effect of this function, a file being copied, - # will continue working the same. - if mode is not None: - warnings.warn('the `mode` argument is deprecated and will be removed in `v2.0.0`', AiidaDeprecationWarning) - - if encoding is not None: - warnings.warn( - 'the `encoding` argument is deprecated and will be removed in `v2.0.0`', AiidaDeprecationWarning - ) - - if not force: - self.validate_mutability() - - self.validate_object_key(key) - - with open(path, mode='rb') as handle: - self.put_object_from_filelike(handle, key, mode='wb', encoding=None) - - def put_object_from_filelike(self, handle, key, mode='w', encoding='utf8', force=False): - """Store a new object under `key` with contents of filelike object `handle`. - - .. warning:: If the repository belongs to a stored node, a `ModificationNotAllowed` exception will be raised. - This check can be avoided by using the `force` flag, but this should be used with extreme caution! - - :param handle: filelike object with the content to be stored - :param key: fully qualified identifier for the object within the repository - :param mode: the file mode with which the object will be written - :param encoding: the file encoding with which the object will be written - :param force: boolean, if True, will skip the mutability check - :raises aiida.common.ModificationNotAllowed: if repository is immutable and `force=False` - """ - if not force: - self.validate_mutability() - - self.validate_object_key(key) - - folder = self._get_base_folder() - - while os.sep in key: - basepath, key = key.split(os.sep, 1) - folder = folder.get_subfolder(basepath, create=True) - - folder.create_file_from_filelike(handle, key, mode=mode, encoding=encoding) - - def delete_object(self, key, force=False): - """Delete the object from the repository. - - .. warning:: If the repository belongs to a stored node, a `ModificationNotAllowed` exception will be raised. - This check can be avoided by using the `force` flag, but this should be used with extreme caution! - - :param key: fully qualified identifier for the object within the repository - :param force: boolean, if True, will skip the mutability check - :raises aiida.common.ModificationNotAllowed: if repository is immutable and `force=False` - """ - if not force: - self.validate_mutability() - - self.validate_object_key(key) - - self._get_base_folder().remove_path(key) - - def erase(self, force=False): - """Delete the repository folder. - - .. warning:: If the repository belongs to a stored node, a `ModificationNotAllowed` exception will be raised. - This check can be avoided by using the `force` flag, but this should be used with extreme caution! - - :param force: boolean, if True, will skip the mutability check - :raises aiida.common.ModificationNotAllowed: if repository is immutable and `force=False` - """ - if not force: - self.validate_mutability() - - self._get_base_folder().erase() - - def store(self): - """Store the contents of the sandbox folder into the repository folder.""" - if self._is_stored: - raise exceptions.ModificationNotAllowed('repository is already stored') - - self._repo_folder.replace_with_folder(self._get_temp_folder().abspath, move=True, overwrite=True) - self._is_stored = True - - def restore(self): - """Move the contents from the repository folder back into the sandbox folder.""" - if not self._is_stored: - raise exceptions.ModificationNotAllowed('repository is not yet stored') - - self._temp_folder.replace_with_folder(self._repo_folder.abspath, move=True, overwrite=True) - self._is_stored = False - - def _get_base_folder(self): - """Return the base sub folder in the repository. - - :return: a Folder object. - """ - if self._is_stored: - folder = self._repo_folder - else: - folder = self._get_temp_folder() - - if self._base_path is not None: - folder = folder.get_subfolder(self._base_path, reset_limit=True) - folder.create() - - return folder - - def _get_temp_folder(self): - """Return the temporary sandbox folder. - - :return: a SandboxFolder object mapping the node in the repository. - """ - if self._temp_folder is None: - self._temp_folder = SandboxFolder() - - return self._temp_folder diff --git a/aiida/orm/utils/mixins.py b/aiida/orm/utils/mixins.py index 3c12048fb6..1e77bae52d 100644 --- a/aiida/orm/utils/mixins.py +++ b/aiida/orm/utils/mixins.py @@ -56,7 +56,7 @@ def store_source_info(self, func): try: source_file_path = inspect.getsourcefile(func) with open(source_file_path, 'rb') as handle: - self.put_object_from_filelike(handle, self.FUNCTION_SOURCE_FILE_PATH, mode='wb', encoding=None) + self.put_object_from_filelike(handle, self.FUNCTION_SOURCE_FILE_PATH) except (IOError, OSError): pass diff --git a/aiida/orm/utils/repository.py b/aiida/orm/utils/repository.py deleted file mode 100644 index 0b15b17af5..0000000000 --- a/aiida/orm/utils/repository.py +++ /dev/null @@ -1,31 +0,0 @@ -# -*- 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 # -########################################################################### -# pylint: disable=unused-import -"""Module shadowing original in order to print deprecation warning only when external code uses it.""" -import warnings - -from aiida.common import exceptions -from aiida.common.folders import RepositoryFolder, SandboxFolder -from aiida.common.warnings import AiidaDeprecationWarning -from aiida.repository import File, FileType -from ._repository import Repository as _Repository - -warnings.warn( - 'this module is deprecated and will be removed in `v2.0.0`. ' - '`File` and `FileType` should be imported from `aiida.repository`.', AiidaDeprecationWarning -) - - -class Repository(_Repository): - """Class shadowing original class in order to print deprecation warning when external code uses it.""" - - def __init__(self, *args, **kwargs): - warnings.warn('This class has been deprecated and will be removed in `v2.0.0`.', AiidaDeprecationWarning) # pylint: disable=no-member""" - super().__init__(*args, **kwargs) diff --git a/aiida/restapi/translator/nodes/node.py b/aiida/restapi/translator/nodes/node.py index 8b8e4d3d2c..a2beb59869 100644 --- a/aiida/restapi/translator/nodes/node.py +++ b/aiida/restapi/translator/nodes/node.py @@ -466,7 +466,7 @@ def get_repo_list(node, filename=''): """ try: flist = node.list_objects(filename) - except IOError: + except NotADirectoryError: raise RestInputValidationError(f'{filename} is not a directory in this repository') response = [] for fobj in flist: @@ -487,7 +487,7 @@ def get_repo_contents(node, filename=''): try: data = node.get_object_content(filename, mode='rb') return data - except IOError: + except FileNotFoundError: raise RestInputValidationError('No such file is present') raise RestValidationError('filename is not provided') diff --git a/aiida/tools/dbimporters/baseclasses.py b/aiida/tools/dbimporters/baseclasses.py index 64db13dac1..f978755a7e 100644 --- a/aiida/tools/dbimporters/baseclasses.py +++ b/aiida/tools/dbimporters/baseclasses.py @@ -333,8 +333,8 @@ def get_upf_node(self, store=False): # Prefixing with an ID in order to start file name with the name # of the described element. - with tempfile.NamedTemporaryFile(mode='w+', prefix=self.source['id']) as handle: - handle.write(self.contents) + with tempfile.NamedTemporaryFile(mode='w+b', prefix=self.source['id']) as handle: + handle.write(self.contents.encode('utf-8')) handle.flush() upfnode = UpfData(file=handle.name, source=self.source) diff --git a/aiida/tools/graph/deletions.py b/aiida/tools/graph/deletions.py index b151f7d3c8..74f701bd43 100644 --- a/aiida/tools/graph/deletions.py +++ b/aiida/tools/graph/deletions.py @@ -123,20 +123,8 @@ def _missing_callback(_pks: Iterable[int]): if not pks_set_to_delete: return (pks_set_to_delete, True) - # Recover the list of folders to delete before actually deleting the nodes. I will delete the folders only later, - # so that if there is a problem during the deletion of the nodes in the DB, I don't delete the folders - repositories = [load_node(pk)._repository for pk in pks_set_to_delete] # pylint: disable=protected-access - DELETE_LOGGER.info('Starting node deletion...') delete_nodes_and_connections(pks_set_to_delete) - - DELETE_LOGGER.info('Nodes deleted from database, deleting files from the repository now...') - - # If we are here, we managed to delete the entries from the DB. - # I can now delete the folders - for repository in repositories: - repository.erase(force=True) - DELETE_LOGGER.info('Deletion of nodes completed.') return (pks_set_to_delete, True) diff --git a/aiida/tools/importexport/dbexport/__init__.py b/aiida/tools/importexport/dbexport/__init__.py index 6ceb6480a0..ab6cbf695e 100644 --- a/aiida/tools/importexport/dbexport/__init__.py +++ b/aiida/tools/importexport/dbexport/__init__.py @@ -41,11 +41,8 @@ from aiida.common.log import LOG_LEVEL_REPORT from aiida.common.progress_reporter import get_progress_reporter from aiida.common.warnings import AiidaDeprecationWarning -from aiida.orm.utils._repository import Repository from aiida.tools.importexport.common import ( exceptions, -) -from aiida.tools.importexport.common.config import ( COMMENT_ENTITY_NAME, COMPUTER_ENTITY_NAME, EXPORT_VERSION, @@ -645,7 +642,7 @@ def _write_node_repositories( progress.set_description_str(f'Exporting node repositories: {pk}', refresh=False) progress.update() - src = RepositoryFolder(section=Repository._section_name, uuid=uuid) # pylint: disable=protected-access + src = RepositoryFolder(section=Repository._section_name, uuid=uuid) # pylint: disable=protected-access,undefined-variable if not src.exists(): raise exceptions.ArchiveExportError( f'Unable to find the repository folder for Node with UUID={uuid} ' diff --git a/aiida/tools/importexport/dbimport/backends/common.py b/aiida/tools/importexport/dbimport/backends/common.py index d5a78dbd20..93442d0f47 100644 --- a/aiida/tools/importexport/dbimport/backends/common.py +++ b/aiida/tools/importexport/dbimport/backends/common.py @@ -15,7 +15,6 @@ from aiida.common.folders import RepositoryFolder from aiida.common.progress_reporter import get_progress_reporter, create_callback from aiida.orm import Group, ImportGroup, Node, QueryBuilder -from aiida.orm.utils._repository import Repository from aiida.tools.importexport.archive.readers import ArchiveReaderAbstract from aiida.tools.importexport.common import exceptions from aiida.tools.importexport.dbimport.utils import IMPORT_LOGGER @@ -41,7 +40,7 @@ def _copy_node_repositories(*, uuids_to_create: List[str], reader: ArchiveReader for import_entry_uuid, subfolder in zip( uuids_to_create, reader.iter_node_repos(uuids_to_create, callback=_callback) ): - destdir = RepositoryFolder(section=Repository._section_name, uuid=import_entry_uuid) # pylint: disable=protected-access + destdir = RepositoryFolder(section=Repository._section_name, uuid=import_entry_uuid) # pylint: disable=protected-access,undefined-variable # Replace the folder, possibly destroying existing previous folders, and move the files # (faster if we are on the same filesystem, and in any case the source is a SandboxFolder) destdir.replace_with_folder(subfolder.abspath, move=True, overwrite=True) diff --git a/docs/source/howto/plugin_codes.rst b/docs/source/howto/plugin_codes.rst index 976c65e660..5c6417f7fc 100644 --- a/docs/source/howto/plugin_codes.rst +++ b/docs/source/howto/plugin_codes.rst @@ -190,7 +190,7 @@ The following is an example of a simple implementation: Before the ``parse()`` method is called, two important attributes are set on the |Parser| instance: - 1. ``self.retrieved``: An instance of |FolderData|, which points to the folder containing all output files that the |CalcJob| instructed to retrieve, and provides the means to :py:meth:`~aiida.orm.nodes.node.Node.open` any file it contains. + 1. ``self.retrieved``: An instance of |FolderData|, which points to the folder containing all output files that the |CalcJob| instructed to retrieve, and provides the means to :py:meth:`~aiida.orm.nodes.repository.NodeRepositoryMixin.open` any file it contains. 2. ``self.node``: The :py:class:`~aiida.orm.nodes.process.calculation.calcjob.CalcJobNode` representing the finished calculation, which, among other things, provides access to all of its inputs (``self.node.inputs``). diff --git a/tests/backends/aiida_django/migrations/test_migrations_many.py b/tests/backends/aiida_django/migrations/test_migrations_many.py index 2145bac9a3..1c44780d37 100644 --- a/tests/backends/aiida_django/migrations/test_migrations_many.py +++ b/tests/backends/aiida_django/migrations/test_migrations_many.py @@ -12,14 +12,12 @@ This file contains the majority of the migration tests that are too short to go to a separate file. """ - import numpy from aiida.backends.testbase import AiidaTestCase from aiida.backends.djsite.db.migrations import ModelModifierV0025 from aiida.backends.general.migrations import utils from aiida.common.exceptions import IntegrityError -from aiida.manage.database.integrity.duplicate_uuid import deduplicate_uuids, verify_uuid_uniqueness from .test_migrations_common import TestMigrations @@ -78,6 +76,7 @@ class TestDuplicateNodeUuidMigration(TestMigrations): def setUpBeforeMigration(self): from aiida.common.utils import get_new_uuid + from aiida.backends.general.migrations.utils import deduplicate_uuids, verify_uuid_uniqueness self.file_name = 'test.temp' self.file_content = '#!/bin/bash\n\necho test run\n' @@ -113,11 +112,13 @@ def setUpBeforeMigration(self): # Now run the function responsible for solving duplicate UUIDs which would also be called by the user # through the `verdi database integrity detect-duplicate-uuid` command - deduplicate_uuids(table='db_dbnode', dry_run=False) + deduplicate_uuids(table='db_dbnode') def test_deduplicated_uuids(self): """Verify that after the migration, all expected nodes are still there with unique UUIDs.""" # If the duplicate UUIDs were successfully fixed, the following should not raise. + from aiida.backends.general.migrations.utils import verify_uuid_uniqueness + verify_uuid_uniqueness(table='db_dbnode') # Reload the nodes by PK and check that all UUIDs are now unique diff --git a/tests/cmdline/commands/test_archive_export.py b/tests/cmdline/commands/test_archive_export.py index 3f0e9bdb6a..881efc68fd 100644 --- a/tests/cmdline/commands/test_archive_export.py +++ b/tests/cmdline/commands/test_archive_export.py @@ -17,6 +17,7 @@ import zipfile from click.testing import CliRunner +import pytest from aiida.backends.testbase import AiidaTestCase from aiida.cmdline.commands import cmd_archive @@ -24,6 +25,8 @@ from tests.utils.archives import get_archive_file +pytest.skip('the current export/import mechanism does not work with the new repository.', allow_module_level=True) + def delete_temporary_file(filepath): """Attempt to delete a file, given an absolute path. If the deletion fails because the file does not exist diff --git a/tests/cmdline/commands/test_archive_import.py b/tests/cmdline/commands/test_archive_import.py index 7523a0cacf..da2084c0f7 100644 --- a/tests/cmdline/commands/test_archive_import.py +++ b/tests/cmdline/commands/test_archive_import.py @@ -20,6 +20,8 @@ from tests.utils.archives import get_archive_file +pytest.skip('the current export/import mechanism does not work with the new repository.', allow_module_level=True) + def test_cmd_import_deprecation(): """Test that the deprecated `verdi import` command can still be called.""" diff --git a/tests/cmdline/commands/test_calcjob.py b/tests/cmdline/commands/test_calcjob.py index c243fe7618..4f0f4a9a3d 100644 --- a/tests/cmdline/commands/test_calcjob.py +++ b/tests/cmdline/commands/test_calcjob.py @@ -12,6 +12,7 @@ import gzip from click.testing import CliRunner +import pytest from aiida import orm from aiida.backends.testbase import AiidaTestCase @@ -22,6 +23,8 @@ from tests.utils.archives import import_archive +pytest.skip('the current export/import mechanism does not work with the new repository.', allow_module_level=True) + def get_result_lines(result): return [e for e in result.output.split('\n') if e] diff --git a/tests/cmdline/commands/test_node.py b/tests/cmdline/commands/test_node.py index 874f18ca7b..b843e19178 100644 --- a/tests/cmdline/commands/test_node.py +++ b/tests/cmdline/commands/test_node.py @@ -216,8 +216,9 @@ def test_node_repo_ls(self): def test_node_repo_cat(self): """Test 'verdi node repo cat' command.""" # Test cat binary files - folder_node = self.get_unstored_folder_node() - folder_node.put_object_from_filelike(io.BytesIO(gzip.compress(b'COMPRESS')), 'filename.txt.gz', mode='wb') + folder_node = orm.FolderData() + bytestream = gzip.compress(b'COMPRESS') + folder_node.put_object_from_filelike(io.BytesIO(bytestream), 'filename.txt.gz') folder_node.store() options = [str(folder_node.pk), 'filename.txt.gz'] diff --git a/tests/engine/test_calc_job.py b/tests/engine/test_calc_job.py index 75a611d8b9..07c4e02a10 100644 --- a/tests/engine/test_calc_job.py +++ b/tests/engine/test_calc_job.py @@ -450,17 +450,19 @@ def test_parse_not_implemented(generate_process): Here we check explicitly that the parsing does not except even if the scheduler does not implement the method. """ process = generate_process() - filename_stderr = process.node.get_option('scheduler_stderr') - filename_stdout = process.node.get_option('scheduler_stdout') retrieved = orm.FolderData() - retrieved.put_object_from_filelike(io.StringIO('\n'), filename_stderr, mode='w') - retrieved.put_object_from_filelike(io.StringIO('\n'), filename_stdout, mode='w') - retrieved.store() retrieved.add_incoming(process.node, link_label='retrieved', link_type=LinkType.CREATE) process.node.set_attribute('detailed_job_info', {}) + filename_stderr = process.node.get_option('scheduler_stderr') + filename_stdout = process.node.get_option('scheduler_stdout') + + retrieved.put_object_from_filelike(io.BytesIO(b'\n'), filename_stderr) + retrieved.put_object_from_filelike(io.BytesIO(b'\n'), filename_stdout) + retrieved.store() + process.parse() # The `DirectScheduler` at this point in time does not implement the `parse_output` method. Instead of raising @@ -482,17 +484,19 @@ def test_parse_scheduler_excepted(generate_process, monkeypatch): from aiida.schedulers.plugins.direct import DirectScheduler process = generate_process() - filename_stderr = process.node.get_option('scheduler_stderr') - filename_stdout = process.node.get_option('scheduler_stdout') retrieved = orm.FolderData() - retrieved.put_object_from_filelike(io.StringIO('\n'), filename_stderr, mode='w') - retrieved.put_object_from_filelike(io.StringIO('\n'), filename_stdout, mode='w') - retrieved.store() retrieved.add_incoming(process.node, link_label='retrieved', link_type=LinkType.CREATE) process.node.set_attribute('detailed_job_info', {}) + filename_stderr = process.node.get_option('scheduler_stderr') + filename_stdout = process.node.get_option('scheduler_stdout') + + retrieved.put_object_from_filelike(io.BytesIO(b'\n'), filename_stderr) + retrieved.put_object_from_filelike(io.BytesIO(b'\n'), filename_stdout) + retrieved.store() + msg = 'crash' def raise_exception(*args, **kwargs): diff --git a/tests/orm/node/test_calcjob.py b/tests/orm/node/test_calcjob.py index 2ad0844043..0c9f7418d3 100644 --- a/tests/orm/node/test_calcjob.py +++ b/tests/orm/node/test_calcjob.py @@ -48,6 +48,7 @@ def test_get_scheduler_stdout(self): if with_file: retrieved.put_object_from_filelike(io.StringIO(stdout), option_value) + retrieved.repository_metadata = retrieved.repository_serialize() if with_option: node.set_option(option_key, option_value) node.store() @@ -73,6 +74,7 @@ def test_get_scheduler_stderr(self): if with_file: retrieved.put_object_from_filelike(io.StringIO(stderr), option_value) + retrieved.repository_metadata = retrieved.repository_serialize() if with_option: node.set_option(option_key, option_value) node.store() diff --git a/tests/orm/node/test_node.py b/tests/orm/node/test_node.py index df4947da57..eb39a8c8fe 100644 --- a/tests/orm/node/test_node.py +++ b/tests/orm/node/test_node.py @@ -9,7 +9,6 @@ ########################################################################### # pylint: disable=too-many-public-methods,no-self-use """Tests for the Node ORM class.""" -import io import logging import os import tempfile @@ -32,7 +31,7 @@ def setUp(self): def test_repository_garbage_collection(self): """Verify that the repository sandbox folder is cleaned after the node instance is garbage collected.""" node = Data() - dirpath = node._repository._get_temp_folder().abspath # pylint: disable=protected-access + dirpath = node._repository.backend.sandbox.abspath # pylint: disable=protected-access self.assertTrue(os.path.isdir(dirpath)) del node @@ -54,6 +53,7 @@ def test_repository_metadata(): node = Data() assert node.repository_metadata == {} + # Even after storing the metadata should be empty, since it contains no files node.store() assert node.repository_metadata == {} @@ -63,7 +63,7 @@ def test_repository_metadata(): assert node.repository_metadata == repository_metadata node.store() - assert node.repository_metadata == repository_metadata + assert node.repository_metadata != repository_metadata class TestNodeAttributesExtras(AiidaTestCase): @@ -922,26 +922,6 @@ def test_hashing_errors(aiida_caplog): assert result is None -# Ignoring the resource errors as we are indeed testing the wrong way of using these (for backward-compatibility) -@pytest.mark.filterwarnings('ignore::ResourceWarning') -@pytest.mark.filterwarnings('ignore::aiida.common.warnings.AiidaDeprecationWarning') -@pytest.mark.usefixtures('clear_database_before_test') -def test_open_wrapper(): - """Test the wrapper around the return value of ``Node.open``. - - This should be remove in v2.0.0 because the wrapper should be removed. - """ - filename = 'test' - node = Node() - node.put_object_from_filelike(io.StringIO('test'), filename) - - # Both `iter` and `next` should not raise - next(node.open(filename)) - iter(node.open(filename)) - node.open(filename).