Merge branch 'develop' into issue_4356_group_delete_docstring

.ci/docker-rabbitmq.yml

@@ -0,0 +1,29 @@
+# A small configuration for use in local CI testing,
+# if you wish to control the rabbitmq used.
+
+# Simply install docker, then run:
+# $ docker-compose -f .ci/docker-rabbitmq.yml up -d
+
+# and to power down, after testing:
+# $ docker-compose -f .ci/docker-rabbitmq.yml down
+
+# you can monitor rabbitmq use at: http://localhost:15672
+
+version: '3.4'
+
+services:
+
+  rabbit:
+    image: rabbitmq:3.8.3-management
+    container_name: aiida-rmq
+    environment:
+        RABBITMQ_DEFAULT_USER: guest
+        RABBITMQ_DEFAULT_PASS: guest
+    ports:
+      - '5672:5672'
+      - '15672:15672'
+    healthcheck:
+      test: rabbitmq-diagnostics -q ping
+      interval: 30s
+      timeout: 30s
+      retries: 5

.ci/polish/cli.py

@@ -114,23 +114,23 @@ def launch(expression, code, use_calculations, use_calcfunctions, sleep, timeout
     valid, error = validate(expression)
 
     if not valid:
-        click.echo("the expression '{}' is invalid: {}".format(expression, error))
+        click.echo(f"the expression '{expression}' is invalid: {error}")
         sys.exit(1)
 
-    filename = 'polish_{}.py'.format(str(uuid.uuid4().hex))
+    filename = f'polish_{str(uuid.uuid4().hex)}.py'
     evaluated = evaluate(expression, modulo)
     outlines, stack = generate_outlines(expression)
     outlines_string = format_outlines(outlines, use_calculations, use_calcfunctions)
     write_workchain(outlines_string, filename=filename)
 
-    click.echo('Expression: {}'.format(expression))
+    click.echo(f'Expression: {expression}')
 
     if not dry_run:
         try:
-            workchain_module = 'polish_workchains.{}'.format(filename.replace('.py', ''))
+            workchain_module = f"polish_workchains.{filename.replace('.py', '')}"
             workchains = importlib.import_module(workchain_module)
         except ImportError:
-            click.echo('could not import the {} module'.format(workchain_module))
+            click.echo(f'could not import the {workchain_module} module')
             sys.exit(1)
 
         inputs = {'modulo': Int(modulo), 'operands': Str(' '.join(stack))}
@@ -153,26 +153,25 @@ def launch(expression, code, use_calculations, use_calcfunctions, sleep, timeout
             if timed_out:
                 click.secho('Failed: ', fg='red', bold=True, nl=False)
                 click.secho(
-                    'the workchain<{}> did not finish in time and the operation timed out'.format(workchain.pk),
-                    bold=True
+                    f'the workchain<{workchain.pk}> did not finish in time and the operation timed out', bold=True
                 )
                 sys.exit(1)
 
             try:
                 result = workchain.outputs.result
             except AttributeError:
                 click.secho('Failed: ', fg='red', bold=True, nl=False)
-                click.secho('the workchain<{}> did not return a result output node'.format(workchain.pk), bold=True)
+                click.secho(f'the workchain<{workchain.pk}> did not return a result output node', bold=True)
                 sys.exit(1)
 
         else:
             results, workchain = run_get_node(workchains.Polish00WorkChain, **inputs)
             result = results['result']
 
-    click.echo('Evaluated : {}'.format(evaluated))
+    click.echo(f'Evaluated : {evaluated}')
 
     if not dry_run:
-        click.echo('Workchain : {} <{}>'.format(result, workchain.pk))
+        click.echo(f'Workchain : {result} <{workchain.pk}>')
 
         if result != evaluated:
             click.secho('Failed: ', fg='red', bold=True, nl=False)

.ci/polish/lib/expression.py

@@ -73,7 +73,7 @@ def validate(expression):
     try:
         symbols = expression.split()
     except ValueError as exception:
-        return False, 'failed to split the expression into symbols: {}'.format(exception)
+        return False, f'failed to split the expression into symbols: {exception}'
 
     while len(symbols) > 1:
         try:
@@ -85,19 +85,19 @@ def validate(expression):
         try:
             operand = int(operand)
         except ValueError:
-            return False, 'the operand {} is not a valid integer'.format(operand)
+            return False, f'the operand {operand} is not a valid integer'
 
         if operator not in OPERATORS.keys():
-            return False, 'the operator {} is not supported'.format(operator)
+            return False, f'the operator {operator} is not supported'
 
         if OPERATORS[operator] is operators.pow and operand < 0:
-            return False, 'a negative operand {} was found for the ^ operator, which is not allowed'.format(operand)
+            return False, f'a negative operand {operand} was found for the ^ operator, which is not allowed'
 
     # At this point the symbols list should only contain the initial operand
     try:
         operand = int(symbols.pop())
     except ValueError:
-        return False, 'the operand {} is not a valid integer'.format(operand)
+        return False, f'the operand {operand} is not a valid integer'
 
     if symbols:
         return False, 'incorrect number of symbols found, should contain N operands followed by (N - 1) operators'

.ci/polish/lib/workchain.py

@@ -231,15 +231,15 @@ def write_workchain(outlines, directory=None, filename=None):
 
             outline_string = ''
             for subline in outline.split('\n'):
-                outline_string += '\t\t\t{}\n'.format(subline)
+                outline_string += f'\t\t\t{subline}\n'
 
             if counter == len(outlines) - 1:
                 child_class = None
             else:
-                child_class = 'Polish{:02d}WorkChain'.format(counter + 1)
+                child_class = f'Polish{counter + 1:02d}WorkChain'
 
             subs = {
-                'class_name': 'Polish{:02d}WorkChain'.format(counter),
+                'class_name': f'Polish{counter:02d}WorkChain',
                 'child_class': child_class,
                 'outline': outline_string,
             }