Prepare for the release 0.3.0

lsmo-epfl · Jan 10, 2019 · daf9774 · daf9774
1 parent d7e0f90
commit daf9774
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Showing 4 changed files with 10 additions and 13 deletions.
diff --git a/aiida_raspa/__init__.py b/aiida_raspa/__init__.py
@@ -8,6 +8,6 @@
 # For further information please visit http://www.aiida.net                  #
 ##############################################################################
 
-__version__ = "0.2.2"
+__version__ = "0.3.0"
 
 # EOF
diff --git a/aiida_raspa/parsers/__init__.py b/aiida_raspa/parsers/__init__.py
@@ -1,16 +1,7 @@
 # -*- 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/yakutovicha/aiida-raspa #
-# For further information on the license, see the LICENSE.txt file           #
-# For further information please visit http://www.aiida.net                  #
-##############################################################################
-
 from __future__ import absolute_import
 from six.moves import range
-__version__ = "0.2.2"
+__version__ = "0.3.0"
 
 import re
 from aiida.parsers.parser import Parser

diff --git a/examples/simple_calculations/test_raspa_blocked_pockets.py b/examples/simple_calculations/test_raspa_blocked_pockets.py
@@ -17,7 +17,12 @@
 @click.command('cli')
 @click.argument('codelabel')
 @click.option(
-    '--block_pockets', '-b', required=True, type=int, help='Block pockets')
+    '--block_pockets',
+    '-b',
+    required=True,
+    type=int,
+    help='Block pockets node, can be updained using'
+    ' test_raspa_attach_file/run_zeopp_block_pockets.py')
 @click.option('--submit', is_flag=True, help='Actually submit calculation')
 def main(codelabel, block_pockets, submit):
     code = test_and_get_code(codelabel, expected_code_type='raspa')

diff --git a/setup.json b/setup.json
@@ -8,7 +8,7 @@
     "classifiers": [
         "Programming Language :: Python"
     ],
-    "version": "0.2.2",
+    "version": "0.3.0",
     "setup_requires": ["reentry"],
     "install_requires": [
         "aiida >= 0.9"
@@ -32,4 +32,5 @@
 		    "prospector==1.1.5",
 		    "pylint==1.9.3"
 	    ]
+    }
 }