Backport postgres improvements to deal with setups without sudo (#2433)

Also updated `yapf` to recent version

.prospector.yaml

@@ -1,14 +1,16 @@
+max-line-length: 120
+
 ignore-paths:
     - doc
     - examples
     - test
     - utils
 
-pylint:
-    max-line-length: 140
-
 pyflakes:
   run: false
 
+pep8:
+  run: false
+
 mccabe:
   run: false

aiida/backends/tests/verdi_commands.py

@@ -125,23 +125,27 @@ def test_calculation_list(self):
             calc_cmd.calculation_list()
 
         out_str = ''.join(output)
-        self.assertTrue(calc_states.TOSUBMIT in out_str,
-                        "The TOSUBMIT calculations should be part fo the "
-                        "simple calculation list.")
-        self.assertTrue(calc_states.COMPUTED in out_str,
-                        "The COMPUTED calculations should be part fo the "
-                        "simple calculation list.")
-        self.assertFalse(calc_states.FINISHED in out_str,
-                         "The FINISHED calculations should not be part fo the "
-                         "simple calculation list.")
+        self.assertTrue(
+            calc_states.TOSUBMIT in out_str,
+            "The TOSUBMIT calculations should be part fo the "
+            "simple calculation list.")
+        self.assertTrue(
+            calc_states.COMPUTED in out_str,
+            "The COMPUTED calculations should be part fo the "
+            "simple calculation list.")
+        self.assertFalse(
+            calc_states.FINISHED in out_str,
+            "The FINISHED calculations should not be part fo the "
+            "simple calculation list.")
 
         with Capturing() as output:
             calc_cmd.calculation_list(*['-a'])
 
         out_str = ''.join(output)
-        self.assertTrue(calc_states.FINISHED in out_str,
-                        "The FINISHED calculations should be part fo the "
-                        "simple calculation list.")
+        self.assertTrue(
+            calc_states.FINISHED in out_str,
+            "The FINISHED calculations should be part fo the "
+            "simple calculation list.")
 
 
 class TestVerdiCodeCommands(AiidaTestCase):
@@ -193,12 +197,14 @@ def test_code_list(self):
         with Capturing() as output:
             code_cmd.code_list()
         out_str_1 = ''.join(output)
-        self.assertTrue(computer_name_1 in out_str_1,
-                        "The computer 1 name should be included into this list")
+        self.assertTrue(
+            computer_name_1 in out_str_1,
+            "The computer 1 name should be included into this list")
         self.assertTrue(code_name_1 in out_str_1,
                         "The code 1 name should be included into this list")
-        self.assertTrue(computer_name_2 in out_str_1,
-                        "The computer 2 name should be included into this list")
+        self.assertTrue(
+            computer_name_2 in out_str_1,
+            "The computer 2 name should be included into this list")
         self.assertTrue(code_name_2 in out_str_1,
                         "The code 2 name should be included into this list")
 
@@ -207,16 +213,18 @@ def test_code_list(self):
         with Capturing() as output:
             code_cmd.code_list(*['-a'])
         out_str_2 = ''.join(output)
-        self.assertEqual(out_str_1, out_str_2,
-                         "verdi code list & verdi code list -a should provide "
-                         "the same output in this experiment.")
+        self.assertEqual(
+            out_str_1, out_str_2,
+            "verdi code list & verdi code list -a should provide "
+            "the same output in this experiment.")
 
