Remove the FrozenDict data sub class

The `FrozenDict` class was added to allow `ProcessNode` instances to be
passed to `Process` classes. However, its implementation is flawed as it
uses the pks of the nodes it wraps, which are not persistent across
databases and as such provenance will be lost when it is imported. We
remove the source code here. In a future commit, it will have to be
decided how to migrate existing data.

.pre-commit-config.yaml

@@ -107,7 +107,6 @@
         aiida/backends/tests/test_generic.py|
         aiida/backends/tests/__init__.py|
         aiida/backends/tests/test_nodes.py|
-        aiida/backends/tests/orm/data/test_frozendict.py|
         aiida/backends/tests/orm/data/test_remote.py|
         aiida/backends/tests/orm/utils/test_loaders.py|
         aiida/backends/tests/test_parsers.py|

aiida/backends/tests/__init__.py

@@ -107,7 +107,6 @@
         'orm.authinfos': ['aiida.backends.tests.orm.test_authinfos'],
         'orm.comments': ['aiida.backends.tests.orm.test_comments'],
         'orm.computer': ['aiida.backends.tests.test_computer'],
-        'orm.data.frozendict': ['aiida.backends.tests.orm.data.test_frozendict'],
         'orm.data.remote': ['aiida.backends.tests.orm.data.test_remote'],
         'orm.data.upf': ['aiida.backends.tests.orm.data.test_upf'],
         'orm.entities': ['aiida.backends.tests.orm.test_entities'],

aiida/backends/tests/engine/test_process.py

@@ -18,11 +18,10 @@
 from aiida.backends.testbase import AiidaTestCase
 from aiida.backends.tests.utils import processes as test_processes
 from aiida.common.lang import override
-from aiida.engine import Process, run, run_get_pid, calcfunction
+from aiida.engine import Process, run, run_get_pid
 from aiida.orm import load_node
 from aiida.orm.nodes.data.int import Int
 from aiida.orm.nodes.data.str import Str
-from aiida.orm.nodes.data.frozendict import FrozenDict
 from aiida.orm.nodes.data.parameter import ParameterData
 from aiida.orm import WorkflowNode
 
@@ -151,22 +150,6 @@ def test_work_calc_finish(self):
         run(p)
         self.assertTrue(p.node.is_finished_ok)
 
-    def test_calculation_input(self):
-
-        @calcfunction
-        def simple_wf():
-            return {'a': Int(6), 'b': Int(7)}
-
-        outputs, pid = run_get_pid(simple_wf)
-        calc = load_node(pid)
-
-        dp = test_processes.DummyProcess(inputs={'calc': calc})
-        run(dp)
-
-        input_calc = dp.node.get_incoming().get_node_by_label('calc')
-        self.assertTrue(isinstance(input_calc, FrozenDict))
-        self.assertEqual(input_calc['a'], outputs['a'])
-
     def test_save_instance_state(self):
         proc = test_processes.DummyProcess()
         # Save the instance state

aiida/engine/processes/process.py

@@ -109,7 +109,7 @@ def define(cls, spec):
         spec.input(
             '{}.description'.format(spec.metadata_key), valid_type=six.string_types[0], required=False, non_db=True)
         spec.input('{}.label'.format(spec.metadata_key), valid_type=six.string_types[0], required=False, non_db=True)
-        spec.inputs.valid_type = (orm.Data, ProcessNode)
+        spec.inputs.valid_type = (orm.Data,)
         spec.outputs.valid_type = (orm.Data,)
 
     @classmethod
@@ -556,9 +556,6 @@ def _setup_inputs(self):
             if isinstance(node, Code) and not node.is_local() and not self.node.computer:
                 self.node.computer = node.get_remote_computer()
 
-            if isinstance(node, ProcessNode):
-                node = utils.get_or_create_output_group(node)
-
             # Need this special case for tests that use ProcessNodes as classes
             if isinstance(self.node, ProcessNode) and not isinstance(self.node, (CalculationNode, WorkflowNode)):
                 self.node.add_incoming(node, LinkType.INPUT_WORK, name)

aiida/engine/utils.py

@@ -12,16 +12,14 @@
 from __future__ import division
 from __future__ import print_function
 from __future__ import absolute_import
+
 import contextlib
 import logging
 
 from six.moves import range
 import tornado.ioloop
 from tornado import concurrent, gen
 
-from aiida.common.links import LinkType
-from aiida.orm.nodes.data.frozendict import FrozenDict
-
 __all__ = ('RefObjectStore', 'interruptable_task', 'InterruptableFuture')
 
 LOGGER = logging.getLogger(__name__)
@@ -172,22 +170,6 @@ def is_process_function(function):
         return False
 
 
-def get_or_create_output_group(node):
-    """
-    For a given ProcessNode, get or create a new frozendict Data node that
-    has as its values all output Data nodes of the ProcessNode.
-
-    :param node: ProcessNode
-    """
-    from aiida.orm import ProcessNode
-
-    if not isinstance(node, ProcessNode):
-        raise TypeError('Can only create output groups for type ProcessNode')
-
-    outputs = node.get_outgoing(link_type=(LinkType.CREATE, LinkType.RETURN))
-    return FrozenDict(dict={entry.link_label: entry.node for entry in outputs})
-
-
 @contextlib.contextmanager
 def loop_scope(loop):
     """

aiida/orm/nodes/data/__init__.py

@@ -20,7 +20,6 @@
 from .data import Data
 from .float import Float
 from .folder import FolderData
-from .frozendict import FrozenDict
 from .int import Int
 from .list import List
 from .orbital import OrbitalData
@@ -32,5 +31,5 @@
 from .upf import UpfData
 
 __all__ = ('Data', 'BaseType', 'ArrayData', 'BandsData', 'KpointsData', 'ProjectionData', 'TrajectoryData', 'XyData',
-           'Bool', 'CifData', 'Code', 'Float', 'FolderData', 'FrozenDict', 'Int', 'List', 'OrbitalData',
-           'ParameterData', 'RemoteData', 'SinglefileData', 'Str', 'StructureData', 'UpfData')
+           'Bool', 'CifData', 'Code', 'Float', 'FolderData', 'Int', 'List', 'OrbitalData', 'ParameterData',
+           'RemoteData', 'SinglefileData', 'Str', 'StructureData', 'UpfData')

setup.json

@@ -154,7 +154,6 @@
       "code = aiida.orm.nodes.data.code:Code",
       "float = aiida.orm.nodes.data.float:Float",
       "folder = aiida.orm.nodes.data.folder:FolderData",
-      "frozendict = aiida.orm.nodes.data.frozendict:FrozenDict",
       "int = aiida.orm.nodes.data.int:Int",
       "list = aiida.orm.nodes.data.list:List",
       "numeric = aiida.orm.nodes.data.numeric:NumericType",