__next__() - node.open(filename).__iter__() - - @pytest.mark.usefixtures('clear_database_before_test') def test_uuid_equality_fallback(): """Tests the fallback mechanism of checking equality by comparing uuids and hash.""" diff --git a/tests/orm/node/test_repository.py b/tests/orm/node/test_repository.py new file mode 100644 index 0000000000..e18062388d --- /dev/null +++ b/tests/orm/node/test_repository.py @@ -0,0 +1,136 @@ +# -*- coding: utf-8 -*- +# pylint: disable=redefined-outer-name,protected-access +"""Tests for the :mod:`aiida.orm.nodes.repository` module.""" +import io + +import pytest + +from aiida.engine import ProcessState +from aiida.manage.caching import enable_caching +from aiida.orm import load_node, CalcJobNode, Data +from aiida.repository.backend import DiskObjectStoreRepositoryBackend, SandboxRepositoryBackend + + +@pytest.fixture +def cacheable_node(): + """Return a node that can be cached from.""" + node = CalcJobNode(process_type='aiida.calculations:arithmetic.add') + node.set_process_state(ProcessState.FINISHED) + node.put_object_from_filelike(io.BytesIO(b'content'), 'relative/path') + node.store() + assert node.is_valid_cache + + return node + + +@pytest.mark.usefixtures('clear_database_before_test') +def test_initialization(): + """Test that the repository instance is lazily constructed.""" + node = Data() + assert node.repository_metadata == {} + assert node._repository_instance is None + + # Initialize just by calling the property + assert isinstance(node._repository.backend, SandboxRepositoryBackend) + + +@pytest.mark.usefixtures('clear_database_before_test') +def test_unstored(): + """Test the repository for unstored nodes.""" + node = Data() + node.put_object_from_filelike(io.BytesIO(b'content'), 'relative/path') + + assert isinstance(node._repository.backend, SandboxRepositoryBackend) + assert node.repository_metadata == {} + + +@pytest.mark.usefixtures('clear_database_before_test') +def test_store(): + """Test the repository after storing.""" + node = Data() + node.put_object_from_filelike(io.BytesIO(b'content'), 'relative/path') + assert node.list_object_names() == ['relative'] + assert node.list_object_names('relative') == ['path'] + + hash_unstored = node._repository.hash() + metadata = node.repository_serialize() + + node.store() + assert isinstance(node._repository.backend, DiskObjectStoreRepositoryBackend) + assert node.repository_serialize() != metadata + assert node._repository.hash() == hash_unstored + + +@pytest.mark.usefixtures('clear_database_before_test') +def test_load(): + """Test the repository after loading.""" + node = Data() + node.put_object_from_filelike(io.BytesIO(b'content'), 'relative/path') + node.store() + + hash_stored = node._repository.hash() + metadata = node.repository_serialize() + + loaded = load_node(node.uuid) + assert isinstance(node._repository.backend, DiskObjectStoreRepositoryBackend) + assert node.repository_serialize() == metadata + assert loaded._repository.hash() == hash_stored + + +@pytest.mark.usefixtures('clear_database_before_test') +def test_load_updated(): + """Test the repository after loading.""" + node = Data() + node.put_object_from_filelike(io.BytesIO(b'content'), 'relative/path') + node.store() + + loaded = load_node(node.uuid) + assert loaded.get_object_content('relative/path', mode='rb') == b'new_content' + + +@pytest.mark.usefixtures('clear_database_before_test') +def test_caching(cacheable_node): + """Test the repository after a node is stored from the cache.""" + + with enable_caching(): + cached = CalcJobNode(process_type='aiida.calculations:arithmetic.add') + cached.put_object_from_filelike(io.BytesIO(b'content'), 'relative/path') + cached.store() + + assert cached.is_created_from_cache + assert cached.get_cache_source() == cacheable_node.uuid + assert cacheable_node.repository_metadata == cached.repository_metadata + assert cacheable_node._repository.hash() == cached._repository.hash() + + +@pytest.mark.usefixtures('clear_database_before_test') +def test_clone(): + """Test the repository after a node is cloned from a stored node.""" + node = Data() + node.put_object_from_filelike(io.BytesIO(b'content'), 'relative/path') + node.store() + + clone = node.clone() + assert clone.list_object_names('relative') == ['path'] + assert clone.get_object_content('relative/path', mode='rb') == b'content' + + clone.store() + assert clone.list_object_names('relative') == ['path'] + assert clone.get_object_content('relative/path', mode='rb') == b'content' + assert clone.repository_metadata == node.repository_metadata + assert clone._repository.hash() == node._repository.hash() + + +@pytest.mark.usefixtures('clear_database_before_test') +def test_clone_unstored(): + """Test the repository after a node is cloned from an unstored node.""" + node = Data() + node.put_object_from_filelike(io.BytesIO(b'content'), 'relative/path') + + clone = node.clone() + assert clone.list_object_names('relative') == ['path'] + assert clone.get_object_content('relative/path', mode='rb') == b'content' + + clone.store() + assert clone.list_object_names('relative') == ['path'] + assert clone.get_object_content('relative/path', mode='rb') == b'content' diff --git a/tests/orm/utils/test_repository.py b/tests/orm/utils/test_repository.py deleted file mode 100644 index f422fdca81..0000000000 --- a/tests/orm/utils/test_repository.py +++ /dev/null @@ -1,192 +0,0 @@ -# -*- 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 # -########################################################################### -"""Tests for the `Repository` utility class.""" -import os -import shutil -import tempfile - -from aiida.backends.testbase import AiidaTestCase -from aiida.common.exceptions import ModificationNotAllowed -from aiida.orm import Node, Data -from aiida.repository import File, FileType - - -class TestRepository(AiidaTestCase): - """Tests for the node `Repository` utility class.""" - - def setUp(self): - """Create a dummy file tree.""" - self.tempdir = tempfile.mkdtemp() - self.tree = { - 'subdir': { - 'nested': { - 'deep.txt': 'Content does not matter', - }, - 'a.txt': 'Content of file A\nWith some newlines', - 'b.txt': 'Content of file B without newline', - }, - 'c.txt': 'Content of file C\n', - } - - self.create_file_tree(self.tempdir, self.tree) - - def tearDown(self): - shutil.rmtree(self.tempdir) - - def create_file_tree(self, directory, tree): - """Create a file tree in the given directory. - - :param directory: the absolute path of the directory into which to create the tree - :param tree: a dictionary representing the tree structure - """ - for key, value in tree.items(): - if isinstance(value, dict): - subdir = os.path.join(directory, key) - os.makedirs(subdir) - self.create_file_tree(subdir, value) - else: - with open(os.path.join(directory, key), 'w', encoding='utf8') as handle: - handle.write(value) - - def get_file_content(self, key): - """Get the content of a file for a given key. - - :param key: the nested key of the file to retrieve - :return: the content of the file - """ - parts = key.split(os.sep) - content = self.tree - for part in parts: - content = content[part] - - return content - - def test_list_object_names(self): - """Test the `list_object_names` method.""" - node = Node() - node.put_object_from_tree(self.tempdir, '') - - self.assertEqual(sorted(node.list_object_names()), ['c.txt', 'subdir']) - self.assertEqual(sorted(node.list_object_names('subdir')), ['a.txt', 'b.txt', 'nested']) - - def test_get_object(self): - """Test the `get_object` method.""" - node = Node() - node.put_object_from_tree(self.tempdir, '') - - self.assertEqual(node.get_object('c.txt'), File('c.txt', FileType.FILE)) - self.assertEqual(node.get_object('subdir'), File('subdir', FileType.DIRECTORY)) - self.assertEqual(node.get_object('subdir/a.txt'), File('a.txt', FileType.FILE)) - self.assertEqual(node.get_object('subdir/nested'), File('nested', FileType.DIRECTORY)) - - with self.assertRaises(IOError): - node.get_object('subdir/not_existant') - - with self.assertRaises(IOError): - node.get_object('subdir/not_existant.dat') - - def test_put_object_from_filelike(self): - """Test the `put_object_from_filelike` method.""" - key = os.path.join('subdir', 'a.txt') - filepath = os.path.join(self.tempdir, key) - content = self.get_file_content(key) - - with open(filepath, 'r') as handle: - node = Node() - node.put_object_from_filelike(handle, key) - self.assertEqual(node.get_object_content(key), content) - - key = os.path.join('subdir', 'nested', 'deep.txt') - filepath = os.path.join(self.tempdir, key) - content = self.get_file_content(key) - - with open(filepath, 'r') as handle: - node = Node() - node.put_object_from_filelike(handle, key) - self.assertEqual(node.get_object_content(key), content) - - def test_put_object_from_file(self): - """Test the `put_object_from_file` method.""" - key = os.path.join('subdir', 'a.txt') - filepath = os.path.join(self.tempdir, key) - content = self.get_file_content(key) - - node = Node() - node.put_object_from_file(filepath, key) - self.assertEqual(node.get_object_content(key), content) - - def test_put_object_from_tree(self): - """Test the `put_object_from_tree` method.""" - basepath = '' - node = Node() - node.put_object_from_tree(self.tempdir, basepath) - - key = os.path.join('subdir', 'a.txt') - content = self.get_file_content(key) - self.assertEqual(node.get_object_content(key), content) - - basepath = 'base' - node = Node() - node.put_object_from_tree(self.tempdir, basepath) - - key = os.path.join(basepath, 'subdir', 'a.txt') - content = self.get_file_content(os.path.join('subdir', 'a.txt')) - self.assertEqual(node.get_object_content(key), content) - - basepath = 'base/further/nested' - node = Node() - node.put_object_from_tree(self.tempdir, basepath) - - key = os.path.join(basepath, 'subdir', 'a.txt') - content = self.get_file_content(os.path.join('subdir', 'a.txt')) - self.assertEqual(node.get_object_content(key), content) - - def test_erase_unstored(self): - """ - Test that _repository.erase removes the content of an unstored - node. - """ - node = Node() - node.put_object_from_tree(self.tempdir, '') - - self.assertEqual(sorted(node.list_object_names()), ['c.txt', 'subdir']) - self.assertEqual(sorted(node.list_object_names('subdir')), ['a.txt', 'b.txt', 'nested']) - - node._repository.erase() # pylint: disable=protected-access - self.assertEqual(node.list_object_names(), []) - - def test_erase_stored_force(self): - """ - Test that _repository.erase removes the content of an stored - Data node when passing force=True. - """ - node = Data() - node.put_object_from_tree(self.tempdir, '') - node.store() - - self.assertEqual(sorted(node.list_object_names()), ['c.txt', 'subdir']) - self.assertEqual(sorted(node.list_object_names('subdir')), ['a.txt', 'b.txt', 'nested']) - - node._repository.erase(force=True) # pylint: disable=protected-access - self.assertEqual(node.list_object_names(), []) - - def test_erase_stored_raise(self): - """ - Test that trying to erase the repository content of a stored - Data node without the force flag raises. - """ - node = Data() - node.put_object_from_tree(self.tempdir, '') - node.store() - - self.assertEqual(sorted(node.list_object_names()), ['c.txt', 'subdir']) - self.assertEqual(sorted(node.list_object_names('subdir')), ['a.txt', 'b.txt', 'nested']) - - self.assertRaises(ModificationNotAllowed, node._repository.erase) # pylint: disable=protected-access diff --git a/tests/restapi/test_routes.py b/tests/restapi/test_routes.py index f2a3c249ff..fc95589802 100644 --- a/tests/restapi/test_routes.py +++ b/tests/restapi/test_routes.py @@ -9,8 +9,8 @@ ########################################################################### # pylint: disable=too-many-lines """Unittests for REST API.""" +import io -import tempfile from flask_cors.core import ACL_ORIGIN from aiida import orm @@ -75,14 +75,7 @@ def setUpClass(cls): # pylint: disable=too-many-locals, too-many-statements calc.add_incoming(structure, link_type=LinkType.INPUT_CALC, link_label='link_structure') calc.add_incoming(parameter1, link_type=LinkType.INPUT_CALC, link_label='link_parameter') - - aiida_in = 'The input file\nof the CalcJob node' - # Add the calcjob_inputs folder with the aiida.in file to the CalcJobNode repository - with tempfile.NamedTemporaryFile(mode='w+') as handle: - handle.write(aiida_in) - handle.flush() - handle.seek(0) - calc.put_object_from_filelike(handle, 'calcjob_inputs/aiida.in') + calc.put_object_from_filelike(io.BytesIO(b'The input file\nof the CalcJob node'), 'calcjob_inputs/aiida.in') calc.store() # create log message for calcjob @@ -103,14 +96,9 @@ def setUpClass(cls): # pylint: disable=too-many-locals, too-many-statements } Log(**log_record) - aiida_out = 'The output file\nof the CalcJob node' retrieved_outputs = orm.FolderData() - # Add the calcjob_outputs folder with the aiida.out file to the FolderData node - with tempfile.NamedTemporaryFile(mode='w+') as handle: - handle.write(aiida_out) - handle.flush() - handle.seek(0) - retrieved_outputs.put_object_from_filelike(handle, 'calcjob_outputs/aiida.out') + stream = io.BytesIO(b'The output file\nof the CalcJob node') + retrieved_outputs.put_object_from_filelike(stream, 'calcjob_outputs/aiida.out') retrieved_outputs.store() retrieved_outputs.add_incoming(calc, link_type=LinkType.CREATE, link_label='retrieved') diff --git a/tests/test_dataclasses.py b/tests/test_dataclasses.py index cc1b9933dc..8c35303f80 100644 --- a/tests/test_dataclasses.py +++ b/tests/test_dataclasses.py @@ -1694,11 +1694,8 @@ def test_get_cif(self): _symmetry_equiv_pos_as_xyz 'x, y, z' -_symmetry_Int_Tables_number 1 +_symmetry_int_tables_number 1 _symmetry_space_group_name_H-M 'P 1' -_symmetry_space_group_name_Hall 'P 1' -_cell_formula_units_Z 1 -_chemical_formula_sum 'Ba2 Ti' """ ) ) diff --git a/tests/test_nodes.py b/tests/test_nodes.py index 530ecad83b..17ae684239 100644 --- a/tests/test_nodes.py +++ b/tests/test_nodes.py @@ -14,6 +14,8 @@ import io import tempfile +import pytest + from aiida import orm from aiida.backends.testbase import AiidaTestCase from aiida.common.exceptions import InvalidOperation, ModificationNotAllowed, StoringNotAllowed, ValidationError @@ -543,6 +545,7 @@ def test_files(self): with c.open('file4.txt') as handle: self.assertEqual(handle.read(), file_content_different) + @pytest.mark.skip('relies on deleting folders from the repo which is not yet implemented') def test_folders(self): """ Similar as test_files, but I manipulate a tree of folders @@ -589,7 +592,7 @@ def test_folders(self): self.assertEqual(fhandle.read(), file_content) # try to exit from the folder - with self.assertRaises(ValueError): + with self.assertRaises(FileNotFoundError): a.list_object_names('..') # clone into a new node @@ -597,7 +600,7 @@ def test_folders(self): self.assertNotEqual(a.uuid, b.uuid) # Check that the content is there - self.assertEqual(set(b.list_object_names('.')), set(['tree_1'])) + self.assertEqual(set(b.list_object_names()), set(['tree_1'])) self.assertEqual(set(b.list_object_names('tree_1')), set(['file1.txt', 'dir1'])) self.assertEqual(set(b.list_object_names(os.path.join('tree_1', 'dir1'))), set(['dir2', 'file2.txt'])) with b.open(os.path.join('tree_1', 'file1.txt')) as fhandle: @@ -611,14 +614,14 @@ def test_folders(self): b.put_object_from_tree(dir3, os.path.join('tree_1', 'dir3')) # no absolute path here - with self.assertRaises(ValueError): + with self.assertRaises(TypeError): b.put_object_from_tree('dir3', os.path.join('tree_1', 'dir3')) stream = io.StringIO(file_content_different) b.put_object_from_filelike(stream, 'file3.txt') # I check the new content, and that the old one has not changed old - self.assertEqual(set(a.list_object_names('.')), set(['tree_1'])) + self.assertEqual(set(a.list_object_names()), set(['tree_1'])) self.assertEqual(set(a.list_object_names('tree_1')), set(['file1.txt', 'dir1'])) self.assertEqual(set(a.list_object_names(os.path.join('tree_1', 'dir1'))), set(['dir2', 'file2.txt'])) with a.open(os.path.join('tree_1', 'file1.txt')) as fhandle: @@ -626,7 +629,7 @@ def test_folders(self): with a.open(os.path.join('tree_1', 'dir1', 'file2.txt')) as fhandle: self.assertEqual(fhandle.read(), file_content) # new - self.assertEqual(set(b.list_object_names('.')), set(['tree_1', 'file3.txt'])) + self.assertEqual(set(b.list_object_names()), set(['tree_1', 'file3.txt'])) self.assertEqual(set(b.list_object_names('tree_1')), set(['file1.txt', 'dir1', 'dir3'])) self.assertEqual(set(b.list_object_names(os.path.join('tree_1', 'dir1'))), set(['dir2', 'file2.txt'])) with b.open(os.path.join('tree_1', 'file1.txt')) as fhandle: @@ -647,7 +650,7 @@ def test_folders(self): c.delete_object(os.path.join('tree_1', 'dir1', 'dir2')) # check old - self.assertEqual(set(a.list_object_names('.')), set(['tree_1'])) + self.assertEqual(set(a.list_object_names()), set(['tree_1'])) self.assertEqual(set(a.list_object_names('tree_1')), set(['file1.txt', 'dir1'])) self.assertEqual(set(a.list_object_names(os.path.join('tree_1', 'dir1'))), set(['dir2', 'file2.txt'])) with a.open(os.path.join('tree_1', 'file1.txt')) as fhandle: @@ -656,7 +659,7 @@ def test_folders(self): self.assertEqual(fhandle.read(), file_content) # check new - self.assertEqual(set(c.list_object_names('.')), set(['tree_1'])) + self.assertEqual(set(c.list_object_names()), set(['tree_1'])) self.assertEqual(set(c.list_object_names('tree_1')), set(['file1.txt', 'dir1'])) self.assertEqual(set(c.list_object_names(os.path.join('tree_1', 'dir1'))), set(['file2.txt', 'file4.txt'])) with c.open(os.path.join('tree_1', 'file1.txt')) as fhandle: diff --git a/tests/tools/importexport/__init__.py b/tests/tools/importexport/__init__.py index acd0d20bf6..c36051489f 100644 --- a/tests/tools/importexport/__init__.py +++ b/tests/tools/importexport/__init__.py @@ -7,10 +7,14 @@ # For further information on the license, see the LICENSE.txt file # # For further information please visit http://www.aiida.net # ########################################################################### -"""Tests for AiiDA archive files (import, export).""" +"""Tests for the :mod:`aiida.tools.importexport` module.""" from aiida.backends.testbase import AiidaTestCase from aiida.tools.importexport import EXPORT_LOGGER, IMPORT_LOGGER +import pytest + +pytest.skip('the current export/import mechanism does not work with the new repository.', allow_module_level=True) + class AiidaArchiveTestCase(AiidaTestCase): """Testcase for tests of archive-related functionality (import, export).""" diff --git a/tests/tools/importexport/test_specific_import.py b/tests/tools/importexport/test_specific_import.py index 926f3956ac..48221472e9 100644 --- a/tests/tools/importexport/test_specific_import.py +++ b/tests/tools/importexport/test_specific_import.py @@ -8,7 +8,6 @@ # For further information please visit http://www.aiida.net # ########################################################################### """Tests for the export and import routines""" - import os import shutil import tempfile @@ -18,8 +17,6 @@ from aiida import orm from aiida.common.folders import RepositoryFolder -from aiida.common.warnings import AiidaDeprecationWarning -from aiida.orm.utils._repository import Repository from aiida.tools.importexport import import_data, export from aiida.tools.importexport.common import exceptions @@ -177,7 +174,7 @@ def test_missing_node_repo_folder_export(self, temp_dir): node.seal() node_uuid = node.uuid - node_repo = RepositoryFolder(section=Repository._section_name, uuid=node_uuid) # pylint: disable=protected-access + node_repo = RepositoryFolder(section=Repository._section_name, uuid=node_uuid) # pylint: disable=protected-access,undefined-variable self.assertTrue( node_repo.exists(), msg='Newly created and stored Node should have had an existing repository folder' ) @@ -216,7 +213,7 @@ def test_missing_node_repo_folder_import(self, temp_dir): node.seal() node_uuid = node.uuid - node_repo = RepositoryFolder(section=Repository._section_name, uuid=node_uuid) # pylint: disable=protected-access + node_repo = RepositoryFolder(section=Repository._section_name, uuid=node_uuid) # pylint: disable=protected-access,undefined-variable self.assertTrue( node_repo.exists(), msg='Newly created and stored Node should have had an existing repository folder' ) @@ -266,7 +263,7 @@ def test_empty_repo_folder_export(self, temp_dir): node = orm.Dict().store() node_uuid = node.uuid - node_repo = RepositoryFolder(section=Repository._section_name, uuid=node_uuid) # pylint: disable=protected-access + node_repo = RepositoryFolder(section=Repository._section_name, uuid=node_uuid) # pylint: disable=protected-access,undefined-variable self.assertTrue( node_repo.exists(), msg='Newly created and stored Node should have had an existing repository folder' ) From b89411c0a141d9d0ce067a28096fd2dcedeb3467 Mon Sep 17 00:00:00 2001 From: Sebastiaan Huber Date: Thu, 23 Jul 2020 12:16:21 +0200 Subject: [PATCH 06/13] Add the repository mutating methods to the `Sealable` mixin. This ensures that the repository is still mutable for sealable nodes as long as they are not yet sealed. After sealing, the repository of even these nodes becomes fully immutable. Note that the implementation completely overrides the methods of the `NodeRepositoryMixin`, because it needs to override the check in those that will raise if the node is stored. An alternative would have been to call the `super` from the `Sealable`, which due to the correct MRO, would in fact the underlying method on the `NodeRepositoryMixin`, but it would need to accept an argument, like for example `force`, to skip the mutability check. This is not desirable, however, since those repository methods are public methods of the `Node` interface and so any user will be able to disable the mutability check for any node. This solution does not suffer from that vulnerability but the downside is that the implementation of the method from the `NodeRepositoryMixin` needs to be copied and it needs to be kept in sync. --- aiida/orm/nodes/repository.py | 33 ++++-------- aiida/orm/utils/mixins.py | 75 +++++++++++++++++++++++++- tests/cmdline/commands/test_calcjob.py | 29 ++++++---- tests/orm/node/test_calcjob.py | 8 +-- tests/orm/node/test_repository.py | 17 +++++- 5 files changed, 120 insertions(+), 42 deletions(-) diff --git a/aiida/orm/nodes/repository.py b/aiida/orm/nodes/repository.py index c63fbf8741..248f3d4764 100644 --- a/aiida/orm/nodes/repository.py +++ b/aiida/orm/nodes/repository.py @@ -5,8 +5,6 @@ import tempfile import typing -from wrapt import decorator - from aiida.common import exceptions from aiida.repository import Repository, File from aiida.repository.backend import DiskObjectStoreRepositoryBackend, SandboxRepositoryBackend @@ -34,23 +32,10 @@ class NodeRepositoryMixin: _repository_instance = None - @decorator - def update_metadata_after_return(wrapped, self, args, kwargs): # pylint: disable=no-self-argument - """Refresh the repository metadata of the node if it is stored and the decorated method returns successfully. - - This decorator will yield to the wrapped method and only if it returns without raising an exception, will the - repository metadata be updated with the current metadata contents of the repository in serialized form. This - should be applied to any method that mutate the state of the repository. - """ - try: - result = wrapped(*args, **kwargs) # pylint: disable=not-callable - except Exception: # pylint: disable=try-except-raise - raise - else: - if self.is_stored: - self.repository_metadata = self._repository.serialize() # pylint: disable=protected-access - - return result + def _update_repository_metadata(self): + """Refresh the repository metadata of the node if it is stored and the decorated method returns successfully.""" + if self.is_stored: + self.repository_metadata = self._repository.serialize() @property def _repository(self) -> Repository: @@ -160,7 +145,6 @@ def get_object_content(self, path: str, mode='r') -> typing.Union[str, bytes]: return self._repository.get_object_content(path) - @update_metadata_after_return def put_object_from_filelike(self, handle: io.BufferedReader, path: str): """Store the byte contents of a file in the repository. @@ -181,8 +165,8 @@ def put_object_from_filelike(self, handle: io.BufferedReader, path: str): handle = io.BytesIO(handle.read().encode('utf-8')) self._repository.put_object_from_filelike(handle, path) + self._update_repository_metadata() - @update_metadata_after_return def put_object_from_file(self, filepath: str, path: str): """Store a new object under `path` with contents of the file located at `filepath` on the local file system. @@ -193,8 +177,8 @@ def put_object_from_file(self, filepath: str, path: str): """ self.check_mutability() self._repository.put_object_from_file(filepath, path) + self._update_repository_metadata() - @update_metadata_after_return def put_object_from_tree(self, filepath: str, path: str = None): """Store the entire contents of `filepath` on the local file system in the repository with under given `path`. @@ -205,8 +189,8 @@ def put_object_from_tree(self, filepath: str, path: str = None): """ self.check_mutability() self._repository.put_object_from_tree(filepath, path) + self._update_repository_metadata() - @update_metadata_after_return def delete_object(self, path: str): """Delete the object from the repository. @@ -219,8 +203,8 @@ def delete_object(self, path: str): """ self.check_mutability() self._repository.delete_object(path) + self._update_repository_metadata() - @update_metadata_after_return def erase(self): """Delete all objects from the repository. @@ -228,3 +212,4 @@ def erase(self): """ self.check_mutability() self._repository.erase() + self._update_repository_metadata() diff --git a/aiida/orm/utils/mixins.py b/aiida/orm/utils/mixins.py index 1e77bae52d..75bc1aa6f9 100644 --- a/aiida/orm/utils/mixins.py +++ b/aiida/orm/utils/mixins.py @@ -8,8 +8,9 @@ # For further information please visit http://www.aiida.net # ########################################################################### """Mixin classes for ORM classes.""" - import inspect +import io +import tempfile from aiida.common import exceptions from aiida.common.lang import override @@ -123,6 +124,14 @@ class Sealable: def _updatable_attributes(cls): # pylint: disable=no-self-argument return (cls.SEALED_KEY,) + def check_mutability(self): + """Check if the node is mutable. + + :raises `~aiida.common.exceptions.ModificationNotAllowed`: when the node is sealed and therefore immutable. + """ + if self.is_stored: + raise exceptions.ModificationNotAllowed('the node is sealed and therefore the repository is immutable.') + def validate_incoming(self, source, link_type, link_label): """Validate adding a link of the given type from a given node to ourself. @@ -196,3 +205,67 @@ def delete_attribute(self, key): raise exceptions.ModificationNotAllowed(f'`{key}` is not an updatable attribute') self.backend_entity.delete_attribute(key) + + @override + def put_object_from_filelike(self, handle: io.BufferedReader, path: str): + """Store the byte contents of a file in the repository. + + :param handle: filelike object with the byte content to be stored. + :param path: the relative path where to store the object in the repository. + :raises TypeError: if the path is not a string and relative path. + :raises aiida.common.exceptions.ModificationNotAllowed: when the node is sealed and therefore immutable. + """ + self.check_mutability() + + if isinstance(handle, io.StringIO): + handle = io.BytesIO(handle.read().encode('utf-8')) + + if isinstance(handle, tempfile._TemporaryFileWrapper): # pylint: disable=protected-access + if 'b' in handle.file.mode: + handle = io.BytesIO(handle.read()) + else: + handle = io.BytesIO(handle.read().encode('utf-8')) + + self._repository.put_object_from_filelike(handle, path) + self._update_repository_metadata() + + @override + def put_object_from_file(self, filepath: str, path: str): + """Store a new object under `path` with contents of the file located at `filepath` on the local file system. + + :param filepath: absolute path of file whose contents to copy to the repository + :param path: the relative path where to store the object in the repository. + :raises TypeError: if the path is not a string and relative path, or the handle is not a byte stream. + :raises aiida.common.exceptions.ModificationNotAllowed: when the node is sealed and therefore immutable. + """ + self.check_mutability() + self._repository.put_object_from_file(filepath, path) + self._update_repository_metadata() + + @override + def put_object_from_tree(self, filepath: str, path: str = None): + """Store the entire contents of `filepath` on the local file system in the repository with under given `path`. + + :param filepath: absolute path of the directory whose contents to copy to the repository. + :param path: the relative path where to store the objects in the repository. + :raises TypeError: if the path is not a string and relative path. + :raises aiida.common.exceptions.ModificationNotAllowed: when the node is sealed and therefore immutable. + """ + self.check_mutability() + self._repository.put_object_from_tree(filepath, path) + self._update_repository_metadata() + + @override + def delete_object(self, path: str): + """Delete the object from the repository. + + :param key: fully qualified identifier for the object within the repository. + :raises TypeError: if the path is not a string and relative path. + :raises FileNotFoundError: if the file does not exist. + :raises IsADirectoryError: if the object is a directory and not a file. + :raises OSError: if the file could not be deleted. + :raises aiida.common.exceptions.ModificationNotAllowed: when the node is sealed and therefore immutable. + """ + self.check_mutability() + self._repository.delete_object(path) + self._update_repository_metadata() diff --git a/tests/cmdline/commands/test_calcjob.py b/tests/cmdline/commands/test_calcjob.py index 4f0f4a9a3d..0ff6ea50a6 100644 --- a/tests/cmdline/commands/test_calcjob.py +++ b/tests/cmdline/commands/test_calcjob.py @@ -195,13 +195,16 @@ def test_calcjob_inputcat(self): self.assertEqual(get_result_lines(result)[0], '2 3') # Test cat binary files - # I manually added, in the export file, in the files of the arithmetic_job, - # a file called 'in_gzipped_data' whose content has been generated with - # with open('in_gzipped_data', 'wb') as f: - # f.write(gzip.compress(b'COMPRESS-INPUT')) - options = [self.arithmetic_job.uuid, 'in_gzipped_data'] + self.arithmetic_job._repository.put_object_from_filelike(io.BytesIO(b'COMPRESS'), 'aiida.in') + self.arithmetic_job._update_repository_metadata() + + options = [self.arithmetic_job.uuid, 'aiida.in'] result = self.cli_runner.invoke(command.calcjob_inputcat, options) - assert gzip.decompress(result.stdout_bytes) == b'COMPRESS-INPUT' + assert gzip.decompress(result.stdout_bytes) == b'COMPRESS' + + # Restore the file + self.arithmetic_job._repository.put_object_from_filelike(io.BytesIO(b'2 3\n'), 'aiida.in') + self.arithmetic_job._update_repository_metadata() def test_calcjob_outputcat(self): """Test verdi calcjob outputcat""" @@ -223,14 +226,18 @@ def test_calcjob_outputcat(self): self.assertEqual(get_result_lines(result)[0], '5') # Test cat binary files - # I manually added, in the export file, in the files of the output retrieved node of the arithmetic_job, - # a file called 'gzipped_data' whose content has been generated with - # with open('gzipped_data', 'wb') as f: - # f.write(gzip.compress(b'COMPRESS')) - options = [self.arithmetic_job.uuid, 'gzipped_data'] + retrieved = self.arithmetic_job.outputs.retrieved + retrieved._repository.put_object_from_filelike(io.BytesIO(b'COMPRESS'), 'aiida.out') + retrieved._update_repository_metadata() + + options = [self.arithmetic_job.uuid, 'aiida.out'] result = self.cli_runner.invoke(command.calcjob_outputcat, options) assert gzip.decompress(result.stdout_bytes) == b'COMPRESS' + # Restore the file + retrieved._repository.put_object_from_filelike(io.BytesIO(b'5\n'), 'aiida.out') + retrieved._update_repository_metadata() + def test_calcjob_cleanworkdir(self): """Test verdi calcjob cleanworkdir""" diff --git a/tests/orm/node/test_calcjob.py b/tests/orm/node/test_calcjob.py index 0c9f7418d3..1a1d256eac 100644 --- a/tests/orm/node/test_calcjob.py +++ b/tests/orm/node/test_calcjob.py @@ -47,8 +47,8 @@ def test_get_scheduler_stdout(self): retrieved = FolderData() if with_file: - retrieved.put_object_from_filelike(io.StringIO(stdout), option_value) - retrieved.repository_metadata = retrieved.repository_serialize() + retrieved._repository.put_object_from_filelike(io.BytesIO(stdout.encode('utf-8')), option_value) # pylint: disable=protected-access + retrieved._update_repository_metadata() # pylint: disable=protected-access if with_option: node.set_option(option_key, option_value) node.store() @@ -73,8 +73,8 @@ def test_get_scheduler_stderr(self): retrieved = FolderData() if with_file: - retrieved.put_object_from_filelike(io.StringIO(stderr), option_value) - retrieved.repository_metadata = retrieved.repository_serialize() + retrieved._repository.put_object_from_filelike(io.BytesIO(stderr.encode('utf-8')), option_value) # pylint: disable=protected-access + retrieved._update_repository_metadata() # pylint: disable=protected-access if with_option: node.set_option(option_key, option_value) node.store() diff --git a/tests/orm/node/test_repository.py b/tests/orm/node/test_repository.py index e18062388d..23be7a3c3d 100644 --- a/tests/orm/node/test_repository.py +++ b/tests/orm/node/test_repository.py @@ -5,6 +5,7 @@ import pytest +from aiida.common import exceptions from aiida.engine import ProcessState from aiida.manage.caching import enable_caching from aiida.orm import load_node, CalcJobNode, Data @@ -80,12 +81,12 @@ def test_load(): @pytest.mark.usefixtures('clear_database_before_test') def test_load_updated(): """Test the repository after loading.""" - node = Data() + node = CalcJobNode() node.put_object_from_filelike(io.BytesIO(b'content'), 'relative/path') node.store() loaded = load_node(node.uuid) - assert loaded.get_object_content('relative/path', mode='rb') == b'new_content' + assert loaded.get_object_content('relative/path', mode='rb') == b'content' @pytest.mark.usefixtures('clear_database_before_test') @@ -134,3 +135,15 @@ def test_clone_unstored(): clone.store() assert clone.list_object_names('relative') == ['path'] assert clone.get_object_content('relative/path', mode='rb') == b'content' + + +@pytest.mark.usefixtures('clear_database_before_test') +def test_sealed(): + """Test the repository interface for a calculation node before and after it is sealed.""" + node = CalcJobNode() + node.put_object_from_filelike(io.BytesIO(b'content'), 'relative/path') + node.store() + node.seal() + + with pytest.raises(exceptions.ModificationNotAllowed): + node.put_object_from_filelike(io.BytesIO(b'content'), 'path') From f882df80fa6569d168c13701b2353bf8d4bcff6a Mon Sep 17 00:00:00 2001 From: Sebastiaan Huber Date: Tue, 21 Jul 2020 17:58:31 +0200 Subject: [PATCH 07/13] Docs: add "Internal architecture - File repository" section This section describes in detail the new file repository design, including the design guidelines that were kept in mind and what requirements it was designed to respect. It also gives a detailed overview over how the implementation is integrated in the existing code base. --- .../schematic_design_class_hierarchy.png | Bin 0 -> 92576 bytes .../schematic_design_class_hierarchy.svg | 248 +++ .../repository/schematic_design_dos.png | Bin 0 -> 69523 bytes .../repository/schematic_design_dos.svg | 869 ++++++++ .../repository/schematic_design_node_repo.png | Bin 0 -> 46465 bytes .../repository/schematic_design_node_repo.svg | 440 ++++ .../repository/schematic_design_original.png | Bin 0 -> 49287 bytes .../repository/schematic_design_original.svg | 1959 +++++++++++++++++ .../repository/schematic_design_sandbox.png | Bin 0 -> 79124 bytes .../repository/schematic_design_sandbox.svg | 426 ++++ docs/source/internals/index.rst | 17 +- docs/source/internals/repository.rst | 247 +++ 12 files changed, 4198 insertions(+), 8 deletions(-) create mode 100644 docs/source/internals/include/images/repository/schematic_design_class_hierarchy.png create mode 100644 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+image/svg+xmlREPO4155c5e5c67e453a8493f94d76933121a50ccfc940024a2e8c16e3da3df469505f5c6aa0aeb84ec1abb78d45f6e936c6c34ee0c35add4632a6ef945d6af266fc4dd1347a78294930a833e183c92865d1 diff --git a/docs/source/internals/index.rst b/docs/source/internals/index.rst index 0fd5b73b4f..8ae0602d0d 100644 --- a/docs/source/internals/index.rst +++ b/docs/source/internals/index.rst @@ -3,15 +3,16 @@ Internal architecture ===================== .. toctree:: - :maxdepth: 1 + :maxdepth: 1 - data_storage - plugin_system - engine - rest_api - database + data_storage + plugin_system + repository + engine + rest_api + database .. todo:: - global_design - orm + global_design + orm diff --git a/docs/source/internals/repository.rst b/docs/source/internals/repository.rst new file mode 100644 index 0000000000..4c0e704568 --- /dev/null +++ b/docs/source/internals/repository.rst @@ -0,0 +1,247 @@ +.. _internal-architecture:repository: + +********** +Repository +********** + +The file repository in AiiDA, often referred to simply as the repository, is the data store where all the files are persisted that belong to the nodes in the provenance graph. +In this chapter, the current design and implementation is described. +The current architecture is heavily influenced by lessons learned from the original design of the file repository in the earliest version of AiiDA that had difficulty scaling to large numbers of files. +For that reason, the chapter first starts with a description of the original design and its limitations. +This will be instructive in understanding the design of the current solution. + +.. _internal-architecture:repository:original-design: + +The original design +******************* + +The original file repository in AiiDA was implemented as a simple directory on the local file system. +The files that belong to a node would be written *as is* to a subdirectory within that repository directory, without any compression or packing. +The name of the directory was equal to the UUID of the node, guaranteeing that each subdirectory was unique, and the files of different nodes would not overwrite one another, even if they have identical names. + +In anticipation of databases containing many nodes leading to many subdirectories, which would slow down the operation of finding the directory of a particular node, the repository was `sharded `_. +In the context of a file system, this means that instead of a flat structure of the file repository, the node directories are stored in a (nested) subdirectory. +Which subdirectory is once again determined by the UUID: the first and second subdirectories are given by the first and second two characters, respectively. +The remaining characters of the UUID form the name of the final subdirectory. +For example, given the UUID ``4802585e-18da-42e1-b063-7504585ea9af``, the relative path of the subdirectory would be ``48/02/585e-18da-42e1-b063-7504585ea9af``. +With this structure, the file repository would contain at most 256 directories, ``00`` through ``ff``, with the same applying to each one of those. +Starting from the third level, however, the file hierarchy would once again be flat. +A schematic overview of the resulting file hierarcy is shown in :numref:`fig:internal-architecture:repository:design-original`. + +.. _fig:internal-architecture:repository:design-original: +.. figure:: include/images/repository/schematic_design_original.png + :align: center + :width: 550px + + Schematic representation of the original structure of the file repository. + The files of each node are stored in a directory that is exclusive to that node, whose path