         # Run a verdi code list -c, capture the output and check the result
         with Capturing() as output:
             code_cmd.code_list(*['-c', computer_name_1])
         out_str = ''.join(output)
-        self.assertTrue(computer_name_1 in out_str,
-                        "The computer 1 name should be included into this list")
+        self.assertTrue(
+            computer_name_1 in out_str,
+            "The computer 1 name should be included into this list")
         self.assertFalse(
             computer_name_2 in out_str,
             "The computer 2 name should not be included into this list")
@@ -228,8 +236,9 @@ def test_code_list(self):
         with Capturing() as output:
             code_cmd.code_list()
         out_str_3 = ''.join(output)
-        self.assertTrue(computer_name_1 in out_str_3,
-                        "The computer 1 name should be included into this list")
+        self.assertTrue(
+            computer_name_1 in out_str_3,
+            "The computer 1 name should be included into this list")
         self.assertTrue(code_name_1 in out_str_3,
                         "The code 1 name should be included into this list")
         self.assertFalse(
@@ -665,12 +674,12 @@ def test_trajectory_simple_listing(self):
 
             for nid in self.cmd_to_nodeid_map[sub_cmd]:
                 if str(nid) not in out_str:
-                    self.fail("The data objects ({}) with ids {} and {} "
-                              "were not found. "
-                              .format(sub_cmd,
-                                      str(self.cmd_to_nodeid_map[sub_cmd][0]),
-                                      str(self.cmd_to_nodeid_map[sub_cmd][1])) +
-                              "The output was {}".format(out_str))
+                    self.fail(
+                        "The data objects ({}) with ids {} and {} "
+                        "were not found. ".format(
+                            sub_cmd, str(self.cmd_to_nodeid_map[sub_cmd][0]),
+                            str(self.cmd_to_nodeid_map[sub_cmd][1])) +
+                        "The output was {}".format(out_str))
 
     def test_trajectory_all_user_listing(self):
         from aiida.cmdline.commands.data import _Bands
@@ -742,10 +751,10 @@ def test_trajectory_group_listing(self):
         from aiida.cmdline.commands.data import _Cif
         from aiida.cmdline.commands.data import _Trajectory
 
-        args_to_test = [['-g', self.group_name], [
-            '--group-name', self.group_name
-        ], ['-G', str(self.group_id)], ['--group-pk',
-                                        str(self.group_id)]]
+        args_to_test = [['-g', self.group_name],
+                        ['--group-name', self.group_name],
+                        ['-G', str(self.group_id)],
+                        ['--group-pk', str(self.group_id)]]
 
         sub_cmds = [_Bands, _Structure, _Cif, _Trajectory]
         for sub_cmd in sub_cmds:
@@ -755,8 +764,8 @@ def test_trajectory_group_listing(self):
                     curr_scmd.list(*arg)
                 out_str = ' '.join(output)
 
-                if str(self.cmd_to_nodeid_map_for_groups[
-                        sub_cmd]) not in out_str:
+                if str(self.
+                       cmd_to_nodeid_map_for_groups[sub_cmd]) not in out_str:
                     self.fail(
                         "The data object ({}) with id {} "
                         "was not found. ".format(

aiida/control/postgres.py

@@ -15,6 +15,7 @@
 installed by default on various systems. If the postgres setup is not the
 default installation, additional information needs to be provided.
 """
+
 try:
     import subprocess32 as subprocess
 except ImportError:
@@ -64,17 +65,24 @@ class Postgres(object):
             print('setup sucessful!')
     """
 
-    def __init__(self, port=None, interactive=False, quiet=True):
+    def __init__(self,
+                 host='localhost',
+                 port=None,
+                 interactive=False,
+                 quiet=True):
         self.interactive = interactive
         self.quiet = quiet
         self.pg_execute = _pg_execute_not_connected
         self.dbinfo = {}
-        if port:
-            self.set_port(port)
         self.setup_fail_callback = None
         self.setup_fail_counter = 0
         self.setup_max_tries = 1
 
+        if host:
+            self.set_host(host)
+        if port:
+            self.set_port(port)
+
     def set_setup_fail_callback(self, callback):
         """
         Set a callback to be called when setup cannot be determined automatically
@@ -83,6 +91,10 @@ def set_setup_fail_callback(self, callback):
         """
         self.setup_fail_callback = callback
 
