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Add SPDX license identifier
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oschuett committed Apr 7, 2018
1 parent 6e5eb7f commit b0114d8
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7 changes: 7 additions & 0 deletions Dockerfile
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###############################################################################
# Copyright (c), The AiiDA-CP2K authors. #
# SPDX-License-Identifier: MIT #
# AiiDA-CP2K is hosted on GitHub at https://github.com/cp2k/aiida-cp2k #
# For further information on the license, see the LICENSE.txt file. #
###############################################################################

FROM ubuntu:rolling
USER root

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2 changes: 1 addition & 1 deletion LICENSE.txt
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MIT License

Copyright (c) 2018 AiiDA-CP2K developers group.
Copyright (c) 2018 The AiiDA-CP2K authors.

Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
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14 changes: 6 additions & 8 deletions aiida_cp2k/__init__.py
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# -*- 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/cp2k/aiida-cp2k #
# For further information on the license, see the LICENSE.txt file #
# For further information please visit http://www.aiida.net #
###########################################################################
###############################################################################
# Copyright (c), The AiiDA-CP2K authors. #
# SPDX-License-Identifier: MIT #
# AiiDA-CP2K is hosted on GitHub at https://github.com/cp2k/aiida-cp2k #
# For further information on the license, see the LICENSE.txt file. #
###############################################################################

__version__ = "0.8.1"

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14 changes: 6 additions & 8 deletions aiida_cp2k/calculations/__init__.py
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# -*- 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/cp2k/aiida-cp2k #
# For further information on the license, see the LICENSE.txt file #
# For further information please visit http://www.aiida.net #
###########################################################################
###############################################################################
# Copyright (c), The AiiDA-CP2K authors. #
# SPDX-License-Identifier: MIT #
# AiiDA-CP2K is hosted on GitHub at https://github.com/cp2k/aiida-cp2k #
# For further information on the license, see the LICENSE.txt file. #
###############################################################################

from aiida.orm.calculation.job import JobCalculation
from aiida.common.utils import classproperty
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14 changes: 6 additions & 8 deletions aiida_cp2k/parsers/__init__.py
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# -*- 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/cp2k/aiida-cp2k #
# For further information on the license, see the LICENSE.txt file #
# For further information please visit http://www.aiida.net #
###########################################################################
###############################################################################
# Copyright (c), The AiiDA-CP2K authors. #
# SPDX-License-Identifier: MIT #
# AiiDA-CP2K is hosted on GitHub at https://github.com/cp2k/aiida-cp2k #
# For further information on the license, see the LICENSE.txt file. #
###############################################################################

import re
import ase
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8 changes: 8 additions & 0 deletions setup.py
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# -*- coding: utf-8 -*-
###############################################################################
# Copyright (c), The AiiDA-CP2K authors. #
# SPDX-License-Identifier: MIT #
# AiiDA-CP2K is hosted on GitHub at https://github.com/cp2k/aiida-cp2k #
# For further information on the license, see the LICENSE.txt file. #
###############################################################################

from setuptools import setup, find_packages
import json

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6 changes: 6 additions & 0 deletions test/configure_aiida.sh
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#!/bin/bash -e
###############################################################################
# Copyright (c), The AiiDA-CP2K authors. #
# SPDX-License-Identifier: MIT #
# AiiDA-CP2K is hosted on GitHub at https://github.com/cp2k/aiida-cp2k #
# For further information on the license, see the LICENSE.txt file. #
###############################################################################

set -x

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6 changes: 6 additions & 0 deletions test/run_tests.sh
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#!/bin/bash -e
###############################################################################
# Copyright (c), The AiiDA-CP2K authors. #
# SPDX-License-Identifier: MIT #
# AiiDA-CP2K is hosted on GitHub at https://github.com/cp2k/aiida-cp2k #
# For further information on the license, see the LICENSE.txt file. #
###############################################################################

set -x
flake8 ../
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15 changes: 7 additions & 8 deletions test/test_dft.py
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#!/usr/bin/env python2
# -*- 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/cp2k/aiida-cp2k #
# For further information on the license, see the LICENSE.txt file #
# For further information please visit http://www.aiida.net #
###########################################################################
###############################################################################
# Copyright (c), The AiiDA-CP2K authors. #
# SPDX-License-Identifier: MIT #
# AiiDA-CP2K is hosted on GitHub at https://github.com/cp2k/aiida-cp2k #
# For further information on the license, see the LICENSE.txt file. #
###############################################################################

from __future__ import print_function

import sys
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15 changes: 7 additions & 8 deletions test/test_failure.py
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#!/usr/bin/env python2
# -*- 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/cp2k/aiida-cp2k #
# For further information on the license, see the LICENSE.txt file #
# For further information please visit http://www.aiida.net #
###########################################################################
###############################################################################
# Copyright (c), The AiiDA-CP2K authors. #
# SPDX-License-Identifier: MIT #
# AiiDA-CP2K is hosted on GitHub at https://github.com/cp2k/aiida-cp2k #
# For further information on the license, see the LICENSE.txt file. #
###############################################################################