is determined by the UUID of the node. + The directory is sharded twice, using two consecutive characters of the start of the UUID to create two levels of subdirectories. + This is done to limit the number of directories in any one level in order to make the looking up of a directory for a given node more efficient. + + +Limitations +----------- + +While a simple and robust design, the original architecture of the file repository had various limitations, many of which would start to play a significant role for larger project that contain many files. +The main limitation of the original design is that all files were stored as is, which eventually leads to a large number of files stored in a large number of subdirectories. +On a file system, each file or directory requires an *inode*, which is label that the file system to be able to map the filepath to the actual location on disk. +The number of available inodes on a file system are limited, and certain AiiDA projects were hitting these limits, making it impossible to write more files to disk, even though there might have been plenty of raw storage space left. + +In addition, backing up a file repository with the original design was practically impossible. +Due to the sheer number of files, even just determining the difference between the original and backup of a repository, for example using `rsync `_ could take days. +And that is just computing the difference, let alone the time it would take to perform the actual backup. + +However, it wasn't merely the number of files that was problematic, but even the number of directories that typical repositories would contain, would already significantly slow down backup operations. +Since the database kept no reference of which files and directories were stored in the file repository for any given node, the original design would always create a subdirectory in the file repository for any node, even if it contained no files whatsoever. +Otherwise, it would have been impossible to know whether a node *really* did not contain any files, or if the directory in the file repository was accidentally mistaken. +This approach did, however, lead to a large number of empty directories, as many nodes often contain no files at all, for example, base type data nodes. + + +The current design +****************** + +With scalability being the biggest limitation of the original design of the file repository, this was the focus point of the new solution. +However, being able to scale is not the only requirement that a successful implementation would have to satisfy. + +.. _internal-architecture:repository:current-design:requirements: + +Requirements +------------ + +The following requirements were considered during the design of the current file repository implementation: + + * Scalability: the repository should be able to store millions of files, all the while permitting efficient backups. + * Heterogeneity: the repository should operate efficiently for data that is hetereogenous in size, with object of size ranging from a few bytes to multiple gigabytes. + * Simplicity: the solution should not require an actively running server to operate. + * Concurrency: the repository should support multiple concurrent reading and writing processes. + * Efficiency: the repository should automatically deduplicate file content in an effort to reduce the total amount of required storage space. + +These are merely the requirements for the data store that persists the content of the files, or the *backend* file repository. +The frontend interface that is employed by users to store files has another set of requirements altogether. +Users are used to think about file storage in terms of a file hierarchy, as they would on a normal file system, where files are stored in (nested) directories. +Moreover, in the context of AiiDA, a node is expected to have their own subset of files with their own hierarchy, an example of which is shown in :numref:`fig:internal-architecture:repository:design-node-repository`. +The frontend interface therefore needs to allows users to store and address files with such a hierarchy on a per node basis, even if only virtually. +With that guarantee, the backend implementation is free to store the files in any way imaginable in order to meet the requirements specified above. + +.. _fig:internal-architecture:repository:design-node-repository: +.. figure:: include/images/repository/schematic_design_node_repo.png + :align: center + :width: 450px + + Schematic representation of a possible virtual file hierarchy of a node in the provenance graph. + From a user's perspective, each node can contain an arbitrary number of files and directories with a certain file hierarchy. + The hierarchy is completely virtual, however, in the sense that the hierarchy is not necessarily maintained literally in the data store containing the file content. + +To satisfy the requirements of the frontend interface and the actual data store at the same time, the file repository solution in AiiDA is divided into two components: a *backend* and a *frontend*. +In the following, the current backend implementation, the disk object store, is described. + + +The disk object store +--------------------- + +The disk object store was designed from scratch in order to satisfy the technical requirements of the file repository described in the previous section. +The concept is simple: the file repository is represented by a *container* which is a directory on the local file system and contains all the file content. +When a file is written to the container, it is first written to the *scratch* directory. +Once this operation has finished successfully, the file is moved atomically to the *loose* directory. +It is called *loose* because each file in this directory is stored as an individual or *loose* object. +The name of the object is given by the hash computed from its content, currently using the `sha256 algorithm `_. +The *loose* directory applies one level of sharding based on the first two characters of the object hashes, in order to make the lookup of objects more performant as described in :ref:`internal-architecture:repository:original-design`. +A schematic overview of the folder structure of a disk object store *container* is shown in :numref:`fig:internal-architecture:repository:design-dos`. + +.. _fig:internal-architecture:repository:design-dos: +.. figure:: include/images/repository/schematic_design_dos.png + :align: center + :width: 550px + + Schematic representation of the file hierarchy in a *container* of the `disk object store `_ package. + When writing files to the container, they are first written to a *scratch* sandbox folder and then moved atomically to the *loose* directory. + During maintenance operations, *loose* files can be concatenated to pack files that are stored in the *packed* directory. + +The approach of creating new files in the repository by first writing them to the scratch sandbox folder before atomically moving them to the *loose* object directory, directly addresses the requirement of *concurrency*. +By relying on the *atomic* file move operation of the operating system, all *loose* objects are guaranteed to be protected from data corruptions, within the limits of the atomicity guarantess of the local file system. +The usage of the file content's hash checksum as the filename automatically fulfills the *efficiency* requirement. +Assuming that the hashing algorithm used has no collisions, two objects with the same hash are guaranteed to have the same content and so therefore can be stored as a single object. +Although the computation of a file's hash before storing it incurs a non-negligible overhead, the chosen hashing algorithm is fast enough that it justifies that cost given that it gives a significant reduction in required storage space due to the automatic and implicit data deduplication. + +While the approach of the *scratch* and *loose* directories address the criteria of *concurrency* and *efficiency*, the solution is not *scalable*. +Just as the :ref:`original design `, this solution does not scale to file repositories of multiple millions of nodes, since every object is stored as an individual file on disk. +As described before, this makes the repository impractical to backup since merely constructing the list of files present is an expensive operation. +To tackle this problem, the disk object store implements the concept of packing. +In this maintenance operation, the contents of all loose objects stored in the *loose* directory are concatenated into single files that are stored in the *packed* folder. +The pack files have a configurable maximum size and once it is reached the next pack file is created, whose filenames are named by consecutive integers. + +A `sqlite `_ database is used to track in which pack file each object is stored, the byte offset at which it starts and its total byte length. +Such an index file is necessary once individual objects are packed into a smaller number of files, and to respect the *simplicity* requirement, a sqlite database was chosen, since it is serverless and efficient. +The loose objects are concatenated in a random order, which is to say that the disk object store undertakes no effort to order objects according to their content size in any way, such as to align them with blocks on the file system, unlike some other key-value store solutions. +Files of any size are treated equally and as such there is no optimization towards storing smaller files nor larger files. +This is done intentionally because the disk object store is expected to be able to store files that are strongly hetereogenous in size and as such can not make optimizations for a particular range of file sizes. + +Currently, the packing operation is seen as a maintenance operation, and therefore, unlike the writing of new *loose* objects, cannot be operated concurrently by multiple processes. +Despite this current limitation, the packing mechanism satisfies the final *scalability* requirement. +By reducing the total number of files and the packing strategy, the pack files can be copied to a backup copy very efficiently. +Since new objects are concatenated to the end of existing pack files and existing pack files are in principle never touched after they have reached their maximum size (unless the pack files are forcefully repacked), backup up tools, such as `rsync `_, can reduce the transfer of content to the bare minimum. + + +.. _internal-architecture:repository:current-design:repository-backend: + +The file repository backend +--------------------------- + +To be able to respect the divergent requirements (as layed out in :ref:`internal-architecture:repository:current-design:requirements`) of the file repository regarding itse user interface and the actual data store, the implementation is divided into a backend and frontend interface. +In a clear separation of responsibilities, the backend is solely tasked with storing the content of files and returning them upon request as efficiently as possible, both when retrieving files individuall as well as in bulk. +For simplicity, the repository backend only deals with raw byte streams and does not maintain any sort of file hierarchy. +The interface that any backend file repository should implement is defined by the :class:`~aiida.repository.backend.abstract.AbstractRepositoryBackend` abstract class. + +.. literalinclude:: ../../../aiida/repository/backend/abstract.py + :language: python + :pyobject: AbstractRepositoryBackend + +The :meth:`~aiida.repository.backend.abstract.AbstractRepositoryBackend.put_object_from_filelike` is the main method that, given a stream or filelike-object of bytes, will write it as an object to the repository and return a key. +The :meth:`~aiida.repository.backend.abstract.AbstractRepositoryBackend.put_object_from_file` is a convenience method that allows to store a file object directly from a file on the local file system, and simply calls through to :meth:`~aiida.repository.backend.abstract.AbstractRepositoryBackend.put_object_from_filelike`. +The key returned by the *put*-methods, which could be any type of string, should uniquely identifiy the stored object. +Using the key, :meth:`~aiida.repository.backend.abstract.AbstractRepositoryBackend.open` and :meth:`~aiida.repository.backend.abstract.AbstractRepositoryBackend.get_object_content` can be used to obtain a handle to the object or its entire content read into memory, respectively. +Finally, the :meth:`~aiida.repository.backend.abstract.AbstractRepositoryBackend.has_object` and :meth:`~aiida.repository.backend.abstract.AbstractRepositoryBackend.delete_object` can be used to determine whether the repository contains an object with a certain key, or delete it, respectively. + +The abstract repository backend interface is implemented for the `disk object store`_ (:class:`~aiida.repository.backend.disk_object_store.DiskObjectStoreRepositoryBackend`) as well as a scratch sandbox (:class:`~aiida.repository.backend.sandbox.SandboxRepositoryBackend`). +The latter implementation simply implements the interface using a temporary scratch folder on the local file system to store the file content. +File objects are stored in a flat manner where the filename, that functions as the unique key, is based on a randomly generated UUID, as shown in :numref:`fig:internal-architecture:repository:design-sandbox`. + +.. _fig:internal-architecture:repository:design-sandbox: +.. figure:: include/images/repository/schematic_design_sandbox.png + :align: center + :width: 550px + + The file structure created by the :class:`~aiida.repository.backend.sandbox.SandboxRepositoryBackend` implementation of the file repository backend. + Files are stored in a completely flat structure with the name determined by a randomly generated UUID. + This is the most efficient method for writing and reading files on a local file system. + Since these sandbox repositories are intended to have very short lifetimes and contain relatively few objects, the typical drawbacks of a flat file store do not apply. + +The simple flat structure of this sandbox implementation should not be a limitation since this backend should only be used for short-lived temporary file repositories. +The use case is to provide a file repository for unstored nodes. +New node instances that created in interactive shell sessions are often discarded before being stored, so it is important that not only the creation of new files, but also their deletion once the node is deleted, is as efficient as possible. +The disk object store is not optimized for efficient ad-hoc object deletion, but rather, object deletion is implemented as a soft-delete and the actual deletion should be peformed during maintenance operations, such as the packing of loose objects. +That is why a new node instance upon instantiation gets an instance of the class:`~aiida.repository.backend.sandbox.SandboxRepositoryBackend` repository. +Only when the node gets stored, are the files copied to the permanent :class:`~aiida.repository.backend.disk_object_store.DiskObjectStoreRepositoryBackend` file repository. + + +.. _internal-architecture:repository:current-design:repository-front: + +The file repository frontend +---------------------------- + +To understand how the file repository frontend integrates the ORM and the file repository backend, consider the following class diagram: + +.. _fig:internal-architecture:repository:class-hierarchy: +.. figure:: include/images/repository/schematic_design_class_hierarchy.png + :align: center + :width: 550px + + The file repository backend is interfaced through the :class:`~aiida.repository.repository.Repository` class. + It maintains a reference of an instance of one of the available file repository backend implementations, be it the sandbox or disk object store variant, to store file objects and to retrieve the content for stored objects. + Internally, it keeps a virtual file hierarchy, which allows clients to address files by their path in the file hierarchy as opposed to have the unique key identifiers created by the backend. + Finally, the :class:`~aiida.orm.nodes.node.Node` class, which is the main point of interaction of users with the entire API, mixes in the :class:`~aiida.orm.nodes.repository.NodeRepositoryMixin` class. + The latter keeps an instance of the :class:`~aiida.repository.repository.Repository` class to which all repository operations are forwarded, after the check of node mutability is performed. + +As opposed to the backend interface, the frontend :class:`~aiida.repository.repository.Repository` *does* understand the concept of a file hierarchy and keeps it fully in memory. +This allows clients to interact with this interface as if the files were stored with the indicated hierarchy and address them by their relative filepaths, as opposed to the unique string identifiers that are generated by the backend. +It is important to note, however, that this virtual hierarchy is not initialized based on the actual contents of the file repository backend. +In fact it *cannot* be, because the backend has no notion of a file hierarchy and so cannot provide its hierarchy to the :class:`~aiida.repository.repository.Repository` when it is constructed. +This means that the :class:`~aiida.repository.repository.Repository` only exposes a *subset* of the files that are contained within a file repository backend. + +To persist the virtual hierarchy of the files stored for any particular node, it is stored in the database. +The node database model has a JSONB column called ``repository_metadata`` that contains the virtual file hierarchy in a serialized form. +This serialized form is generated by the :meth:`~aiida.repository.repository.Repository.serialize` method, and the :meth:`~aiida.repository.repository.Repository.from_serialized` classmethod can be used to reconstruct a repository instance with a pre-existing file hierarchy. +Note that upon constructing from a serialized file hierarchy, the :class:`~aiida.repository.repository.Repository` will not actually validate that the file objects contained within the hierarchy are *actually* contained in the backend. + +The final integration of the :class:`~aiida.repository.repository.Repository` class with the ORM is through the :class:`~aiida.orm.nodes.repository.NodeRepositoryMixin` class, which is mixed into the :class:`~aiida.orm.nodes.node.Node` class. +This layer serves a couple of functions: + + * It implements the mutability rules of nodes + * It serves as a translation layer between string and byte streams. + +The first is necessary because after a node has been stored, its content is considered immutable, which includes the content of its file repository. +The :class:`~aiida.orm.utils.mixins.Sealable` mixin overrides the :class:`~aiida.repository.repository.Repository` methods that mutate repository content, to ensure that process nodes *can* mutate their content, as long as they are not sealed. + +The second *raison-d'être* of the :class:`~aiida.orm.nodes.repository.NodeRepositoryMixin` is to allow clients to work with string streams instead of byte streams. +As explained in the section on the :ref:`file repository backend `, it only works with byte streams. +However, users of the frontend API are often more used to working with strings and files with a given encoding. +The :class:`~aiida.orm.nodes.repository.NodeRepositoryMixin` overrides the *put*-methods and accepts string streams, and enables returning file handles to existing file objects that automatically decode the byte content. +The only additional requirement for operating with strings instead of bytes is that the client specifies the encoding. +Since the file repository backend does not store any sort of metadata, it is impossible to deduce the file encoding and automatically decode it. +Likewise, using the default file encoding of the system may yield the wrong result since the file could have been imported and actually have been originally written on another system with a different encoding. +Encoding and decoding of file objects is therefore the responsibility of the frontend user. + +The lifetime of a node +---------------------- + +Now that all the compontents are described, here we describe how they are employed throughout the lifetime of a node. +When a new node instance is constructed, it will not yet have an instance of the :class:`~aiida.repository.repository.Repository`. +Instead, this is done lazily as soon as an operation on the file repository is executed. +This is crucial for performance since node instances may often