[pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

pyproject.toml

@@ -118,6 +118,8 @@ requires-python = '>=3.9'
 'core.structure' = 'aiida.orm.nodes.data.structure:StructureData'
 'core.upf' = 'aiida.orm.nodes.data.upf:UpfData'
 
+[project.entry-points.'aiida.exporters']
+
 [project.entry-points.'aiida.groups']
 'core' = 'aiida.orm.groups:Group'
 'core.auto' = 'aiida.orm.groups:AutoGroup'
@@ -180,10 +182,6 @@ requires-python = '>=3.9'
 'core.arithmetic.add_multiply' = 'aiida.workflows.arithmetic.add_multiply:add_multiply'
 'core.arithmetic.multiply_add' = 'aiida.workflows.arithmetic.multiply_add:MultiplyAddWorkChain'
 
-[project.entry-points.'aiida.exporters']
-# 'core.arithmetic.add_multiply' = 'aiida.workflows.arithmetic.add_multiply:add_multiply'
-# 'core.arithmetic.multiply_add' = 'aiida.workflows.arithmetic.multiply_add:MultiplyAddWorkChain'
-
 [project.optional-dependencies]
 atomic_tools = [
   'PyCifRW~=4.4',

src/aiida/cmdline/commands/cmd_data/__init__.py

@@ -9,14 +9,15 @@
 """The `verdi data` command line interface."""
 
 from aiida.cmdline.commands.cmd_verdi import verdi
-from aiida.cmdline.utils.pluginable import Pluginable
 from aiida.cmdline.params import arguments, options, types
+from aiida.cmdline.utils.pluginable import Pluginable
 
 
 @verdi.group('data', entry_point_group='aiida.cmdline.data', cls=Pluginable)
 def verdi_data():
     """Inspect, create and manage data nodes."""
 
+
 @verdi_data.command('dump')
 @arguments.DATA()
 @options.PATH()
@@ -27,22 +28,17 @@ def data_dump(
     path,
     overwrite,
 ) -> None:
-
-    """Dump an arbitrary `Data` node entity to disk.
-
-    """
+    """Dump an arbitrary `Data` node entity to disk."""
     from aiida.tools.dumping.data import DataDumper
 
-    data_dumper = DataDumper(
-        overwrite=overwrite
-    )
+    data_dumper = DataDumper(overwrite=overwrite)
 
     print(type(data), data)
     # `data` comes as a tuple
     if len(data) > 1:
-        raise NotImplementedError("Dumping of multiple data nodes not yet supported.")
+        raise NotImplementedError('Dumping of multiple data nodes not yet supported.')
 
     # Probs shouldn't do that. Quick hack.
-    data=data[0]
+    data = data[0]
 
     data_dumper.dump(data_node=data, output_path=path)

src/aiida/cmdline/commands/cmd_group.py

@@ -633,6 +633,7 @@ def group_path_ls(path, type_string, recursive, as_table, no_virtual, with_descr
                 continue
             echo.echo(child.path, bold=not child.is_virtual)
 
+
 @verdi_group.command('dump')
 @arguments.GROUP()
 # @with_dbenv()
@@ -659,10 +660,8 @@ def group_path_ls(path, type_string, recursive, as_table, no_virtual, with_descr
 #     help='Add a filter to show only groups for which the label contains STRING.',
 # )
 def group_dump(group):
-
     print(group)
     from aiida.tools.dumping.group import GroupDumper
 
     group_dumper = GroupDumper()
     group_dumper.dump(group)
-

src/aiida/cmdline/commands/cmd_process.py

@@ -670,10 +670,7 @@ def process_dump(
 
     try:
         dump_path = process_dumper.dump(
-            process_node=process,
-            output_path=path,
-            include_attributes=include_attributes,
-            include_extras=include_extras
+            process_node=process, output_path=path, include_attributes=include_attributes, include_extras=include_extras
         )
     except FileExistsError:
         echo.echo_critical(

src/aiida/cmdline/commands/cmd_profile.py

@@ -271,6 +271,7 @@ def profile_delete(force, delete_data, profiles):
         get_config().delete_profile(profile.name, delete_storage=delete_data)
         echo.echo_success(f'Profile `{profile.name}` was deleted.')
 
+
 @verdi_profile.command('dump')
 @options.PATH()
 @arguments.PROFILE(default=defaults.get_default_profile)

src/aiida/cmdline/commands/cmd_storage.py

@@ -8,17 +8,17 @@
 ###########################################################################
 """`verdi storage` commands."""
 
