diff --git a/AUTHORS.txt b/AUTHORS.txt index 145b3e87ad..fe6fb05144 100644 --- a/AUTHORS.txt +++ b/AUTHORS.txt @@ -34,22 +34,22 @@ Former members of the AiiDA team Contributors ############ -We would like to thank the following people for their contibution +We would like to thank the following people for their contibution (beside generic comments and bugfixes): -* Valentin Bersier (EPFL, Switzerland): for the early version of the +* Valentin Bersier (EPFL, Switzerland): for the early version of the AiiDA web interface -* Jocelyn Boullier (EPFL, Switzerland): for the first version of the +* Jocelyn Boullier (EPFL, Switzerland): for the first version of the SQLAlchemy implementation * Jens Bröder: (FZ Jülich, Germany) contributions to the workflow engine * Marco Dorigo (ICAMS, Germany): for the SGE scheduler plugin -* Marco Gibertini: for the Quantum ESPRESSO plugin for the NEB code and +* Marco Gibertini: for the Quantum ESPRESSO plugin for the NEB code and the extension of the PW plugin to the ENVIRON code * Dominik Gresch (ETHZ): for the caching mechanism and contributions to the workflow engine * Eric Hontz (MIT, USA): for the Quantum Espresso pwimmigrant plugin -* Daniel Marchand (EPFL, Switzerland): for the Quantum ESPRESSO plugins +* Daniel Marchand (EPFL, Switzerland): for the Quantum ESPRESSO plugins for PP, PROJWFC, and the first version of the Wannier90 plugin -* Tiziano Müller (ETHZ, Switzerland): for the first implementation of +* Tiziano Müller (ETHZ, Switzerland): for the first implementation of the new plugin system (developed in 2017) and making the code python 3 compatible * Phillippe Schwaller (EPFL, Switzerland): for the ICSD importer @@ -58,9 +58,9 @@ corrections and improvements to the documentation and useful suggestions: Ivano E. Castelli, Ian Lee, Gianluca Prandini, Jianxing Huang, Antimo Marrazzo, Nicola Varini, Mario Zic, Vladimir Dikan, Michael Atambo, Ole Schütt, Y.-W. Fang, Philipp Rüßmann, Bonan Zhu, Andreas Stamminger, Keija Cui, -Daniel Hollas, Jianxing Huang, Espen Flage-Larsen +Daniel Hollas, Jianxing Huang, Espen Flage-Larsen, Chris Sewell --- -Please, don't hesitate to contact the AiiDA team if you see that +Please, don't hesitate to contact the AiiDA team if you see that information is wrong or missing in this file. diff --git a/aiida/__init__.py b/aiida/__init__.py index 315def5979..ab0b5e1481 100644 --- a/aiida/__init__.py +++ b/aiida/__init__.py @@ -34,7 +34,7 @@ __copyright__ = (u'Copyright (c), This file is part of the AiiDA platform. ' u'For further information please visit http://www.aiida.net/. All rights reserved.') __license__ = 'MIT license, see LICENSE.txt file.' -__version__ = '1.0.0b1' +__version__ = '1.0.0b2' __authors__ = 'The AiiDA team.' __paper__ = (u'G. Pizzi, A. Cepellotti, R. Sabatini, N. Marzari, and B. Kozinsky,' u'"AiiDA: automated interactive infrastructure and database for computational science", ' diff --git a/aiida/backends/djsite/db/migrations/0031_remove_dbcomputer_enabled.py b/aiida/backends/djsite/db/migrations/0031_remove_dbcomputer_enabled.py index c8053dedf6..b99c586adf 100644 --- a/aiida/backends/djsite/db/migrations/0031_remove_dbcomputer_enabled.py +++ b/aiida/backends/djsite/db/migrations/0031_remove_dbcomputer_enabled.py @@ -1,4 +1,12 @@ # -*- 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 """Remove `DbComputer.enabled`""" from __future__ import division diff --git a/aiida/backends/djsite/db/migrations/0032_remove_legacy_workflows.py b/aiida/backends/djsite/db/migrations/0032_remove_legacy_workflows.py index 8a0c1bdcb7..de89957161 100644 --- a/aiida/backends/djsite/db/migrations/0032_remove_legacy_workflows.py +++ b/aiida/backends/djsite/db/migrations/0032_remove_legacy_workflows.py @@ -1,6 +1,16 @@ # -*- 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 """Remove legacy workflow.""" +from __future__ import division +from __future__ import print_function from __future__ import