be initialized without their repository contents ever needing to be accesssed and constructing the repository interface instances will have a non-negligible overhead. +If the node is unstored the :class:`~aiida.repository.repository.Repository` will be constructed with an instance of the :class:`~aiida.repository.backend.sandbox.SandboxRepositoryBackend` implementation. +The advantage is that if the node object does out of scope before it has been stored, the contents that may have been created in the repository will be automatically cleaned from the local file system. + +When a node gets stored, :class:`~aiida.repository.repository.Repository` instance is replaced with a new instance, this time with the backend set to the :class:`~aiida.repository.backend.disk_object_store.DiskObjectStoreRepositoryBackend` that is initialized to point to the *container* of the current profile. +The contents of the sandbox repository are copied over to the disk object store through the :class:`~aiida.repository.repository.Repository` interface and at the end its contents are serialized. +The serialized file hierarchy is then stored on the node itself in the ``repository_metadata`` column. +This allows to reconstruct the :class:`~aiida.repository.repository.Repository` instance correctly once the node is reloaded from the database, by calling the :meth:`~aiida.repository.repository.Repository.from_serialized` classmethod while passing the stored ``repository_metadata``. From 2d4ae66f3c762a828fea2fc0dad2831b4519e609 Mon Sep 17 00:00:00 2001 From: Sebastiaan Huber Date: Sat, 3 Oct 2020 21:55:02 +0200 Subject: [PATCH 08/13] `Repository`: allow `File` class to be changed --- aiida/backends/general/migrations/utils.py | 2 +- aiida/repository/repository.py | 14 +++++++++----- 2 files changed, 10 insertions(+), 6 deletions(-) diff --git a/aiida/backends/general/migrations/utils.py b/aiida/backends/general/migrations/utils.py index d82488cf51..3431d51d4d 100644 --- a/aiida/backends/general/migrations/utils.py +++ b/aiida/backends/general/migrations/utils.py @@ -228,7 +228,7 @@ def deduplicate_uuids(table=None): uuid_new = str(get_new_uuid()) mapping_new_uuid[pk] = uuid_new - messages.append('updated UUID of {} row<{}> from {} to {}'.format(table, pk, uuid_ref, uuid_new)) + messages.append(f'updated UUID of {table} row<{pk}> from {uuid_ref} to {uuid_new}') dirpath_repo_ref = get_node_repository_sub_folder(uuid_ref) dirpath_repo_new = get_node_repository_sub_folder(uuid_new) diff --git a/aiida/repository/repository.py b/aiida/repository/repository.py index de99698e8d..be0b2cbb1b 100644 --- a/aiida/repository/repository.py +++ b/aiida/repository/repository.py @@ -33,6 +33,7 @@ class keeps a reference of the virtual file hierarchy. This means that through t # pylint: disable=too-many-public-methods _backend = None + _file_cls = File def __init__(self, backend: AbstractRepositoryBackend = None): """Construct a new instance with empty metadata. @@ -44,7 +45,7 @@ def __init__(self, backend: AbstractRepositoryBackend = None): backend = SandboxRepositoryBackend() self.set_backend(backend) - self._directory = File() + self.reset() @classmethod def from_serialized(cls, backend: AbstractRepositoryBackend, serialized: typing.Dict) -> 'Repository': @@ -57,10 +58,13 @@ def from_serialized(cls, backend: AbstractRepositoryBackend, serialized: typing. if serialized: for name, obj in serialized['o'].items(): - instance.get_directory().objects[name] = File.from_serialized(obj, name) + instance.get_directory().objects[name] = cls._file_cls.from_serialized(obj, name) return instance + def reset(self): + self._directory = self._file_cls() + def serialize(self) -> typing.Dict: """Serialize the metadata into a JSON-serializable format. @@ -138,7 +142,7 @@ def _insert_file(self, path: pathlib.Path, key: str): else: directory = self.get_directory - directory.objects[path.name] = File(path.name, FileType.FILE, key) + directory.objects[path.name] = self._file_cls(path.name, FileType.FILE, key) def create_directory(self, path: FilePath) -> File: """Create a new directory with the given path. @@ -155,7 +159,7 @@ def create_directory(self, path: FilePath) -> File: for part in path.parts: if part not in directory.objects: - directory.objects[part] = File(part) + directory.objects[part] = self._file_cls(part) directory = directory.objects[part] @@ -402,7 +406,7 @@ def erase(self): """ for hash_key in self.get_hash_keys(): self.backend.delete_object(hash_key) - self._directory = File() + self.reset() def clone(self, source: 'Repository'): """Clone the contents of another repository instance.""" From a3930ffaddb5e94caac02ecd3993ce8c5b5d00f8 Mon Sep 17 00:00:00 2001 From: Sebastiaan Huber Date: Thu, 1 Oct 2020 15:44:05 +0200 Subject: [PATCH 09/13] Add migrations for existing file repositories The migration of an existing legacy file repository consists of: 1. Make inventory of all files in the current file repository 2. Write these files to the new backend (disk object store) 3. Store the metadata of a node's repository contents, containing the virtual hierarchy to the corresponding `repository_metadata` column in the database. The repository metadata will contain a hashkey for each file that was written to the disk object store, which was generated by the latter and that can be used to retrieve the content of the file. The migration is performed in a single database migration, meaning that everything is executed in a single transaction. Either the entire migration succeeds or in case of an error, it is a no-op. This why the migration will not delete the legacy file repository in the same migration. The advantage of this approach is that now there is no risk of data loss and/or corruption. If the migration fails, all original data will be in tact. The downside, however, is that the content of the file repository is more or less duplicated. This means that the migration will require a potentially significant amount of disk space that is at worst equal to the size of the existing file repository. This should be the upper limit since the disk object store will both deduplicate as well as compress the content that is written. --- .../db/migrations/0047_migrate_repository.py | 117 +++++++ .../backends/djsite/db/migrations/__init__.py | 2 +- aiida/backends/general/migrations/utils.py | 305 +++++++++++++++++- .../1feaea71bd5a_migrate_repository.py | 99 ++++++ aiida/cmdline/commands/cmd_database.py | 4 +- aiida/common/exceptions.py | 6 +- aiida/manage/configuration/__init__.py | 8 +- aiida/manage/configuration/profile.py | 27 +- ...test_migrations_0047_migrate_repository.py | 79 +++++ .../aiida_sqlalchemy/test_migrations.py | 107 +++++- 10 files changed, 718 insertions(+), 36 deletions(-) create mode 100644 aiida/backends/djsite/db/migrations/0047_migrate_repository.py create mode 100644 aiida/backends/sqlalchemy/migrations/versions/1feaea71bd5a_migrate_repository.py create mode 100644 tests/backends/aiida_django/migrations/test_migrations_0047_migrate_repository.py diff --git a/aiida/backends/djsite/db/migrations/0047_migrate_repository.py b/aiida/backends/djsite/db/migrations/0047_migrate_repository.py new file mode 100644 index 0000000000..1a240cb60b --- /dev/null +++ b/aiida/backends/djsite/db/migrations/0047_migrate_repository.py @@ -0,0 +1,117 @@ +# -*- 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 # +########################################################################### +# pylint: disable=invalid-name,too-few-public-methods +"""Migrate the file repository to the new disk object store based implementation.""" +# pylint: disable=no-name-in-module,import-error +from django.core.exceptions import ObjectDoesNotExist +from django.db import migrations + +from aiida.backends.djsite.db.migrations import upgrade_schema_version +from aiida.backends.general.migrations import utils +from aiida.cmdline.utils import echo + +REVISION = '1.0.47' +DOWN_REVISION = '1.0.46' + + +def migrate_repository(apps, _): + """Migrate the repository.""" + # pylint: disable=too-many-locals + import json + from tempfile import NamedTemporaryFile + from aiida.common.progress_reporter import set_progress_bar_tqdm, get_progress_reporter + from aiida.manage.configuration import get_profile + + DbNode = apps.get_model('db', 'DbNode') + + profile = get_profile() + node_count = DbNode.objects.count() + missing_node_uuids = [] + missing_repo_folder = [] + shard_count = 256 + + set_progress_bar_tqdm() + + with get_progress_reporter()(total=shard_count, desc='Migrating file repository') as progress: + for i in range(shard_count): + + shard = '%.2x' % i # noqa flynt + progress.set_description_str(f'Migrating file repository: shard {shard}') + + mapping_node_repository_metadata, missing_sub_repo_folder = utils.migrate_legacy_repository( + node_count, shard + ) + + if missing_sub_repo_folder: + missing_repo_folder.extend(missing_sub_repo_folder) + del missing_sub_repo_folder + + if mapping_node_repository_metadata is None: + continue + + for node_uuid, repository_metadata in mapping_node_repository_metadata.items(): + + # If `repository_metadata` is `{}` or `None`, we skip it, as we can leave the column default `null`. + if not repository_metadata: + continue + + try: + # This can happen if the node was deleted but the repo folder wasn't, or the repo folder just never + # corresponded to an actual node. In any case, we don't want to fail but just log the warning. + node = DbNode.objects.get(uuid=node_uuid) + except ObjectDoesNotExist: + missing_node_uuids.append((node_uuid, repository_metadata)) + else: + node.repository_metadata = repository_metadata + node.save() + + del mapping_node_repository_metadata + progress.update() + + if not profile.is_test_profile: + + if missing_node_uuids: + prefix = 'migration-repository-missing-nodes-' + with NamedTemporaryFile(prefix=prefix, suffix='.json', dir='.', mode='w+', delete=False) as handle: + json.dump(missing_node_uuids, handle) + echo.echo_warning( + '\nDetected node repository folders for nodes that do not exist in the database. The UUIDs of ' + f'those nodes have been written to a log file: {handle.name}' + ) + + if missing_repo_folder: + prefix = 'migration-repository-missing-subfolder-' + with NamedTemporaryFile(prefix=prefix, suffix='.json', dir='.', mode='w+', delete=False) as handle: + json.dump(missing_repo_folder, handle) + echo.echo_warning( + '\nDetected repository folders that were missing the required subfolder `path` or `raw_input`.' + f' The paths of those nodes repository folders have been written to a log file: {handle.name}' + ) + + # If there were no nodes, most likely a new profile, there is not need to print the warning + if node_count: + import pathlib + echo.echo_warning( + '\nMigrated file repository to the new disk object store. The old repository has not been deleted ' + f'out of safety and can be found at {pathlib.Path(profile.repository_path, "repository")}.' + ) + + +class Migration(migrations.Migration): + """Migrate the file repository to the new disk object store based implementation.""" + + dependencies = [ + ('db', '0046_add_node_repository_metadata'), + ] + + operations = [ + migrations.RunPython(migrate_repository, reverse_code=migrations.RunPython.noop), + upgrade_schema_version(REVISION, DOWN_REVISION), + ] diff --git a/aiida/backends/djsite/db/migrations/__init__.py b/aiida/backends/djsite/db/migrations/__init__.py index f89c9975a9..c9bf861176 100644 --- a/aiida/backends/djsite/db/migrations/__init__.py +++ b/aiida/backends/djsite/db/migrations/__init__.py @@ -21,7 +21,7 @@ class DeserializationException(AiidaException): pass -LATEST_MIGRATION = '0046_add_node_repository_metadata' +LATEST_MIGRATION = '0047_migrate_repository' def _update_schema_version(version, apps, _): diff --git a/aiida/backends/general/migrations/utils.py b/aiida/backends/general/migrations/utils.py index 3431d51d4d..1a10788c3e 100644 --- a/aiida/backends/general/migrations/utils.py +++ b/aiida/backends/general/migrations/utils.py @@ -10,15 +10,287 @@ # pylint: disable=invalid-name """Various utils that should be used during migrations and migrations tests because the AiiDA ORM cannot be used.""" import datetime -import errno +import functools +import io import os +import pathlib import re +import typing import numpy +from disk_objectstore import Container +from disk_objectstore.utils import LazyOpener -from aiida.common import json +from aiida.common import exceptions, json +from aiida.repository.backend import AbstractRepositoryBackend +from aiida.repository.common import File, FileType +from aiida.repository.repository import Repository ISOFORMAT_DATETIME_REGEX = re.compile(r'^\d{4}-\d{2}-\d{2}T\d{2}:\d{2}:\d{2}\.\d+(\+\d{2}:\d{2})?$') +REGEX_SHARD_SUB_LEVEL = re.compile(r'^[0-9a-f]{2}$') +REGEX_SHARD_FINAL_LEVEL = re.compile(r'^[0-9a-f-]{32}$') + + +class LazyFile(File): + """Subclass of `File` where `key` also allows `LazyOpener` in addition to a string. + + This subclass is necessary because the migration will be storing instances of `LazyOpener` as the `key` which should + normally only be a string. This subclass updates the `key` type check to allow this. + """ + + def __init__( + self, + name: str = '', + file_type: FileType = FileType.DIRECTORY, + key: typing.Union[str, None, LazyOpener] = None, + objects: typing.Dict[str, 'File'] = None + ): + # pylint: disable=super-init-not-called + if not isinstance(name, str): + raise TypeError('name should be a string.') + + if not isinstance(file_type, FileType): + raise TypeError('file_type should be an instance of `FileType`.') + + if key is not None and not isinstance(key, (str, LazyOpener)): + raise TypeError('key should be `None` or a string.') + + if objects is not None and any([not isinstance(obj, self.__class__) for obj in objects.values()]): + raise TypeError('objects should be `None` or a dictionary of `File` instances.') + + if file_type == FileType.DIRECTORY and key is not None: + raise ValueError('an object of type `FileType.DIRECTORY` cannot define a key.') + + if file_type == FileType.FILE and objects is not None: + raise ValueError('an object of type `FileType.FILE` cannot define any objects.') + + self._name = name + self._file_type = file_type + self._key = key + self._objects = objects or {} + + +class MigrationRepository(Repository): + """Subclass of `Repository` that uses `LazyFile` instead of `File` as its file class.""" + + _file_cls = LazyFile + + +class NoopRepositoryBackend(AbstractRepositoryBackend): + """Implementation of the ``AbstractRepositoryBackend`` where all write operations are no-ops. + + This repository backend is used to use the ``Repository`` interface to build repository metadata but instead of + actually writing the content of the current repository to disk elsewhere, it will simply open a lazy file opener. + In a subsequent step, all these streams are passed to the new Disk Object Store that will write their content + directly to pack files for optimal efficiency. + """ + + def put_object_from_filelike(self, handle: io.BufferedIOBase) -> str: + """Store the byte contents of a file in the repository. + + :param handle: filelike object with the byte content to be stored. + :return: the generated fully qualified identifier for the object within the repository. + :raises TypeError: if the handle is not a byte stream. + """ + return LazyOpener(handle.name) + + def has_object(self, key: str) -> bool: + """Return whether the repository has an object with the given key. + + :param key: fully qualified identifier for the object within the repository. + :return: True if the object exists, False otherwise. + """ + raise NotImplementedError() + + +def migrate_legacy_repository(node_count, shard=None): + """Migrate the legacy file repository to the new disk object store and return mapping of repository metadata. + + The format of the return value will be a dictionary where the keys are the UUIDs of the nodes whose repository + folder has contents have been migrated to the disk object store. The values are the repository metadata that contain + the keys for the generated files with which the files in the disk object store can be retrieved. The format of the + repository metadata follows exactly that of what is generated normally by the ORM. + + This implementation consciously uses the ``Repository`` interface in order to not have to rewrite the logic that + builds the nested repository metadata based on the contents of a folder on disk. The advantage is that in this way + it is guarantee that the exact same repository metadata is generated as it would have during normal operation. + However, if the ``Repository`` interface or its implementation ever changes, it is possible that this solution will + have to be adapted and the significant parts of the implementation will have to be copy pasted here. + + :return: mapping of node UUIDs onto the new repository metadata. + :raises `~aiida.common.exceptions.DatabaseMigrationError`: in case the container of the migrated repository already + exists or if the repository does not exist but the database contains at least one node. + """ + # pylint: disable=too-many-locals + from aiida.manage.configuration import get_profile + + profile = get_profile() + backend = NoopRepositoryBackend() + repository = MigrationRepository(backend=backend) + + # Initialize the new container: don't go through the profile, because that will not check if it already exists + filepath = pathlib.Path(profile.repository_path) / 'container' + basepath = pathlib.Path(profile.repository_path) / 'repository' / 'node' + container = Container(filepath) + + if not basepath.is_dir(): + # If the database is empty, this is a new profile and so it is normal the repo folder doesn't exist. We simply + # return as there is nothing to migrate + if profile.is_test_profile or node_count == 0: + return None, None + + raise exceptions.DatabaseMigrationError( + f'the file repository `{basepath}` does not exist but the database is not empty, it contains {node_count} ' + 'nodes. Aborting the migration.' + ) + + # When calling this function multiple times, once for each shard, we should only check whether the container has + # already been initialized for the first shard. + if shard is None or shard == '00': + if container.is_initialised and not profile.is_test_profile: + raise exceptions.DatabaseMigrationError( + f'the container {filepath} already exists. If you ran this migration before and it failed simply ' + 'delete this directory and restart the migration.' + ) + + container.init_container(clear=True, **profile.defaults['repository']) + + node_repository_dirpaths, missing_sub_repo_folder = get_node_repository_dirpaths(basepath, shard) + + filepaths = [] + streams = [] + mapping_metadata = {} + + # Loop over all the folders for each node that was found in the existing file repository and generate the repository + # metadata that will have to be stored on the node. Calling `put_object_from_tree` will generate the virtual + # hierarchy in memory, writing the files not actually to disk but opening lazy file handles, and then the call to + # `serialize_repository` serializes the virtual hierarchy into JSON storable dictionary. This will later be stored + # on the nodes in the database, and so it is added to the `mapping_metadata` which will be returned from this + # function. After having constructed the virtual hierarchy, we walk over the contents and take just the files and + # add the value (which is the `LazyOpener`) to the `streams` list as well as its relative path to `filepaths`. + for node_uuid, node_dirpath in node_repository_dirpaths.items(): + repository.put_object_from_tree(node_dirpath) + metadata = serialize_repository(repository) + mapping_metadata[node_uuid] = metadata + for root, _, filenames in repository.walk(): + for filename in filenames: + parts = list(pathlib.Path(root / filename).parts) + filepaths.append((node_uuid, parts)) + streams.append(functools.reduce(lambda objects, part: objects['o'].get(part), parts, metadata)['k']) + + # Reset the repository to a clean node repository, which removes the internal virtual file hierarchy + repository.reset() + + # Free up the memory of this mapping that is no longer needed and can be big + del node_repository_dirpaths + + hashkeys = container.add_streamed_objects_to_pack(streams, compress=False, open_streams=True) + + # Now all that remains is to go through all the generated repository metadata, stored for each node in the + # `mapping_metadata` and replace the "values" for all the files, which are currently still the `LazyOpener` + # instances, and replace them with the hashkey that was