from __future__ import print_function

import sys
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15 changes: 7 additions & 8 deletions test/test_geopt.py
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#!/usr/bin/env python2
# -*- 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/cp2k/aiida-cp2k #
# For further information on the license, see the LICENSE.txt file #
# For further information please visit http://www.aiida.net #
###########################################################################
###############################################################################
# Copyright (c), The AiiDA-CP2K authors. #
# SPDX-License-Identifier: MIT #
# AiiDA-CP2K is hosted on GitHub at https://github.com/cp2k/aiida-cp2k #
# For further information on the license, see the LICENSE.txt file. #
###############################################################################

from __future__ import print_function

import sys
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15 changes: 7 additions & 8 deletions test/test_mm.py
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#!/usr/bin/env python2
# -*- 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/cp2k/aiida-cp2k #
# For further information on the license, see the LICENSE.txt file #
# For further information please visit http://www.aiida.net #
###########################################################################
###############################################################################
# Copyright (c), The AiiDA-CP2K authors. #
# SPDX-License-Identifier: MIT #
# AiiDA-CP2K is hosted on GitHub at https://github.com/cp2k/aiida-cp2k #
# For further information on the license, see the LICENSE.txt file. #
###############################################################################

from __future__ import print_function

import sys
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15 changes: 7 additions & 8 deletions test/test_no_struct.py
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#!/usr/bin/env python2
# -*- 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/cp2k/aiida-cp2k #
# For further information on the license, see the LICENSE.txt file #
# For further information please visit http://www.aiida.net #
###########################################################################
###############################################################################
# Copyright (c), The AiiDA-CP2K authors. #
# SPDX-License-Identifier: MIT #
# AiiDA-CP2K is hosted on GitHub at https://github.com/cp2k/aiida-cp2k #
# For further information on the license, see the LICENSE.txt file. #
###############################################################################

from __future__ import print_function

import sys
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15 changes: 7 additions & 8 deletions test/test_precision.py
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#!/usr/bin/env python2
# -*- 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/cp2k/aiida-cp2k #
# For further information on the license, see the LICENSE.txt file #
# For further information please visit http://www.aiida.net #
###########################################################################
###############################################################################
# Copyright (c), The AiiDA-CP2K authors. #
# SPDX-License-Identifier: MIT #
# AiiDA-CP2K is hosted on GitHub at https://github.com/cp2k/aiida-cp2k #
# For further information on the license, see the LICENSE.txt file. #
###############################################################################

from __future__ import print_function

import sys
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15 changes: 7 additions & 8 deletions test/test_restart.py
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#!/usr/bin/env python2
# -*- 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/cp2k/aiida-cp2k #
# For further information on the license, see the LICENSE.txt file #
# For further information please visit http://www.aiida.net #
###########################################################################
###############################################################################
# Copyright (c), The AiiDA-CP2K authors. #
# SPDX-License-Identifier: MIT #
# AiiDA-CP2K is hosted on GitHub at https://github.com/cp2k/aiida-cp2k #
# For further information on the license, see the LICENSE.txt file. #
###############################################################################

from __future__ import print_function

import re
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15 changes: 7 additions & 8 deletions test/test_travis_tag.py
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#!/usr/bin/env python2
# -*- 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/cp2k/aiida-cp2k #
# For further information on the license, see the LICENSE.txt file #
# For further information please visit http://www.aiida.net #
###########################################################################
###############################################################################
# Copyright (c), The AiiDA-CP2K authors. #
# SPDX-License-Identifier: MIT #
# AiiDA-CP2K is hosted on GitHub at https://github.com/cp2k/aiida-cp2k #
# For further information on the license, see the LICENSE.txt file. #
###############################################################################

from __future__ import print_function

import os
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15 changes: 7 additions & 8 deletions test/test_version.py
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#!/usr/bin/env python2
# -*- 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/cp2k/aiida-cp2k #
# For further information on the license, see the LICENSE.txt file #
# For further information please visit http://www.aiida.net #
###########################################################################
###############################################################################
# Copyright (c), The AiiDA-CP2K authors. #
# SPDX-License-Identifier: MIT #
# AiiDA-CP2K is hosted on GitHub at https://github.com/cp2k/aiida-cp2k #
# For further information on the license, see the LICENSE.txt file. #
###############################################################################

from __future__ import print_function

import sys
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14 changes: 6 additions & 8 deletions test/utils.py
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@@ -1,13 +1,11 @@
#!/usr/bin/env python2
# -*- 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/cp2k/aiida-cp2k #
# For further information on the license, see the LICENSE.txt file #
# For further information please visit http://www.aiida.net #
###########################################################################
###############################################################################
# Copyright (c), The AiiDA-CP2K authors. #
# SPDX-License-Identifier: MIT #
# AiiDA-CP2K is hosted on GitHub at https://github.com/cp2k/aiida-cp2k #
# For further information on the license, see the LICENSE.txt file. #
###############################################################################

from __future__ import print_function

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