qepw and qepwimmigrant test working for both django and sqlalchemy. e…

…xpire_on_commit=False in the SqlaTestCase class

aiida/backends/sqlalchemy/tests/quantumespressopw.py

@@ -15,24 +15,28 @@
 __authors__ = "The AiiDA team."
 
 
-class QETestCase(SqlAlchemyTests):
+class TestQEPWInputGenerationSqla(SqlAlchemyTests, TestQEPWInputGeneration):
+    """
+    tests that are specific to Django
+    """
+
+    #The setupClass is overwritten to add specific objects
     @classmethod
     def setUpClass(cls):
-        super(QETestCase, cls).setUpClass()
+        super(TestQEPWInputGenerationSqla, cls).setUpClass()
+
         cls.calc_params = {
             'computer': cls.computer,
             'resources': {
                 'num_machines': 1,
                 'num_mpiprocs_per_machine': 1
             }
         }
-        cls.code = Code(remote_computer_exec=(cls.computer, '/x.x'))
+
+        cls.code = Code()
+        cls.code.set_remote_computer_exec((cls.computer, '/x.x'))
         cls.code.store()
 
 
-class TestQEPWInputGenerationSqla(QETestCase, TestQEPWInputGeneration):
-    """
-    tests that are specific to Django
-    """
     pass
 

aiida/backends/sqlalchemy/tests/quantumespressopwimmigrant.py

@@ -7,6 +7,7 @@
 from aiida.backends.sqlalchemy.tests.testbase import SqlAlchemyTests
 from aiida.orm.code import Code
 from aiida.backends.sqlalchemy.models.authinfo import DbAuthInfo
+import aiida.backends.sqlalchemy
 
 #Tests imports
 from aiida.backends.tests.quantumespressopwimmigrant import LocalSetup, \
@@ -31,7 +32,7 @@ class LocalTestCase(SqlAlchemyTests, LocalSetup):
     def setUpClass(cls):
         super(LocalTestCase, cls).setUpClass()
 
-        # Change transport type to local.
+        # Change transport type to local
         cls.computer.set_transport_type('local')
 
         # Configure authinfo for cls.computer and cls.user.
@@ -40,8 +41,9 @@ def setUpClass(cls):
         authinfo.set_auth_params({})
         authinfo.save()
 
-        # Set up a code linked to cls.computer. The path is just a fake string.
-        cls.code = Code(remote_computer_exec=(cls.computer, '/x.x')).store()
+        cls.code = Code()
+        cls.code.set_remote_computer_exec((cls.computer, '/x.x'))
+        cls.code.store()
 
 class TestPwImmigrantCalculationManualSqla(LocalTestCase,
                                         TestPwImmigrantCalculationManual):

aiida/backends/sqlalchemy/tests/test_runner.py

@@ -21,12 +21,13 @@ def find_classes(module_str):
 
 def run_tests():
     modules_str = [
-        # "aiida.backends.sqlalchemy.tests.query",
+     # "aiida.backends.sqlalchemy.tests.query",
         # "aiida.backends.sqlalchemy.tests.nodes",
         # "aiida.backends.sqlalchemy.tests.backup_script",
-        # "aiida.backends.sqlalchemy.tests.export_and_import",
-        "aiida.backends.sqlalchemy.tests.quantumespressopw",
-        "aiida.backends.sqlalchemy.tests.quantumespressopwimmigrant"
+        #  "aiida.backends.sqlalchemy.tests.export_and_import",
+         "aiida.backends.sqlalchemy.tests.nwchem",
+         "aiida.backends.sqlalchemy.tests.quantumespressopw",
+         "aiida.backends.sqlalchemy.tests.quantumespressopwimmigrant"
     ]
     for module_str in modules_str:
         # Dynamically importing the module that interests us

aiida/backends/sqlalchemy/tests/testbase.py

@@ -28,14 +28,14 @@
 __authors__ = "The AiiDA team."
 __version__ = "0.7.0"
 