generated from its content by the DOS container. + for hashkey, (node_uuid, parts) in zip(hashkeys, filepaths): + repository_metadata = mapping_metadata[node_uuid] + functools.reduce(lambda objects, part: objects['o'].get(part), parts, repository_metadata)['k'] = hashkey + + del filepaths + del streams + + return mapping_metadata, missing_sub_repo_folder + + +def get_node_repository_dirpaths(basepath, shard=None): + """Return a mapping of node UUIDs onto the path to their current repository folder in the old repository. + + :param basepath: the absolute path of the base folder of the old file repository. + :param shard: optional shard to define which first shard level to check. If `None`, all shard levels are checked. + :return: dictionary of node UUID onto absolute filepath and list of node repo missing one of the two known sub + folders, ``path`` or ``raw_input``, which is unexpected. + :raises `~aiida.common.exceptions.DatabaseMigrationError`: if the repository contains node folders that contain both + the `path` and `raw_input` subdirectories, which should never happen. + """ + # pylint: disable=too-many-branches + from aiida.manage.configuration import get_profile + + profile = get_profile() + mapping = {} + missing_sub_repo_folder = [] + contains_both = [] + + if shard is not None: + + # If the shard is not present in the basepath, there is nothing to do + if shard not in os.listdir(basepath): + return mapping, missing_sub_repo_folder + + shards = [pathlib.Path(basepath) / shard] + else: + shards = basepath.iterdir() + + for shard_one in shards: + + if not REGEX_SHARD_SUB_LEVEL.match(shard_one.name): + continue + + for shard_two in shard_one.iterdir(): + + if not REGEX_SHARD_SUB_LEVEL.match(shard_two.name): + continue + + for shard_three in shard_two.iterdir(): + + if not REGEX_SHARD_FINAL_LEVEL.match(shard_three.name): + continue + + uuid = shard_one.name + shard_two.name + shard_three.name + dirpath = basepath / shard_one / shard_two / shard_three + subdirs = [path.name for path in dirpath.iterdir()] + + path = None + + if 'path' in subdirs and 'raw_input' in subdirs: + # If the `path` is empty, we simply ignore and set `raw_input` to be migrated, otherwise we add + # the entry to `contains_both` which will cause the migration to fail. + if os.listdir(dirpath / 'path'): + contains_both.append(str(dirpath)) + else: + path = dirpath / 'raw_input' + elif 'path' in subdirs: + path = dirpath / 'path' + elif 'raw_input' in subdirs: + path = dirpath / 'raw_input' + else: + missing_sub_repo_folder.append(str(dirpath)) + + if path is not None: + mapping[uuid] = path + + if contains_both and not profile.is_test_profile: + raise exceptions.DatabaseMigrationError( + f'The file repository `{basepath}` contained node repository folders that contained both the `path` as well' + ' as the `raw_input` subfolders. This should not have happened, as the latter is used for calculation job ' + 'nodes, and the former for all other nodes. The migration will be aborted and the paths of the offending ' + 'node folders will be printed below. If you know which of the subpaths is incorrect, you can manually ' + 'delete it and then restart the migration. Here is the list of offending node folders:\n' + + '\n'.join(contains_both) + ) + + return mapping, missing_sub_repo_folder + + +def serialize_repository(repository: Repository) -> dict: + """Serialize the metadata into a JSON-serializable format. + + .. note:: the serialization format is optimized to reduce the size in bytes. + + :return: dictionary with the content metadata. + """ + file_object = repository._directory # pylint: disable=protected-access + if file_object.file_type == FileType.DIRECTORY: + if file_object.objects: + return {'o': {key: obj.serialize() for key, obj in file_object.objects.items()}} + return {} + return {'k': file_object.key} def ensure_repository_folder_created(uuid): @@ -27,12 +299,7 @@ def ensure_repository_folder_created(uuid): :param uuid: UUID of the node """ dirpath = get_node_repository_sub_folder(uuid) - - try: - os.makedirs(dirpath) - except OSError as exception: - if exception.errno != errno.EEXIST: - raise + os.makedirs(dirpath, exist_ok=True) def put_object_from_string(uuid, name, content): @@ -43,7 +310,13 @@ def put_object_from_string(uuid, name, content): :param content: the content to write to the file """ ensure_repository_folder_created(uuid) - filepath = os.path.join(get_node_repository_sub_folder(uuid), name) + basepath = get_node_repository_sub_folder(uuid) + dirname = os.path.dirname(name) + + if dirname: + os.makedirs(os.path.join(basepath, dirname), exist_ok=True) + + filepath = os.path.join(basepath, name) with open(filepath, 'w', encoding='utf-8') as handle: handle.write(content) @@ -61,7 +334,7 @@ def get_object_from_repository(uuid, name): return handle.read() -def get_node_repository_sub_folder(uuid): +def get_node_repository_sub_folder(uuid, subfolder='path'): """Return the absolute path to the sub folder `path` within the repository of the node with the given UUID. :param uuid: UUID of the node @@ -72,7 +345,7 @@ def get_node_repository_sub_folder(uuid): uuid = str(uuid) repo_dirpath = os.path.join(get_profile().repository_path, 'repository') - node_dirpath = os.path.join(repo_dirpath, 'node', uuid[:2], uuid[2:4], uuid[4:], 'path') + node_dirpath = os.path.join(repo_dirpath, 'node', uuid[:2], uuid[2:4], uuid[4:], subfolder) return node_dirpath @@ -126,6 +399,15 @@ def load_numpy_array_from_repository(uuid, name): return numpy.load(filepath) +def get_repository_object(hashkey): + """Return the content of an object stored in the disk object store repository for the given hashkey.""" + from aiida.manage.configuration import get_profile + + dirpath_container = os.path.join(get_profile().repository_path, 'container') + container = Container(dirpath_container) + return container.get_object_content(hashkey) + + def recursive_datetime_to_isoformat(value): """Convert all datetime objects in the given value to string representations in ISO format. @@ -167,7 +449,6 @@ def verify_uuid_uniqueness(table): :raises: IntegrityError if table contains rows with duplicate UUIDS. """ - from aiida.common import exceptions duplicates = get_duplicate_uuids(table=table) if duplicates: diff --git a/aiida/backends/sqlalchemy/migrations/versions/1feaea71bd5a_migrate_repository.py b/aiida/backends/sqlalchemy/migrations/versions/1feaea71bd5a_migrate_repository.py new file mode 100644 index 0000000000..9d29b15c3a --- /dev/null +++ b/aiida/backends/sqlalchemy/migrations/versions/1feaea71bd5a_migrate_repository.py @@ -0,0 +1,99 @@ +# -*- coding: utf-8 -*- +# pylint: disable=invalid-name,no-member +"""Migrate the file repository to the new disk object store based implementation. + +Revision ID: 1feaea71bd5a +Revises: 7536a82b2cc4 +Create Date: 2020-10-01 15:05:49.271958 + +""" +from alembic import op +from sqlalchemy import Integer, cast +from sqlalchemy.dialects.postgresql import UUID, JSONB +from sqlalchemy.sql import table, column, select, func + +from aiida.backends.general.migrations import utils +from aiida.cmdline.utils import echo + +# revision identifiers, used by Alembic. +revision = '1feaea71bd5a' +down_revision = '7536a82b2cc4' +branch_labels = None +depends_on = None + + +def upgrade(): + """Migrations for the upgrade.""" + # pylint: disable=too-many-locals + import json + from tempfile import NamedTemporaryFile + from aiida.common.progress_reporter import set_progress_bar_tqdm, get_progress_reporter + from aiida.manage.configuration import get_profile + + connection = op.get_bind() + + DbNode = table( + 'db_dbnode', + column('id', Integer), + column('uuid', UUID), + column('repository_metadata', JSONB), + ) + + profile = get_profile() + node_count = connection.execute(select([func.count()]).select_from(DbNode)).scalar() + missing_repo_folder = [] + shard_count = 256 + + set_progress_bar_tqdm() + + with get_progress_reporter()(total=shard_count, desc='Migrating file repository') as progress: + for i in range(shard_count): + + shard = '%.2x' % i # noqa flynt + progress.set_description_str(f'Migrating file repository: shard {shard}') + + mapping_node_repository_metadata, missing_sub_repo_folder = utils.migrate_legacy_repository( + node_count, shard + ) + + if missing_sub_repo_folder: + missing_repo_folder.extend(missing_sub_repo_folder) + del missing_sub_repo_folder + + if mapping_node_repository_metadata is None: + continue + + for node_uuid, repository_metadata in mapping_node_repository_metadata.items(): + + # If `repository_metadata` is `{}` or `None`, we skip it, as we can leave the column default `null`. + if not repository_metadata: + continue + + value = cast(repository_metadata, JSONB) + connection.execute(DbNode.update().where(DbNode.c.uuid == node_uuid).values(repository_metadata=value)) + + del mapping_node_repository_metadata + progress.update() + + if not profile.is_test_profile: + + if missing_repo_folder: + prefix = 'migration-repository-missing-subfolder-' + with NamedTemporaryFile(prefix=prefix, suffix='.json', dir='.', mode='w+', delete=False) as handle: + json.dump(missing_repo_folder, handle) + echo.echo_warning( + 'Detected repository folders that were missing the required subfolder `path` or `raw_input`. ' + f'The paths of those nodes repository folders have been written to a log file: {handle.name}' + ) + + # If there were no nodes, most likely a new profile, there is not need to print the warning + if node_count: + import pathlib + echo.echo_warning( + 'Migrated file repository to the new disk object store. The old repository has not been deleted out' + f' of safety and can be found at {pathlib.Path(get_profile().repository_path, "repository")}.' + ) + + +def downgrade(): + """Migrations for the downgrade.""" diff --git a/aiida/cmdline/commands/cmd_database.py b/aiida/cmdline/commands/cmd_database.py index 6da318ea34..cd287af561 100644 --- a/aiida/cmdline/commands/cmd_database.py +++ b/aiida/cmdline/commands/cmd_database.py @@ -59,7 +59,7 @@ def database_migrate(force): if force: try: backend.migrate() - except exceptions.ConfigurationError as exception: + except (exceptions.ConfigurationError, exceptions.DatabaseMigrationError) as exception: echo.echo_critical(str(exception)) return @@ -88,7 +88,7 @@ def database_migrate(force): else: try: backend.migrate() - except exceptions.ConfigurationError as exception: + except (exceptions.ConfigurationError, exceptions.DatabaseMigrationError) as exception: echo.echo_critical(str(exception)) else: echo.echo_success('migration completed') diff --git a/aiida/common/exceptions.py b/aiida/common/exceptions.py index 72909d73e8..fbae709d02 100644 --- a/aiida/common/exceptions.py +++ b/aiida/common/exceptions.py @@ -17,7 +17,7 @@ 'PluginInternalError', 'ValidationError', 'ConfigurationError', 'ProfileConfigurationError', 'MissingConfigurationError', 'ConfigurationVersionError', 'IncompatibleDatabaseSchema', 'DbContentError', 'InputValidationError', 'FeatureNotAvailable', 'FeatureDisabled', 'LicensingException', 'TestsNotAllowedError', - 'UnsupportedSpeciesError', 'TransportTaskException', 'OutputParsingError', 'HashingError' + 'UnsupportedSpeciesError', 'TransportTaskException', 'OutputParsingError', 'HashingError', 'DatabaseMigrationError' ) @@ -186,6 +186,10 @@ class IncompatibleDatabaseSchema(ConfigurationError): """Raised when the database schema is incompatible with that of the code.""" +class DatabaseMigrationError(AiidaException): + """Raised if a critical error is encountered during a database migration.""" + + class DbContentError(AiidaException): """ Raised when the content of the DB is not valid. diff --git a/aiida/manage/configuration/__init__.py b/aiida/manage/configuration/__init__.py index 568fa9992e..ed5400f0b6 100644 --- a/aiida/manage/configuration/__init__.py +++ b/aiida/manage/configuration/__init__.py @@ -50,16 +50,12 @@ def load_profile(profile=None): if PROFILE and (profile is None or PROFILE.name is profile): return PROFILE - profile = get_config().get_profile(profile) + PROFILE = get_config().get_profile(profile) - if BACKEND_UUID is not None and BACKEND_UUID != profile.uuid: + if BACKEND_UUID is not None and BACKEND_UUID != PROFILE.uuid: # Once the switching of profiles with different backends becomes possible, the backend has to be reset properly raise InvalidOperation('cannot switch profile because backend of another profile is already loaded') - # Set the global variable and make sure the repository is configured - PROFILE = profile - PROFILE.configure_repository() - # Reconfigure the logging to make sure that profile specific logging configuration options are taken into account. # Note that we do not configure with `with_orm=True` because that will force the backend to be loaded. This should # instead be done lazily in `Manager._load_backend`. diff --git a/aiida/manage/configuration/profile.py b/aiida/manage/configuration/profile.py index d2c874ddbd..4dfb965d72 100644 --- a/aiida/manage/configuration/profile.py +++ b/aiida/manage/configuration/profile.py @@ -14,6 +14,7 @@ from disk_objectstore import Container from aiida.common import exceptions +from aiida.common.lang import classproperty from .options import parse_option from .settings import DAEMON_DIR, DAEMON_LOG_DIR @@ -76,6 +77,18 @@ class Profile: # pylint: disable=too-many-public-methods KEY_REPOSITORY_URI: 'repository_uri', } + @classproperty + def defaults(cls): # pylint: disable=no-self-use,no-self-argument + """Return the dictionary of default values for profile settings.""" + return { + 'repository': { + 'pack_size_target': 4 * 1024 * 1024 * 1024, + 'loose_prefix_len': 2, + 'hash_type': 'sha256', + 'compression_algorithm': 'zlib+1' + } + } + @classmethod def contains_unknown_keys(cls, dictionary): """Return whether the profile dictionary contains any unsupported keys. @@ -121,7 +134,7 @@ def get_repository_container(self) -> Container: container = Container(filepath) if not container.is_initialised: - container.init_container() + container.init_container(clear=True, **self.defaults['repository']) # pylint: disable=unsubscriptable-object return container @@ -366,18 +379,6 @@ def get_rmq_url(self): **self.broker_parameters ) - def configure_repository(self): - """Validates the configured repository and in the case of a file system repo makes sure the folder exists.""" - import errno - - try: - os.makedirs(self.repository_path) - except OSError as exception: - if exception.errno != errno.EEXIST: - raise exceptions.ConfigurationError( - f'could not create the configured repository `{self.repository_path}`: {str(exception)}' - ) - @property def filepaths(self): """Return the filepaths used by this profile. diff --git a/tests/backends/aiida_django/migrations/test_migrations_0047_migrate_repository.py b/tests/backends/aiida_django/migrations/test_migrations_0047_migrate_repository.py new file mode 100644 index 0000000000..4ab3d43ad3 --- /dev/null +++ b/tests/backends/aiida_django/migrations/test_migrations_0047_migrate_repository.py @@ -0,0 +1,79 @@ +# -*- 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 # +########################################################################### +# pylint: disable=import-error,no-name-in-module,invalid-name +"""Test migration of the old file repository to the disk object store.""" +import hashlib + +from aiida.backends.general.migrations import utils +from .test_migrations_common import TestMigrations + + +class TestRepositoryMigration(TestMigrations): + """Test migration of the old file repository to the disk object store.""" + + migrate_from = '0046_add_node_repository_metadata' + migrate_to = '0047_migrate_repository' + + def setUpBeforeMigration(self): + DbNode = self.apps.get_model('db', 'DbNode') + dbnode_01 = DbNode(user_id=self.default_user.id) + dbnode_01.save() + dbnode_02 = DbNode(user_id=self.default_user.id) + dbnode_02.save() + dbnode_03 = DbNode(user_id=self.default_user.id) + dbnode_03.save() + self.node_01_pk = dbnode_01.pk + self.node_02_pk = dbnode_02.pk + self.node_03_pk = dbnode_03.pk + + utils.put_object_from_string(dbnode_01.uuid, 'sub/path/file_b.txt', 'b') + utils.put_object_from_string(dbnode_01.uuid, 'sub/file_a.txt', 'a') + utils.put_object_from_string(dbnode_02.uuid, 'output.txt', 'output') + + def test_migration(self): + """Test that the files are correctly migrated.""" + DbNode = self.apps.get_model('db', 'DbNode') + node_01 = DbNode.objects.get(pk=self.node_01_pk) + node_02 = DbNode.objects.get(pk=self.node_02_pk) + node_03 = DbNode.objects.get(pk=self.node_03_pk) + + assert node_01.repository_metadata == { + 'o': { + 'sub': { + 'o': { + 'path': { + 'o': { + 'file_b.txt': { + 'k': hashlib.sha256('b'.encode('utf-8')).hexdigest() + } + } + }, + 'file_a.txt': { + 'k': hashlib.sha256('a'.encode('utf-8')).hexdigest() + } + } + } + } + } + assert node_02.repository_metadata == { + 'o': { + 'output.txt': { + 'k': hashlib.sha256('output'.encode('utf-8')).hexdigest() + } + } + } + assert node_03.repository_metadata is None + + for hashkey, content in ( + (node_01.repository_metadata['o']['sub']['o']['path']['o']['file_b.txt']['k'], b'b'), + (node_01.repository_metadata['o']['sub']['o']['file_a.txt']['k'], b'a'), + (node_02.repository_metadata['o']['output.txt']['k'], b'output'), + ): + assert utils.get_repository_object(hashkey) == content diff --git a/tests/backends/aiida_sqlalchemy/test_migrations.py b/tests/backends/aiida_sqlalchemy/test_migrations.py index 7fb79912dc..e8d86ef9f5 100644 --- a/tests/backends/aiida_sqlalchemy/test_migrations.py +++ b/tests/backends/aiida_sqlalchemy/test_migrations.py @@ -1103,6 +1103,7 @@ def test_data_node_type_string(self): finally: session.close() + class TestTrajectoryDataMigration(TestMigrationsSQLA): """Test the migration of the symbols from numpy array to attribute for TrajectoryData nodes.""" import numpy @@ -1172,6 +1173,7 @@ def test_trajectory_symbols(self): finally: session.close() + class TestNodePrefixRemovalMigration(TestMigrationsSQLA): """Test the migration of Data nodes after the data module was moved within the node moduel.""" @@ -1273,6 +1275,7 @@ def test_type_string(self): finally: session.close() + class TestLegacyJobCalcStateDataMigration(TestMigrationsSQLA): """Test the migration that performs a data migration of legacy `JobCalcState`.""" @@ -1762,7 +1765,7 @@ def setUpBeforeMigration(self): with self.get_session() as session: try: - default_user = DbUser(email='{}@aiida.net'.format(self.id())) + default_user = DbUser(email=f'{self.id()}@aiida.net') session.add(default_user) session.commit() @@ -1786,3 +1789,105 @@ def test_add_node_repository_metadata(self): assert node.repository_metadata is None finally: session.close() + + +class TestRepositoryMigration(TestMigrationsSQLA): + """Test migration of the old file repository to the disk object store.""" + + migrate_from = '7536a82b2cc4' + migrate_to = '1feaea71bd5a' + + def setUpBeforeMigration(self): + from aiida.common.utils import get_new_uuid + + DbNode = self.get_current_table('db_dbnode') # pylint: disable=invalid-name + DbUser = self.get_current_table('db_dbuser') # pylint: disable=invalid-name + + with self.get_session() as session: + try: + default_user = DbUser(email=f'{self.id()}@aiida.net') + session.add(default_user) + session.commit() + + # For some reasons, the UUIDs do not get created automatically through the column's default in the + # migrations so we set it manually using the same method. + node_01 = DbNode(user_id=default_user.id, uuid=get_new_uuid()) + node_02 = DbNode(user_id=default_user.id, uuid=get_new_uuid()) + node_03 = DbNode(user_id=default_user.id, uuid=get_new_uuid()) + node_04 = DbNode(user_id=default_user.id, uuid=get_new_uuid()) + + session.add(node_01) + session.add(node_02) + session.add(node_03) # Empty repository folder + session.add(node_04) # Both `path` and `raw_input` subfolder + session.commit() + + assert node_01.uuid is not None + assert node_02.uuid is not None + assert node_03.uuid is not None + assert node_04.uuid is not None + + self.node_01_pk = node_01.id + self.node_02_pk = node_02.id + self.node_03_pk = node_03.id + self.node_04_pk = node_04.id + + utils.put_object_from_string(node_01.uuid, 'sub/path/file_b.txt', 'b') + utils.put_object_from_string(node_01.uuid, 'sub/file_a.txt', 'a') + utils.put_object_from_string(node_02.uuid, 'output.txt', 'output') + + os.makedirs(utils.get_node_repository_sub_folder(node_04.uuid, 'path'), exist_ok=True) + os.makedirs(utils.get_node_repository_sub_folder(node_04.uuid, 'raw_input'), exist_ok=True) + + # Add a repository folder for a node that no longer exists - i.e. it may have been deleted. + utils.put_object_from_string(get_new_uuid(), 