+    def set_host(self, host):
+        """Set the host manually"""
+        self.dbinfo['host'] = host
+
     def set_port(self, port):
         """Set the port manually"""
         self.dbinfo['port'] = str(port)
@@ -106,13 +118,19 @@ def determine_setup(self):
                 self.dbinfo = local_dbinfo
                 break
 
-        # This will work for the default Debian postgres setup
+        # This will work for the default Debian postgres setup, assuming that sudo is available to the user
         if self.pg_execute == _pg_execute_not_connected:
-            dbinfo['user'] = 'postgres'
-            if _try_subcmd(
-                    non_interactive=bool(not self.interactive), **dbinfo):
-                self.pg_execute = _pg_execute_sh
-                self.dbinfo = dbinfo
+            # Check if the user can find the sudo command
+            if _sudo_exists():
+                dbinfo['user'] = 'postgres'
+                if _try_subcmd(
+                        non_interactive=bool(not self.interactive), **dbinfo):
+                    self.pg_execute = _pg_execute_sh
+                    self.dbinfo = dbinfo
+            else:
+                click.echo(
+                    'Warning: Could not find `sudo`. No way of connecting to the database could be found.'
+                )
 
         # This is to allow for any other setup
         if self.pg_execute == _pg_execute_not_connected:
@@ -192,9 +210,9 @@ def db_exists(self, dbname):
     def _no_setup_detected(self):
         """Print a warning message and calls the failed setup callback"""
         message = '\n'.join([
-            'Detected no known postgres setup, some information is needed to create the aiida database and grant aiida access to it.',
-            'If you feel unsure about the following parameters, first check if postgresql is installed.',
-            'If postgresql is not installed please exit and install it, then run verdi quicksetup again.',
+            'Detected no known postgres setup, some information is needed to create the aiida database and grant ',
+            'aiida access to it. If you feel unsure about the following parameters, first check if postgresql is ',
+            'installed. If postgresql is not installed please exit and install it, then run verdi quicksetup again.',
             'If postgresql is installed, please ask your system manager to provide you with the following parameters:'
         ])
         if not self.quiet:
@@ -269,6 +287,22 @@ def _try_connect(**kwargs):
     return success
 
 
+def _sudo_exists():
+    """
+    Check that the sudo command can be found
+
+    :return: True if successful, False otherwise
+    """
+    try:
+        subprocess.check_output(['sudo', '-V'])
+    except subprocess.CalledProcessError:
+        return False
+    except OSError:
+        return False
+
+    return True
+
+
 def _try_subcmd(**kwargs):
     """
     try to run psql in a subprocess.
@@ -286,12 +320,12 @@ def _try_subcmd(**kwargs):
 
 
 def _pg_execute_psyco(command, **kwargs):
-    '''
+    """
     executes a postgres commandline through psycopg2
 
     :param command: A psql command line as a str
     :param kwargs: will be forwarded to psycopg2.connect
-    '''
+    """
     from psycopg2 import connect, ProgrammingError
     conn = connect(**kwargs)
     conn.autocommit = True
@@ -316,7 +350,7 @@ def _pg_execute_sh(command, user='postgres', **kwargs):
     :param kwargs: connection details to forward to psql, signature as in psycopg2.connect
 
     To stop `sudo` from asking for a password and fail if one is required,
-    pass `noninteractive=True` as a kwarg.
+    pass `non_interactive=True` as a kwarg.
     """
     options = ''
     database = kwargs.pop('database', None)
@@ -330,7 +364,7 @@ def _pg_execute_sh(command, user='postgres', **kwargs):
     if port:
         options += '-p {}'.format(port)
 
-    ## build command line
+    # Build command line
     sudo_cmd = ['sudo']
     non_interactive = kwargs.pop('non_interactive', None)
     if non_interactive:
@@ -343,10 +377,9 @@ def _pg_execute_sh(command, user='postgres', **kwargs):
     ]
     sudo_su_psql = sudo_cmd + su_cmd + psql_cmd
     result = subprocess.check_output(sudo_su_psql, **kwargs)
+    result = result.decode('utf-8').strip().split('\n')
+    result = [i for i in result if i]
 