-# Session = sessionmaker(expire_on_commit=False)
-Session = sessionmaker(expire_on_commit=True)
+Session = sessionmaker(expire_on_commit=False)
+# Session = sessionmaker(expire_on_commit=True)
 
 
 class SqlAlchemyTests(unittest.TestCase):
 
     # Specify the need to drop the table at the beginning of a test case
-    drop_all = False
+    drop_all = True
 
     test_session = None
 
@@ -91,6 +91,7 @@ def _create_computer(**kwargs):
         defaults.update(kwargs)
         return Computer(**defaults)
 
+
     @staticmethod
     def inject_computer(f):
         @functools.wraps(f)

aiida/backends/tests/quantumespressopwimmigrant.py

@@ -50,7 +50,7 @@
            if fnm.endswith('.in')]
 
 
-class LocalSetup():
+class LocalSetup(object):
     """
     Setup functions that are common to all backends
     """
@@ -186,7 +186,7 @@ def run_tests_on_calcs_with_prefixes(self, prefixes):
                         )
 
 
-class TestPwImmigrantCalculationManual():
+class TestPwImmigrantCalculationManual(object):
     """
     Tests for immigration, retrieval, and parsing of manual kpoint jobs.
     """
@@ -205,7 +205,7 @@ def test_manual(self):
         self.run_tests_on_calcs_with_prefixes(manual_prefixes)
 
 
-class TestPwImmigrantCalculationAutomatic():
+class TestPwImmigrantCalculationAutomatic(object):
     """
     Tests for immigration, retrieval, and parsing of automatic kpoint jobs.
     """
@@ -222,7 +222,7 @@ def test_automatic(self):
         self.run_tests_on_calcs_with_prefixes(automatic_prefixes)
 
 
-class TestPwImmigrantCalculationGamma():
+class TestPwImmigrantCalculationGamma(object):
     """
     Tests for immigration, retrieval, and parsing of gamma kpoint jobs.
     """

aiida/orm/implementation/django/node.py

@@ -2,20 +2,19 @@
 
 import copy
 
+from django.core.exceptions import ObjectDoesNotExist
 from django.db import IntegrityError, transaction
 from django.db.models import F
-from django.core.exceptions import ObjectDoesNotExist
 
-from aiida.orm.implementation.general.node import AbstractNode, _NO_DEFAULT
+from aiida.backends.djsite.db.models import DbLink
+from aiida.backends.djsite.utils import get_automatic_user
 from aiida.common.exceptions import (InternalError, ModificationNotAllowed,
                                      NotExistent, UniquenessError)
-from aiida.common.utils import get_new_uuid
 from aiida.common.folders import RepositoryFolder
-from aiida.common.links import LinkType
 from aiida.common.lang import override
-
-from aiida.backends.djsite.utils import get_automatic_user
-from aiida.backends.djsite.db.models import DbLink
+from aiida.common.links import LinkType
+from aiida.common.utils import get_new_uuid
+from aiida.orm.implementation.general.node import AbstractNode, _NO_DEFAULT
 
 __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."

aiida/orm/implementation/sqlalchemy/code.py

@@ -106,6 +106,7 @@ def set_remote_computer_exec(self, remote_computer_exec):
               remote_exec_path is the absolute path of the main executable on
               remote computer.
         """
+
         if (not isinstance(remote_computer_exec, (list, tuple))
             or len(remote_computer_exec) != 2):
             raise ValueError("remote_computer_exec must be a list or tuple "

aiida/orm/implementation/sqlalchemy/node.py

@@ -693,7 +693,10 @@ def store(self, with_transaction=True):
                 self._store_cached_input_links(with_transaction=False)
 
                 if with_transaction:
-                    self.dbnode.session.commit()
+                    try:
+                        self.dbnode.session.commit()
+                    except SQLAlchemyError as e:
+                        self.dbnode.session.rollback()
 
             # This is one of the few cases where it is ok to do a 'global'
             # except, also because I am re-raising the exception