'file_of_deleted_node', 'output') + + finally: + session.close() + + def test_migration(self): + """Test that the files are correctly migrated.""" + import hashlib + DbNode = self.get_current_table('db_dbnode') # pylint: disable=invalid-name + + with self.get_session() as session: + try: + node_01 = session.query(DbNode).filter(DbNode.id == self.node_01_pk).one() + node_02 = session.query(DbNode).filter(DbNode.id == self.node_02_pk).one() + node_03 = session.query(DbNode).filter(DbNode.id == self.node_03_pk).one() + + assert node_01.repository_metadata == { + 'o': { + 'sub': { + 'o': { + 'path': { + 'o': { + 'file_b.txt': { + 'k': hashlib.sha256('b'.encode('utf-8')).hexdigest() + } + } + }, + 'file_a.txt': { + 'k': hashlib.sha256('a'.encode('utf-8')).hexdigest() + } + } + } + } + } + assert node_02.repository_metadata == { + 'o': { + 'output.txt': { + 'k': hashlib.sha256('output'.encode('utf-8')).hexdigest() + } + } + } + assert node_03.repository_metadata is None + + for hashkey, content in ( + (node_01.repository_metadata['o']['sub']['o']['path']['o']['file_b.txt']['k'], b'b'), + (node_01.repository_metadata['o']['sub']['o']['file_a.txt']['k'], b'a'), + (node_02.repository_metadata['o']['output.txt']['k'], b'output'), + ): + assert utils.get_repository_object(hashkey) == content + finally: + session.close() From f30f000f985d0acf63c00b7f0d63ea6660feb9f6 Mon Sep 17 00:00:00 2001 From: Sebastiaan Huber Date: Mon, 20 Jul 2020 10:36:05 +0200 Subject: [PATCH 10/13] First implementation of export/import using new disk object store Use the `Container.export` method in export/import functionality --- .../orm/nodes/process/calculation/calcjob.py | 3 - aiida/tools/graph/deletions.py | 2 +- .../archive/migrations/__init__.py | 7 +- .../archive/migrations/v03_to_v04.py | 4 +- .../archive/migrations/v10_to_v11.py | 74 ++++++ aiida/tools/importexport/archive/readers.py | 70 +----- aiida/tools/importexport/archive/writers.py | 43 ++-- aiida/tools/importexport/common/__init__.py | 4 +- aiida/tools/importexport/common/archive.py | 212 ------------------ aiida/tools/importexport/common/config.py | 6 +- aiida/tools/importexport/common/utils.py | 14 -- aiida/tools/importexport/dbexport/__init__.py | 81 ++++--- .../importexport/dbimport/backends/common.py | 50 +++-- .../importexport/dbimport/backends/django.py | 4 +- .../importexport/dbimport/backends/sqla.py | 4 +- .../howto/visualising_graphs/graph1.aiida | Bin 8262 -> 4472 bytes mypy.ini | 3 + tests/cmdline/commands/test_archive_export.py | 3 - tests/cmdline/commands/test_archive_import.py | 2 - tests/cmdline/commands/test_calcjob.py | 10 +- .../export/migrate/export_v0.10_simple.aiida | Bin 0 -> 84109 bytes tests/orm/data/test_array.py | 38 ++++ tests/orm/data/test_cif.py | 1 - tests/static/calcjob/arithmetic.add.aiida | Bin 11418 -> 8980 bytes tests/static/calcjob/arithmetic.add_old.aiida | Bin 8737 -> 7590 bytes tests/static/export/compare/django.aiida | Bin 2291 -> 2595 bytes tests/static/export/compare/sqlalchemy.aiida | Bin 2284 -> 2590 bytes .../export/migrate/export_v0.11_simple.aiida | Bin 0 -> 83553 bytes tests/tools/importexport/__init__.py | 4 - tests/tools/importexport/test_reader.py | 7 +- tests/tools/importexport/test_repository.py | 42 ++++ .../importexport/test_specific_import.py | 192 ---------------- tests/utils/archives.py | 1 - 33 files changed, 294 insertions(+), 587 deletions(-) create mode 100644 aiida/tools/importexport/archive/migrations/v10_to_v11.py delete mode 100644 aiida/tools/importexport/common/archive.py create mode 100644 tests/fixtures/export/migrate/export_v0.10_simple.aiida create mode 100644 tests/orm/data/test_array.py create mode 100644 tests/static/export/migrate/export_v0.11_simple.aiida create mode 100644 tests/tools/importexport/test_repository.py diff --git a/aiida/orm/nodes/process/calculation/calcjob.py b/aiida/orm/nodes/process/calculation/calcjob.py index b08e9b5685..85bcb3020b 100644 --- a/aiida/orm/nodes/process/calculation/calcjob.py +++ b/aiida/orm/nodes/process/calculation/calcjob.py @@ -50,9 +50,6 @@ class CalcJobNode(CalculationNode): SCHEDULER_LAST_JOB_INFO_KEY = 'last_job_info' SCHEDULER_DETAILED_JOB_INFO_KEY = 'detailed_job_info' - # Base path within the repository where to put objects by default - _repository_base_path = 'raw_input' - # An optional entry point for a CalculationTools instance _tools = None diff --git a/aiida/tools/graph/deletions.py b/aiida/tools/graph/deletions.py index 74f701bd43..26b6bd81a2 100644 --- a/aiida/tools/graph/deletions.py +++ b/aiida/tools/graph/deletions.py @@ -15,7 +15,7 @@ from aiida.backends.utils import delete_nodes_and_connections from aiida.common.log import AIIDA_LOGGER from aiida.common.warnings import AiidaDeprecationWarning -from aiida.orm import Group, Node, QueryBuilder, load_node +from aiida.orm import Group, Node, QueryBuilder from aiida.tools.graph.graph_traversers import get_nodes_delete __all__ = ('DELETE_LOGGER', 'delete_nodes', 'delete_group_nodes') diff --git a/aiida/tools/importexport/archive/migrations/__init__.py b/aiida/tools/importexport/archive/migrations/__init__.py index b2d0c76de2..436597e677 100644 --- a/aiida/tools/importexport/archive/migrations/__init__.py +++ b/aiida/tools/importexport/archive/migrations/__init__.py @@ -8,8 +8,7 @@ # For further information please visit http://www.aiida.net # ########################################################################### """Migration archive files from old export versions to the newest, used by `verdi export migrate` command.""" -from pathlib import Path -from typing import Any, Callable, Dict, Tuple, Union +from typing import Callable, Dict, Tuple from aiida.tools.importexport.archive.common import CacheFolder @@ -22,6 +21,7 @@ from .v07_to_v08 import migrate_v7_to_v8 from .v08_to_v09 import migrate_v8_to_v9 from .v09_to_v10 import migrate_v9_to_v10 +from .v10_to_v11 import migrate_v10_to_v11 # version from -> version to, function which acts on the cache folder _vtype = Dict[str, Tuple[str, Callable[[CacheFolder], None]]] @@ -34,5 +34,6 @@ '0.6': ('0.7', migrate_v6_to_v7), '0.7': ('0.8', migrate_v7_to_v8), '0.8': ('0.9', migrate_v8_to_v9), - '0.9': ('0.10', migrate_v9_to_v10) + '0.9': ('0.10', migrate_v9_to_v10), + '0.10': ('0.11', migrate_v10_to_v11), } diff --git a/aiida/tools/importexport/archive/migrations/v03_to_v04.py b/aiida/tools/importexport/archive/migrations/v03_to_v04.py index b0c3fc97df..5440f77305 100644 --- a/aiida/tools/importexport/archive/migrations/v03_to_v04.py +++ b/aiida/tools/importexport/archive/migrations/v03_to_v04.py @@ -342,14 +342,12 @@ def migration_trajectory_symbols_to_attribute(data: dict, folder: CacheFolder): """Apply migrations: 0026 - REV. 1.0.26 and 0027 - REV. 1.0.27 Create the symbols attribute from the repository array for all `TrajectoryData` nodes. """ - from aiida.tools.importexport.common.config import NODES_EXPORT_SUBFOLDER - path = folder.get_path(flush=False) for node_id, content in data['export_data'].get('Node', {}).items(): if content.get('type', '') == 'node.data.array.trajectory.TrajectoryData.': uuid = content['uuid'] - symbols_path = path.joinpath(NODES_EXPORT_SUBFOLDER, uuid[0:2], uuid[2:4], uuid[4:], 'path', 'symbols.npy') + symbols_path = path.joinpath('nodes', uuid[0:2], uuid[2:4], uuid[4:], 'path', 'symbols.npy') symbols = np.load(os.path.abspath(symbols_path)).tolist() symbols_path.unlink() # Update 'node_attributes' diff --git a/aiida/tools/importexport/archive/migrations/v10_to_v11.py b/aiida/tools/importexport/archive/migrations/v10_to_v11.py new file mode 100644 index 0000000000..9ed2260fa4 --- /dev/null +++ b/aiida/tools/importexport/archive/migrations/v10_to_v11.py @@ -0,0 +1,74 @@ +# -*- 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 # +########################################################################### +"""Migration from v0.10 to v0.11, used by `verdi export migrate` command. + +This migration deals with the file repository. In the old version, the +""" +import os +import shutil + +from aiida.tools.importexport.archive.common import CacheFolder +from .utils import verify_metadata_version, update_metadata + + +def migrate_repository(metadata, data, folder): + """Migrate the file repository to a disk object store container.""" + from disk_objectstore import Container + from aiida.repository import Repository, File + from aiida.repository.backend import DiskObjectStoreRepositoryBackend + + container = Container(os.path.join(folder.get_path(), 'container')) + container.init_container() + backend = DiskObjectStoreRepositoryBackend(container=container) + repository = Repository(backend=backend) + + for values in data.get('export_data', {}).get('Node', {}).values(): + uuid = values['uuid'] + dirpath_calc = os.path.join(folder.get_path(), 'nodes', uuid[:2], uuid[2:4], uuid[4:], 'raw_input') + dirpath_data = os.path.join(folder.get_path(), 'nodes', uuid[:2], uuid[2:4], uuid[4:], 'path') + + if os.path.isdir(dirpath_calc): + dirpath = dirpath_calc + elif os.path.isdir(dirpath_data): + dirpath = dirpath_data + else: + raise AssertionError('node repository contains neither `raw_input` nor `path` subfolder.') + + if not os.listdir(dirpath): + continue + + repository.put_object_from_tree(dirpath) + values['repository_metadata'] = repository.serialize() + # Artificially reset the metadata + repository._directory = File() # pylint: disable=protected-access + + container.pack_all_loose(compress=False) + shutil.rmtree(os.path.join(folder.get_path(), 'nodes')) + + metadata['all_fields_info']['Node']['repository_metadata'] = {} + + +def migrate_v10_to_v11(folder: CacheFolder): + """Migration of export files from v0.10 to v0.11.""" + old_version = '0.10' + new_version = '0.11' + + _, metadata = folder.load_json('metadata.json') + + verify_metadata_version(metadata, old_version) + update_metadata(metadata, new_version) + + _, data = folder.load_json('data.json') + + # Apply migrations + migrate_repository(metadata, data, folder) + + folder.write_json('metadata.json', metadata) + folder.write_json('data.json', data) diff --git a/aiida/tools/importexport/archive/readers.py b/aiida/tools/importexport/archive/readers.py index 65da299ab2..190e654b86 100644 --- a/aiida/tools/importexport/archive/readers.py +++ b/aiida/tools/importexport/archive/readers.py @@ -10,24 +10,23 @@ """Archive reader classes.""" from abc import ABC, abstractmethod import json -import os from pathlib import Path import tarfile from types import TracebackType -from typing import Any, Callable, cast, Dict, Iterable, Iterator, List, Optional, Set, Tuple, Type +from typing import Any, Callable, cast, Dict, Iterator, List, Optional, Set, Tuple, Type import zipfile from distutils.version import StrictVersion from archive_path import TarPath, ZipPath, read_file_in_tar, read_file_in_zip +from disk_objectstore import Container from aiida.common.log import AIIDA_LOGGER from aiida.common.exceptions import InvalidOperation -from aiida.common.folders import Folder, SandboxFolder -from aiida.tools.importexport.common.config import EXPORT_VERSION, ExportFileFormat, NODES_EXPORT_SUBFOLDER +from aiida.common.folders import SandboxFolder +from aiida.tools.importexport.common.config import EXPORT_VERSION, ExportFileFormat from aiida.tools.importexport.common.exceptions import (CorruptArchive, IncompatibleArchiveVersionError) from aiida.tools.importexport.archive.common import (ArchiveMetadata, null_callback) from aiida.tools.importexport.common.config import NODE_ENTITY_NAME, GROUP_ENTITY_NAME -from aiida.tools.importexport.common.utils import export_shard_uuid __all__ = ( 'ArchiveReaderAbstract', @@ -184,33 +183,8 @@ def iter_link_data(self) -> Iterator[dict]: """Iterate over links: {'input': , 'output': , 'label':

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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 # +########################################################################### +"""Tests for cif related functions.""" +import numpy +import pytest + +from aiida.manage.manager import get_manager +from aiida.orm import load_node, ArrayData + + +@pytest.mark.usefixtures('clear_database_before_test') +def test_read_stored(): + """Test the `parse_formula` utility function.""" + array = numpy.array([1, 2, 3, 4, 5, 6, 7, 8, 9]) + node = ArrayData() + node.set_array('array', array) + + assert numpy.array_equal(node.get_array('array'), array) + + node.store() + assert numpy.array_equal(node.get_array('array'), array) + + loaded = load_node(node.uuid) + assert numpy.array_equal(loaded.get_array('array'), array) + + # Now pack all the files in the repository + container = get_manager().get_profile().get_repository_container() + container.pack_all_loose() + + loaded = load_node(node.uuid) + assert numpy.array_equal(loaded.get_array('array'), array) diff --git a/tests/orm/data/test_cif.py b/tests/orm/data/test_cif.py index 5dd7e5eddc..87e90cb138 100644 --- a/tests/orm/data/test_cif.py +++ b/tests/orm/data/test_cif.py @@ -8,7 +8,6 @@ # For further information please visit http://www.aiida.net # ########################################################################### """Tests for cif related functions.""" - import pytest from aiida.orm.nodes.data.cif import parse_formula diff --git a/tests/static/calcjob/arithmetic.add.aiida b/tests/static/calcjob/arithmetic.add.aiida index 7d988a68396c8628ae4410e6ed1167b3f05786d5..76308e1c588ce1c0fef9410d892267cf4ef1f720 100644 GIT binary patch literal 8980 zcmbt(2RzmP_y5f%#K$aqC+qG(WTq%vh;V0C)-^M-M^;8wNMw~!Qe7)Eqaq?Iln`Z> 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zufeD3>wv#RgFtGSe)ayD@@Dm5=HlT96cSCNP=NbrEQX2$qYejPhzL3#_(#G}>HZ^8 z7#JCkqQS{{DkwP|j!GjVY1mD<-?$&Vo!J4X?_m2S_ywRJfAtw=4aDcF&&wzCx=wLt~v7k+`XfSy;<$m|4QI7io5Xjzcb_h49 k{y!fHKKq~jQ~l5T2bj)DW)}Ke_Jc1IC Date: Sun, 28 Mar 2021 23:14:08 +0200 Subject: [PATCH 11/13] Database: add cross-reference of repository UUID to settings table The new repository implementation, using the `disk-objectstore` underneath, now provides a UUID for each repository. Currently, each database can only be configured to work with a single repository. By writing the UUID of the repository into the database, it will become possible to enable a consistency check of the repository and database that are configured for a particular profile. This will prevent accidental misconfigurations where the wrong repository is coupled to a particular database. The repository UUID is generated automatically by the `disk-objectstore` library when the container is created and it provides an interface to retrieve it. This value is written to the database in the `verdi setup` command when a new profile is created. If the database already has the repository UUID setting defined, it will be cross-referenced with the one of the repository to make sure it is compatible. This case is to facilitate the creation of a new profile for an existing repository and database. However, if the UUIDs do not match, the setup command fails. For databases that were created before this commit, the database migration that performed the migration of the legacy file repository includes a statement that will insert the UUID of the new object store container once is has been created. --- .../db/migrations/0047_migrate_repository.py | 67 ++++++++++++------- aiida/backends/manager.py | 21 +++++- .../1feaea71bd5a_migrate_repository.py | 43 +++++++----- aiida/cmdline/commands/cmd_setup.py | 24 ++++++- ...test_migrations_0047_migrate_repository.py | 17 +++++ .../aiida_sqlalchemy/test_migrations.py | 7 ++ tests/cmdline/commands/test_setup.py | 14 +++- 7 files changed, 149 insertions(+), 44 deletions(-) diff --git a/aiida/backends/djsite/db/migrations/0047_migrate_repository.py b/aiida/backends/djsite/db/migrations/0047_migrate_repository.py index 1a240cb60b..118a870ba0 100644 --- a/aiida/backends/djsite/db/migrations/0047_migrate_repository.py +++ b/aiida/backends/djsite/db/migrations/0047_migrate_repository.py @@ -20,8 +20,10 @@ REVISION = '1.0.47' DOWN_REVISION = '1.0.46' +REPOSITORY_UUID_KEY = 'repository|uuid' -def migrate_repository(apps, _): + +def migrate_repository(apps, schema_editor): """Migrate the repository.""" # pylint: disable=too-many-locals import json @@ -75,34 +77,47 @@ def migrate_repository(apps, _): del mapping_node_repository_metadata progress.update() - if not profile.is_test_profile: - - if missing_node_uuids: - prefix = 'migration-repository-missing-nodes-' - with NamedTemporaryFile(prefix=prefix, suffix='.json', dir='.', mode='w+', delete=False) as handle: - json.dump(missing_node_uuids, handle) - echo.echo_warning( - '\nDetected node repository folders for nodes that do not exist in the database. The UUIDs of ' - f'those nodes have been written to a log file: {handle.name}' - ) - - if missing_repo_folder: - prefix = 'migration-repository-missing-subfolder-' - with NamedTemporaryFile(prefix=prefix, suffix='.json', dir='.', mode='w+', delete=False) as handle: - json.dump(missing_repo_folder, handle) - echo.echo_warning( - '\nDetected repository folders that were missing the required subfolder `path` or `raw_input`.' - f' The paths of those nodes repository folders have been written to a log file: {handle.name}' - ) - - # If there were no nodes, most likely a new profile, there is not need to print the warning - if node_count: - import pathlib + # Store the UUID of the repository container in the `DbSetting` table. Note that for new databases, the profile + # setup will already have stored the UUID and so it should be skipped, or an exception for a duplicate key will be + # raised. This migration step is only necessary for existing databases that are migrated. + container_id = profile.get_repository_container().container_id + with schema_editor.connection.cursor() as cursor: + cursor.execute( + f""" + INSERT INTO db_dbsetting (key, val, description, time) + VALUES ('repository|uuid', to_json('{container_id}'::text), 'Repository UUID', current_timestamp) + ON CONFLICT (key) DO NOTHING; + """ + ) + + if not profile.is_test_profile: + + if missing_node_uuids: + prefix = 'migration-repository-missing-nodes-' + with NamedTemporaryFile(prefix=prefix, suffix='.json', dir='.', mode='w+', delete=False) as handle: + json.dump(missing_node_uuids, handle) + echo.echo_warning( + '\nDetected node repository folders for nodes that do not exist in the database. The UUIDs of ' + f'those nodes have been written to a log file: {handle.name}' + ) + + if missing_repo_folder: + prefix = 'migration-repository-missing-subfolder-' + with NamedTemporaryFile(prefix=prefix, suffix='.json', dir='.', mode='w+', delete=False) as handle: + json.dump(missing_repo_folder, handle) echo.echo_warning( - '\nMigrated file repository to the new disk object store. The old repository has not been deleted ' - f'out of safety and can be found at {pathlib.Path(profile.repository_path, "repository")}.' + '\nDetected repository folders that were missing the required subfolder `path` or `raw_input`.' + f' The paths of those nodes repository folders have been written to a log file: {handle.name}' ) + # If there were no nodes, most likely a new profile, there is not need to print the warning + if node_count: + import pathlib + echo.echo_warning( + '\nMigrated file repository to the new disk object store. The old repository has not been deleted ' + f'out of safety and can be found at {pathlib.Path(profile.repository_path, "repository")}.' + ) + class Migration(migrations.Migration): """Migrate the file repository to the new disk object store based implementation.""" diff --git a/aiida/backends/manager.py b/aiida/backends/manager.py index f0fc3101ca..5a57baf141 100644 --- a/aiida/backends/manager.py +++ b/aiida/backends/manager.py @@ -8,7 +8,6 @@ # For further information please visit http://www.aiida.net # ########################################################################### """Module for settings and utilities to determine and set the database schema versions.""" - import abc import collections @@ -61,6 +60,8 @@ After the database schema is migrated to version `{schema_version_reset}` you can reinstall this version of `aiida-core` and migrate the schema generation. """ +REPOSITORY_UUID_KEY = 'repository|uuid' + Setting = collections.namedtuple('Setting', ['key', 'value', 'description', 'time']) @@ -221,6 +222,24 @@ def set_schema_generation_database(self, generation): """ self.get_settings_manager().set(SCHEMA_GENERATION_KEY, generation) + def set_repository_uuid(self, uuid): + """Set the UUID of the repository that is associated with this database. + + :param uuid: the UUID of the repository associated with this database. + """ + self.get_settings_manager().set(REPOSITORY_UUID_KEY, uuid, description='Repository UUID') + + def get_repository_uuid(self): + """Return the UUID of the repository that is associated with this database. + + :return: the UUID of the repository associated with this database or None if it doesn't exist. + """ + try: + setting = self.get_settings_manager().get(REPOSITORY_UUID_KEY) + return setting.value + except exceptions.NotExistent: + return None + def validate_schema(self, profile): """Validate that the current database generation and schema are up-to-date with that of the code. diff --git a/aiida/backends/sqlalchemy/migrations/versions/1feaea71bd5a_migrate_repository.py b/aiida/backends/sqlalchemy/migrations/versions/1feaea71bd5a_migrate_repository.py index 9d29b15c3a..dc300428e4 100644 --- a/aiida/backends/sqlalchemy/migrations/versions/1feaea71bd5a_migrate_repository.py +++ b/aiida/backends/sqlalchemy/migrations/versions/1feaea71bd5a_migrate_repository.py @@ -10,7 +10,7 @@ from alembic import op from sqlalchemy import Integer, cast from sqlalchemy.dialects.postgresql import UUID, JSONB -from sqlalchemy.sql import table, column, select, func +from sqlalchemy.sql import table, column, select, func, text from aiida.backends.general.migrations import utils from aiida.cmdline.utils import echo @@ -75,25 +75,38 @@ def upgrade(): del mapping_node_repository_metadata progress.update() - if not profile.is_test_profile: + # Store the UUID of the repository container in the `DbSetting` table. Note that for new databases, the profile + # setup will already have stored the UUID and so it should be skipped, or an exception for a duplicate key will be + # raised. This migration step is only necessary for existing databases that are migrated. + container_id = profile.get_repository_container().container_id + statement = text( + f""" + INSERT INTO db_dbsetting (key, val, description) + VALUES ('repository|uuid', to_json('{container_id}'::text), 'Repository UUID') + ON CONFLICT (key) DO NOTHING; + """ + ) + connection.execute(statement) - if missing_repo_folder: - prefix = 'migration-repository-missing-subfolder-' - with NamedTemporaryFile(prefix=prefix, suffix='.json', dir='.', mode='w+', delete=False) as handle: - json.dump(missing_repo_folder, handle) - echo.echo_warning( - 'Detected repository folders that were missing the required subfolder `path` or `raw_input`. ' - f'The paths of those nodes repository folders have been written to a log file: {handle.name}' - ) + if not profile.is_test_profile: - # If there were no nodes, most likely a new profile, there is not need to print the warning - if node_count: - import pathlib + if missing_repo_folder: + prefix = 'migration-repository-missing-subfolder-' + with NamedTemporaryFile(prefix=prefix, suffix='.json', dir='.', mode='w+', delete=False) as handle: + json.dump(missing_repo_folder, handle) echo.echo_warning( - 'Migrated file repository to the new disk object store. The old repository has not been deleted out' - f' of safety and can be found at {pathlib.Path(get_profile().repository_path, "repository")}.' + 'Detected repository folders that were missing the required subfolder `path` or `raw_input`. ' + f'The paths of those nodes repository folders have been written to a log file: {handle.name}' ) + # If there were no nodes, most likely a new profile, there is not need to print the warning + if node_count: + import pathlib + echo.echo_warning( + 'Migrated file repository to the new disk object store. The old repository has not been deleted out' + f' of safety and can be found at {pathlib.Path(get_profile().repository_path, "repository")}.' + ) + def downgrade(): """Migrations for the downgrade.""" diff --git a/aiida/cmdline/commands/cmd_setup.py b/aiida/cmdline/commands/cmd_setup.py index 241e048bb8..2017161e9f 100644 --- a/aiida/cmdline/commands/cmd_setup.py +++ b/aiida/cmdline/commands/cmd_setup.py @@ -78,7 +78,8 @@ def setup( # Migrate the database echo.echo_info('migrating the database.') - backend = get_manager()._load_backend(schema_check=False) # pylint: disable=protected-access + manager = get_manager() + backend = manager._load_backend(schema_check=False) # pylint: disable=protected-access try: backend.migrate() @@ -89,6 +90,27 @@ def setup( else: echo.echo_success('database migration completed.') + # Retrieve the repository UUID from the database. If set, this means this database is associated with the repository + # with that UUID and we have to make sure that the provided repository corresponds to it. + backend_manager = manager.get_backend_manager() + repository_uuid_database = backend_manager.get_repository_uuid() + repository_uuid_profile = profile.get_repository_container().container_id + + # If database contains no repository UUID, it should be a clean database so associate it with the repository + if repository_uuid_database is None: + backend_manager.set_repository_uuid(repository_uuid_profile) + + # Otherwise, if the database UUID does not match that of the repository, it means they do not belong together. Note + # that if a new repository path was specified, which does not yet contain a container, the call to retrieve the + # repo by `get_repository_container` will initialize the container and generate a UUID. This guarantees that if a + # non-empty database is configured with an empty repository path, this check will hit. + elif repository_uuid_database != repository_uuid_profile: + echo.echo_critical( + f'incompatible database and repository configured:\n' + f'Database `{db_name}` is associated with the repository with UUID `{repository_uuid_database}`\n' + f'However, the configured repository `{repository}` has UUID `{repository_uuid_profile}`.' + ) + # Optionally setting configuration default user settings config.set_option('autofill.user.email', email, override=False) config.set_option('autofill.user.first_name', first_name, override=False) diff --git a/tests/backends/aiida_django/migrations/test_migrations_0047_migrate_repository.py b/tests/backends/aiida_django/migrations/test_migrations_0047_migrate_repository.py index 4ab3d43ad3..f889f27f8b 100644 --- a/tests/backends/aiida_django/migrations/test_migrations_0047_migrate_repository.py +++ b/tests/backends/aiida_django/migrations/test_migrations_0047_migrate_repository.py @@ -14,6 +14,8 @@ from aiida.backends.general.migrations import utils from .test_migrations_common import TestMigrations +REPOSITORY_UUID_KEY = 'repository|uuid' + class TestRepositoryMigration(TestMigrations): """Test migration of the old file repository to the disk object store.""" @@ -23,12 +25,15 @@ class TestRepositoryMigration(TestMigrations): def setUpBeforeMigration(self): DbNode = self.apps.get_model('db', 'DbNode') + DbSetting = self.apps.get_model('db', 'DbSetting') + dbnode_01 = DbNode(user_id=self.default_user.id) dbnode_01.save() dbnode_02 = DbNode(user_id=self.default_user.id) dbnode_02.save() dbnode_03 = DbNode(user_id=self.default_user.id) dbnode_03.save() + self.node_01_pk = dbnode_01.pk self.node_02_pk = dbnode_02.pk self.node_03_pk = dbnode_03.pk @@ -37,9 +42,17 @@ def setUpBeforeMigration(self): utils.put_object_from_string(dbnode_01.uuid, 'sub/file_a.txt', 'a') utils.put_object_from_string(dbnode_02.uuid, 'output.txt', 'output') + # When multiple migrations are ran, it is possible that migration 0047 is run at a point where the repository + # container does not have a UUID (at that point in the migration) and so the setting gets set to `None`. This + # should only happen during testing, and in this case we delete it first so the actual migration gets to set it. + if DbSetting.objects.filter(key=REPOSITORY_UUID_KEY).exists(): + DbSetting.objects.get(key=REPOSITORY_UUID_KEY).delete() + def test_migration(self): """Test that the files are correctly migrated.""" DbNode = self.apps.get_model('db', 'DbNode') + DbSetting = self.apps.get_model('db', 'DbSetting') + node_01 = DbNode.objects.get(pk=self.node_01_pk) node_02 = DbNode.objects.get(pk=self.node_02_pk) node_03 = DbNode.objects.get(pk=self.node_03_pk) @@ -77,3 +90,7 @@ def test_migration(self): (node_02.repository_metadata['o']['output.txt']['k'], b'output'), ): assert utils.get_repository_object(hashkey) == content + + repository_uuid = DbSetting.objects.get(key=REPOSITORY_UUID_KEY) + assert repository_uuid is not None + assert isinstance(repository_uuid.val, str) diff --git a/tests/backends/aiida_sqlalchemy/test_migrations.py b/tests/backends/aiida_sqlalchemy/test_migrations.py index e8d86ef9f5..3074bcd5aa 100644 --- a/tests/backends/aiida_sqlalchemy/test_migrations.py +++ b/tests/backends/aiida_sqlalchemy/test_migrations.py @@ -1849,6 +1849,9 @@ def test_migration(self): """Test that the files are correctly migrated.""" import hashlib DbNode = self.get_current_table('db_dbnode') # pylint: disable=invalid-name + DbSetting = self.get_current_table('db_dbsetting') # pylint: disable=invalid-name + + repository_uuid_key = 'repository|uuid' with self.get_session() as session: try: @@ -1889,5 +1892,9 @@ def test_migration(self): (node_02.repository_metadata['o']['output.txt']['k'], b'output'), ): assert utils.get_repository_object(hashkey) == content + + repository_uuid = session.query(DbSetting).filter(DbSetting.key == repository_uuid_key).one() + assert repository_uuid is not None + assert isinstance(repository_uuid.val, str) finally: session.close() diff --git a/tests/cmdline/commands/test_setup.py b/tests/cmdline/commands/test_setup.py index 8515be996e..5fa22184a9 100644 --- a/tests/cmdline/commands/test_setup.py +++ b/tests/cmdline/commands/test_setup.py @@ -8,7 +8,6 @@ # For further information please visit http://www.aiida.net # ########################################################################### """Tests for `verdi profile`.""" - import traceback from click.testing import CliRunner import pytest @@ -18,6 +17,7 @@ from aiida.backends.testbase import AiidaPostgresTestCase from aiida.cmdline.commands import cmd_setup from aiida.manage import configuration +from aiida.manage.manager import get_manager from aiida.manage.external.postgres import Postgres @@ -76,6 +76,12 @@ def test_quicksetup(self): self.assertEqual(user.last_name, user_last_name) self.assertEqual(user.institution, user_institution) + # Check that the repository UUID was stored in the database + manager = get_manager() + backend_manager = manager.get_backend_manager() + repository = profile.get_repository_container() + self.assertEqual(backend_manager.get_repository_uuid(), repository.container_id) + def test_quicksetup_from_config_file(self): """Test `verdi quicksetup` from configuration file.""" import tempfile @@ -157,3 +163,9 @@ def test_setup(self): self.assertEqual(user.first_name, user_first_name) self.assertEqual(user.last_name, user_last_name) self.assertEqual(user.institution, user_institution) + + # Check that the repository UUID was stored in the database + manager = get_manager() + backend_manager = manager.get_backend_manager() + repository = profile.get_repository_container() + self.assertEqual(backend_manager.get_repository_uuid(), repository.container_id) From 36939cdecede72834160c146425835f81d0b29aa Mon Sep 17 00:00:00 2001 From: Sebastiaan Huber Date: Mon, 29 Mar 2021 17:38:55 +0200 Subject: [PATCH 12/13] Profile: check database and repository compatibility on load Since the migration to the new repository implementation, each file repository has its own UUID. This UUID is now written to the settings table of the database that is associated to it. This allows to check that the repository and database that are configured for a profile are compatible. The check is added to the `Manager._load_backend` method, as this is the central point where the database is loaded for the currently loaded profile. We need to place the check here since in order to retrieve the repository UUID from the database, the corresponding backend needs to be loaded first. If the UUID of the repository and the one stored in the database are found to be different, a warning is emitted instructing the user to make sure the repository and database are correctly configured. Since this is new functionality and its stability is not known, a warning is chosen instead of an exception in order to prevent AiiDA becoming unusable in the case of an unintentional bug in the compatibility checking. In the future, when the check has been proven to be stable and reliable, the warning can be changed into an exception. --- aiida/backends/djsite/manager.py | 6 ++--- aiida/manage/configuration/__init__.py | 6 ++--- aiida/manage/manager.py | 32 ++++++++++++++++++++------ 3 files changed, 31 insertions(+), 13 deletions(-) diff --git a/aiida/backends/djsite/manager.py b/aiida/backends/djsite/manager.py index 81c12c2dfe..c3911dc10c 100644 --- a/aiida/backends/djsite/manager.py +++ b/aiida/backends/djsite/manager.py @@ -84,7 +84,7 @@ def get_schema_generation_database(self): from django.db.utils import ProgrammingError from aiida.manage.manager import get_manager - backend = get_manager()._load_backend(schema_check=False) # pylint: disable=protected-access + backend = get_manager()._load_backend(schema_check=False, repository_check=False) # pylint: disable=protected-access try: result = backend.execute_raw(r"""SELECT tval FROM db_dbsetting WHERE key = 'schema_generation';""") @@ -104,7 +104,7 @@ def get_schema_version_database(self): from django.db.utils import ProgrammingError from aiida.manage.manager import get_manager - backend = get_manager()._load_backend(schema_check=False) # pylint: disable=protected-access + backend = get_manager()._load_backend(schema_check=False, repository_check=False) # pylint: disable=protected-access try: result = backend.execute_raw(r"""SELECT tval FROM db_dbsetting WHERE key = 'db|schemaversion';""") @@ -129,7 +129,7 @@ def _migrate_database_generation(self): from aiida.manage.manager import get_manager super()._migrate_database_generation() - backend = get_manager()._load_backend(schema_check=False) # pylint: disable=protected-access + backend = get_manager()._load_backend(schema_check=False, repository_check=False) # pylint: disable=protected-access backend.execute_raw(r"""DELETE FROM django_migrations WHERE app = 'db';""") backend.execute_raw( r"""INSERT INTO django_migrations (app, name, applied) VALUES ('db', '0001_initial', NOW());""" diff --git a/aiida/manage/configuration/__init__.py b/aiida/manage/configuration/__init__.py index ed5400f0b6..a22620573e 100644 --- a/aiida/manage/configuration/__init__.py +++ b/aiida/manage/configuration/__init__.py @@ -94,8 +94,8 @@ def load_config(create=False): try: config = Config.from_file(filepath) - except ValueError: - raise exceptions.ConfigurationError(f'configuration file {filepath} contains invalid JSON') + except ValueError as exc: + raise exceptions.ConfigurationError(f'configuration file {filepath} contains invalid JSON') from exc _merge_deprecated_cache_yaml(config, filepath) @@ -270,4 +270,4 @@ def load_documentation_profile(): config = {'default_profile': profile_name, 'profiles': {profile_name: profile}} PROFILE = Profile(profile_name, profile, from_config=True) CONFIG = Config(handle.name, config) - get_manager()._load_backend(schema_check=False) # pylint: disable=protected-access + get_manager()._load_backend(schema_check=False, repository_check=False) # pylint: disable=protected-access diff --git a/aiida/manage/manager.py b/aiida/manage/manager.py index 8f8bdfd1f1..0fe9f85343 100644 --- a/aiida/manage/manager.py +++ b/aiida/manage/manager.py @@ -99,17 +99,18 @@ def unload_backend(self) -> None: manager.reset_backend_environment() self._backend = None - def _load_backend(self, schema_check: bool = True) -> 'Backend': + def _load_backend(self, schema_check: bool = True, repository_check: bool = True) -> 'Backend': """Load the backend for the currently configured profile and return it. .. note:: this will reconstruct the `Backend` instance in `self._backend` so the preferred method to load the backend is to call `get_backend` which will create it only when not yet instantiated. - :param schema_check: force a database schema check if the database environment has not yet been loaded - :return: the database backend - + :param schema_check: force a database schema check if the database environment has not yet been loaded. + :param repository_check: force a check that the database is associated with the repository that is configured + for the current profile. + :return: the database backend. """ - from aiida.backends import BACKEND_DJANGO, BACKEND_SQLA + from aiida.backends import BACKEND_DJANGO, BACKEND_SQLA, get_backend_manager from aiida.common import ConfigurationError, InvalidOperation from aiida.common.log import configure_logging from aiida.manage import configuration @@ -124,13 +125,30 @@ def _load_backend(self, schema_check: bool = True) -> 'Backend': if configuration.BACKEND_UUID is not None and configuration.BACKEND_UUID != profile.uuid: raise InvalidOperation('cannot load backend because backend of another profile is already loaded') + backend_manager = get_backend_manager(profile.database_backend) + # Do NOT reload the backend environment if already loaded, simply reload the backend instance after if configuration.BACKEND_UUID is None: - from aiida.backends import get_backend_manager - backend_manager = get_backend_manager(profile.database_backend) backend_manager.load_backend_environment(profile, validate_schema=schema_check) configuration.BACKEND_UUID = profile.uuid + # Perform the check on the repository compatibility. Since this is new functionality and the stability is not + # yet known, we issue a warning in the case the repo and database are incompatible. In the future this might + # then become an exception once we have verified that it is working reliably. + if repository_check and not profile.is_test_profile: + repository_uuid_config = profile.get_repository_container().container_id + repository_uuid_database = backend_manager.get_repository_uuid() + + from aiida.cmdline.utils import echo + if repository_uuid_config != repository_uuid_database: + echo.echo_warning( + f'the database and repository configured for profile `{profile.name}` are incompatible:\n\n' + f'Repository UUID in profile: {repository_uuid_config}\n' + f'Repository UUID in database: {repository_uuid_database}\n\n' + 'Using a database with an incompatible repository will prevent AiiDA from functioning properly.\n' + 'Please make sure that the configuration of your profile is correct.\n' + ) + backend_type = profile.database_backend # Can only import the backend classes after the backend has been loaded From 0e250e6aa59dc81242eea4b0437bb2df31a687ec Mon Sep 17 00:00:00 2001 From: Sebastiaan Huber Date: Thu, 22 Apr 2021 14:23:06 +0200 Subject: [PATCH 13/13] CLI: fix loading time of `verdi` The `from disk_objectstore import Container` import has a significant loading time. The `aiida.manage.configuration.profile` module imported it at the top level, and since this module is loaded when `verdi` is called, the load time of `verdi` was significantly increased. This would have a detrimental effect on the tab completion speed. The work around is to only import the module within the methods that use it. Ideally, the loading of this library would not be so costly. --- aiida/manage/configuration/profile.py | 10 +++++++--- 1 file changed, 7 insertions(+), 3 deletions(-) diff --git a/aiida/manage/configuration/profile.py b/aiida/manage/configuration/profile.py index 4dfb965d72..7b4265201f 100644 --- a/aiida/manage/configuration/profile.py +++ b/aiida/manage/configuration/profile.py @@ -10,8 +10,7 @@ """AiiDA profile related code""" import collections import os - -from disk_objectstore import Container +from typing import TYPE_CHECKING from aiida.common import exceptions from aiida.common.lang import classproperty @@ -19,6 +18,9 @@ from .options import parse_option from .settings import DAEMON_DIR, DAEMON_LOG_DIR +if TYPE_CHECKING: + from disk_objectstore import Container + __all__ = ('Profile',) CIRCUS_PID_FILE_TEMPLATE = os.path.join(DAEMON_DIR, 'circus-{}.pid') @@ -125,11 +127,13 @@ def __init__(self, name, attributes, from_config=False): # Currently, whether a profile is a test profile is solely determined by its name starting with 'test_' self._test_profile = bool(self.name.startswith('test_')) - def get_repository_container(self) -> Container: + def get_repository_container(self) -> 'Container': """Return the container of the profile's file repository. :return: the profile's file repository container. """ + from disk_objectstore import Container + filepath = os.path.join(self.repository_path, 'container') container = Container(filepath)