-    if isinstance(result, str):
-        result = result.strip().split('\n')
-        result = [i for i in result if i]
     return result
 
 

aiida/orm/data/cif.py

@@ -364,8 +364,8 @@ class CifData(SinglefileData):
         when setting ``ase`` or ``values``, a physical CIF file is generated
         first, the values are updated from the physical CIF file.
     """
-    _set_incompatibilities = [('ase', 'file'), ('ase', 'values'), ('file',
-                                                                   'values')]
+    _set_incompatibilities = [('ase', 'file'), ('ase', 'values'),
+                              ('file', 'values')]
     _scan_types = ['standard', 'flex']
     _parse_policies = ['eager', 'lazy']
 
@@ -453,8 +453,8 @@ def get_or_create(cls, filename, use_first=False, store_cif=True):
                 else:
                     raise ValueError("More than one copy of a CIF file "
                                      "with the same MD5 has been found in "
-                                     "the DB. pks={}".format(
-                                         ",".join([str(i.pk) for i in cifs])))
+                                     "the DB. pks={}".format(",".join(
+                                         [str(i.pk) for i in cifs])))
             else:
                 return cifs[0], False
 

aiida/restapi/resources.py

@@ -24,9 +24,7 @@ def __init__(self, **kwargs):
         # Configure utils
         utils_conf_keys = ('PREFIX', 'PERPAGE_DEFAULT', 'LIMIT_DEFAULT')
         self.utils_confs = {
-            k: kwargs[k]
-            for k in utils_conf_keys
-            if k in kwargs
+            k: kwargs[k] for k in utils_conf_keys if k in kwargs
         }
         self.utils = Utils(**self.utils_confs)
 
@@ -103,9 +101,7 @@ def __init__(self, **kwargs):
         # Configure utils
         utils_conf_keys = ('PREFIX', 'PERPAGE_DEFAULT', 'LIMIT_DEFAULT')
         self.utils_confs = {
-            k: kwargs[k]
-            for k in utils_conf_keys
-            if k in kwargs
+            k: kwargs[k] for k in utils_conf_keys if k in kwargs
         }
         self.utils = Utils(**self.utils_confs)
         self.method_decorators = {'get': kwargs.get('get_decorators', [])}
@@ -205,9 +201,7 @@ def __init__(self, **kwargs):
         # Configure utils
         utils_conf_keys = ('PREFIX', 'PERPAGE_DEFAULT', 'LIMIT_DEFAULT')
         self.utils_confs = {
-            k: kwargs[k]
-            for k in utils_conf_keys
-            if k in kwargs
+            k: kwargs[k] for k in utils_conf_keys if k in kwargs
         }
         self.utils = Utils(**self.utils_confs)
         self.method_decorators = {'get': kwargs.get('get_decorators', [])}

docs/update_req_for_rtd.py

@@ -26,15 +26,15 @@ def update_req_for_rtd(pre_commit):
 
     import setup_requirements
 
-    reqs = set(
-        setup_requirements.extras_require['docs'] + setup_requirements.
-        extras_require['rest'] + setup_requirements.extras_require['testing'] +
-        setup_requirements.extras_require[':python_version < "3"'] +
-        # To avoid that it requires also the postgres libraries
-        [
-            p for p in setup_requirements.install_requires
-            if not p.startswith('psycopg2')
-        ])
+    reqs = set(setup_requirements.extras_require['docs'] +
+               setup_requirements.extras_require['rest'] +
+               setup_requirements.extras_require['testing'] +
+               setup_requirements.extras_require[':python_version < "3"'] +
+               # To avoid that it requires also the postgres libraries
+               [
+                   p for p in setup_requirements.install_requires
+                   if not p.startswith('psycopg2')
+               ])
     reqs_str = "\n".join(sorted(reqs))
 
     basename = 'requirements_for_rtd.txt'