Merge master after release of v0.11.4 into release_v0.12.0

CHANGELOG.md

@@ -2,15 +2,13 @@
 
 ### Improvements
 - Hashing, caching and fast-forwarding [[#652]](https://github.com/aiidateam/aiida_core/pull/652)
-- PyCifRW upgraded to 4.2.1 [[#1073]](https://github.com/aiidateam/aiida_core/pull/1073)
 - Calculation no longer stores full source file [[#1082]](https://github.com/aiidateam/aiida_core/pull/1082)
 - Delete nodes via `verdi node delete` [[#1083]](https://github.com/aiidateam/aiida_core/pull/1083)
 - Import structures using ASE [[#1085]](https://github.com/aiidateam/aiida_core/pull/1085)
 - `StructureData` - `pymatgen` - `StructureData` roundtrip works for arbitrary kind names [[#1285]](https://github.com/aiidateam/aiida_core/pull/1285) [[#1306]](https://github.com/aiidateam/aiida_core/pull/1306) [[#1357]](https://github.com/aiidateam/aiida_core/pull/1357)
 
 ### Critical bug fixes
 - Add `parser_name` `JobProcess` options [[#1118]](https://github.com/aiidateam/aiida_core/pull/1118)
-- Serialize `WorkChain` context before persisting [[#1354]](https://github.com/aiidateam/aiida_core/pull/1354)
 
 ### Minor bug fixes
 - Cell vectors not printed correctly [[#1087]](https://github.com/aiidateam/aiida_core/pull/1087)
@@ -27,6 +25,17 @@
 - Document querying of list attributes [[#1326]](https://github.com/aiidateam/aiida_core/pull/1326)
 - Cookbook: how to check the number of queued/running jobs in the scheduler [[#1349]](https://github.com/aiidateam/aiida_core/pull/1349)
 
+
+## v0.11.4
+
+### Improvements
+- PyCifRW upgraded to 4.2.1 [[#1073]](https://github.com/aiidateam/aiida_core/pull/1073)
+
+### Critical bug fixes
+- Persist and load parsed workchain inputs and do not recreate to avoid creating duplicates for default inputs [[#1362]](https://github.com/aiidateam/aiida_core/pull/1362)
+- Serialize `WorkChain` context before persisting [[#1354]](https://github.com/aiidateam/aiida_core/pull/1354)
+
+
 ## v0.11.3
 
 ### Improvements

aiida/__init__.py

@@ -13,7 +13,7 @@
 
 __copyright__ = u"Copyright (c), This file is part of the AiiDA platform. For further information please visit http://www.aiida.net/. All rights reserved."
 __license__ = "MIT license, see LICENSE.txt file."
-__version__ = "0.11.3"
+__version__ = "0.11.4"
 __authors__ = "The AiiDA team."
 __paper__ = """G. Pizzi, A. Cepellotti, R. Sabatini, N. Marzari, and B. Kozinsky, "AiiDA: automated interactive infrastructure and database for computational science", Comp. Mat. Sci 111, 218-230 (2016); http://dx.doi.org/10.1016/j.commatsci.2015.09.013 - http://www.aiida.net."""
 __paper_short__ = """G. Pizzi et al., Comp. Mat. Sci 111, 218 (2016)."""

aiida/orm/data/cif.py

@@ -516,7 +516,6 @@ def values(self):
             for k, v in c.items():
                 c.dictionary[k] = CifBlock(v)
             self._values = c
-
         return self._values
 
     def set_values(self, values):

aiida/utils/serialize.py

@@ -1,6 +1,15 @@
 # -*- 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               #
+###########################################################################
 import collections
 from ast import literal_eval
+from plum.util import AttributesFrozendict
 from aiida.common.extendeddicts import AttributeDict
 from aiida.orm import Group, Node, load_group, load_node
 
@@ -56,6 +65,8 @@ def serialize_data(data):
         return '{}{}'.format(_PREFIX_VALUE_GROUP, data.uuid)
     elif isinstance(data, AttributeDict):
         return AttributeDict({encode_key(key): serialize_data(value) for key, value in data.iteritems()})
+    elif isinstance(data, AttributesFrozendict):
+        return AttributesFrozendict({encode_key(key): serialize_data(value) for key, value in data.iteritems()})
     elif isinstance(data, collections.Mapping):
         return {encode_key(key): serialize_data(value) for key, value in data.iteritems()}
     elif isinstance(data, collections.Sequence) and not isinstance(data, (str, unicode)):
@@ -75,6 +86,8 @@ def deserialize_data(data):
     """
     if isinstance(data, AttributeDict):
         return AttributeDict({decode_key(key): deserialize_data(value) for key, value in data.iteritems()})
+    elif isinstance(data, AttributesFrozendict):
+        return AttributesFrozendict({decode_key(key): deserialize_data(value) for key, value in data.iteritems()})
     elif isinstance(data, collections.Mapping):
         return {decode_key(key): deserialize_data(value) for key, value in data.iteritems()}
     elif isinstance(data, collections.Sequence) and not isinstance(data, (str, unicode)):

setup_requirements.py

@@ -115,7 +115,7 @@
         'pymatgen==4.5.3',  # support for NWChem I/O
         'ase==3.12.0',  # support for crystal structure manipulation
         'PyMySQL==0.7.9',  # required by ICSD tools
-        'PyCifRW==4.2.1', # support for the AiiDA CifData class
+        'PyCifRW==4.2.1',
         'seekpath==1.8.0',
         'qe-tools==1.1.0',
     ],