unicode_literals from __future__ import absolute_import diff --git a/aiida/backends/djsite/db/migrations/0033_replace_text_field_with_json_field.py b/aiida/backends/djsite/db/migrations/0033_replace_text_field_with_json_field.py index 202871a28d..b494fd4152 100644 --- a/aiida/backends/djsite/db/migrations/0033_replace_text_field_with_json_field.py +++ b/aiida/backends/djsite/db/migrations/0033_replace_text_field_with_json_field.py @@ -1,6 +1,16 @@ # -*- 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 """Replace use of text fields to store JSON data with builtin JSONField.""" +from __future__ import division +from __future__ import print_function from __future__ import unicode_literals from __future__ import absolute_import diff --git a/aiida/backends/sqlalchemy/migrations/versions/1b8ed3425af9_remove_legacy_workflows.py b/aiida/backends/sqlalchemy/migrations/versions/1b8ed3425af9_remove_legacy_workflows.py index d4049839c9..8b656e59e3 100644 --- a/aiida/backends/sqlalchemy/migrations/versions/1b8ed3425af9_remove_legacy_workflows.py +++ b/aiida/backends/sqlalchemy/migrations/versions/1b8ed3425af9_remove_legacy_workflows.py @@ -1,4 +1,12 @@ # -*- 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 """Remove legacy workflows @@ -7,6 +15,8 @@ Create Date: 2019-04-03 17:11:44.073582 """ +from __future__ import division +from __future__ import print_function from __future__ import absolute_import import sys import click diff --git a/aiida/backends/sqlalchemy/migrations/versions/3d6190594e19_remove_dbcomputer_enabled.py b/aiida/backends/sqlalchemy/migrations/versions/3d6190594e19_remove_dbcomputer_enabled.py index df1d9b40b6..b81a53fe59 100644 --- a/aiida/backends/sqlalchemy/migrations/versions/3d6190594e19_remove_dbcomputer_enabled.py +++ b/aiida/backends/sqlalchemy/migrations/versions/3d6190594e19_remove_dbcomputer_enabled.py @@ -1,4 +1,12 @@ # -*- 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 """Remove `DbComputer.enabled` diff --git a/aiida/backends/tests/orm/data/test_dict.py b/aiida/backends/tests/orm/data/test_dict.py index 6a16895bd0..1655d61766 100644 --- a/aiida/backends/tests/orm/data/test_dict.py +++ b/aiida/backends/tests/orm/data/test_dict.py @@ -1,4 +1,12 @@ # -*- 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 `Dict` class.""" from __future__ import division from __future__ import print_function diff --git a/aiida/backends/tests/parsers/__init__.py b/aiida/backends/tests/parsers/__init__.py index e69de29bb2..a7e3fad50c 100644 --- a/aiida/backends/tests/parsers/__init__.py +++ b/aiida/backends/tests/parsers/__init__.py @@ -0,0 +1,9 @@ +# -*- coding: utf-8 -*- +########################################################################### +# Copyright (c), The AiiDA team. All rights reserved. # +# This file is part of the AiiDA code. # +# # +# The code is hosted on GitHub at https://github.com/aiidateam/aiida_core # +# For further information on the license, see the LICENSE.txt file # +# For further information please visit http://www.aiida.net # +########################################################################### diff --git a/aiida/backends/tests/parsers/test_parser.py b/aiida/backends/tests/parsers/test_parser.py index 5af560b244..74daab7055 100644 --- a/aiida/backends/tests/parsers/test_parser.py +++ b/aiida/backends/tests/parsers/test_parser.py @@ -1,5 +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 # +########################################################################### """Test for the `Parser` base class.""" +from __future__ import division +from __future__ import print_function from __future__ import absolute_import from aiida import orm diff --git a/setup.json b/setup.json index c1180210a4..1ea8e17893 100644 --- a/setup.json +++ b/setup.json @@ -1,6 +1,6 @@ { "name": "aiida-core", - "version": "1.0.0b1", + "version": "1.0.0b2", "url": "http://www.aiida.net/", "license": "MIT License", "author": "The AiiDA team",