-import sys
 import pathlib
+import sys
 
 import click
 from click_spinner import spinner
 
 from aiida.cmdline.commands.cmd_verdi import verdi
-from aiida.cmdline.params import options, arguments
-from aiida.cmdline.utils import decorators, echo, defaults
+from aiida.cmdline.params import arguments, options
+from aiida.cmdline.utils import decorators, defaults, echo
 from aiida.common import exceptions
-from aiida.tools.dumping import ProfileDumper, CollectionDumper, ProcessDumper, DataDumper, GroupDumper
+from aiida.tools.dumping import GroupDumper
 
 
 @verdi.group('storage')
@@ -246,15 +246,15 @@ def storage_backup(ctx, manager, dest: str, keep: int):
 # TODO: Follow API of `verdi archive create`
 # ? Specify groups via giving the groups, or just enabling "groups" and then all are dumped?
 # ? Provide some mechanism to allow for both, e.g. if no argument is provided, all groups are dumped
-@verdi_storage.command("mirror")
+@verdi_storage.command('mirror')
 @arguments.PROFILE(default=defaults.get_default_profile)
 # Custom `--path` option, otherwise conflicting `-p` with `profile` argument
 @click.option(
-    "--path",
+    '--path',
     type=click.Path(path_type=pathlib.Path),
     show_default=True,
     default=None,
-    help="Base path for operations that write to disk.",
+    help='Base path for operations that write to disk.',
 )
 # @options.PATH()
 @options.ALL()
@@ -272,52 +272,40 @@ def storage_backup(ctx, manager, dest: str, keep: int):
 #     help='Dump all profile data, overwriting existing files.',
 # )
 @click.option(
-    "-p",
-    "--process-only",
+    '-p',
+    '--process-only',
     is_flag=True,
     default=False,
-    help="Dump only processes, no explicit data nodes",
+    help='Dump only processes, no explicit data nodes',
 )
 @click.option(
-    "-d",
-    "--data-only",
+    '-d',
+    '--data-only',
     is_flag=True,
     default=False,
-    help="Dump only data nodes, no processes",
+    help='Dump only data nodes, no processes',
 )
 def archive_mirror(
-    profile,
-    path,
-    all_entries,
-    nodes,
-    groups,
-    codes,
-    computers,
-    also_raw,
-    also_rich,
-    process_only,
-    data_only,
-    **kwargs
+    profile, path, all_entries, nodes, groups, codes, computers, also_raw, also_rich, process_only, data_only, **kwargs
 ):
     """Dump profile data to disk."""
     from rich.pretty import pprint
 
     pprint(locals())
 
-    from aiida import orm
 
     if profile is None:
-        echo.echo_critical("No profile selected to dump")
+        echo.echo_critical('No profile selected to dump')
 
     # if path is
     if not str(path).endswith(profile.name):
         path /= profile.name
-    
+
     inheritance_kwargs = {
-            'profile': profile,
-            'parent_path': path,
-            **kwargs,
-        }
+        'profile': profile,
+        'parent_path': path,
+        **kwargs,
+    }
 
     echo.echo_report(f"Dumping of profile `{profile.name}`'s data at path: `{path}`")
 
@@ -327,24 +315,23 @@ def archive_mirror(
         entities = {}
 
         if nodes:
-            entities["nodes"] = nodes
+            entities['nodes'] = nodes
 
         if codes:
-            entities["codes"] = codes
+            entities['codes'] = codes
 
         if computers:
-            entities["computers"] = computers
+            entities['computers'] = computers
 
         if groups:
-            entities["groups"] = groups
-
+            entities['groups'] = groups
 
     for group in groups:
         print('GROUP', group)
         group_dumper = GroupDumper(**inheritance_kwargs)
         group_dumper.pretty_print()
         group_dumper.dump(group)
-        
+
     # if entities is not None and "groups" in entities:
 
     #     if not data_only:

src/aiida/tools/dumping/abstract.py

@@ -1,6 +1,7 @@
 from __future__ import annotations
 
 import pathlib
+
 from rich.console import Console
 from rich.table import Table
 
@@ -13,7 +14,7 @@ def __init__(
         incremental: bool = False,
         also_raw: bool = False,
         also_rich: bool = False,
-        dry_run: bool = False
+        dry_run: bool = False,
     ):
         self.parent_path = parent_path
         self.overwrite = overwrite
@@ -24,12 +25,12 @@ def __init__(
 
     def pretty_print(self, also_private: bool = True, also_dunder: bool = False):
         console = Console()
-        table = Table(title=f"Attributes and Methods of {self.__class__.__name__}")
+        table = Table(title=f'Attributes and Methods of {self.__class__.__name__}')
 
         # Adding columns to the table
-        table.add_column("Name", justify="left")
-        table.add_column("Type", justify="left")
-        table.add_column("Value", justify="left")
+        table.add_column('Name', justify='left')
+        table.add_column('Type', justify='left')
+        table.add_column('Value', justify='left')
 
         # Lists to store attributes and methods
         entries = []
@@ -40,28 +41,27 @@ def pretty_print(self, also_private: bool = True, also_dunder: bool = False):
             if not also_private and not also_dunder:
                 if not (attr_name.startswith('_') or attr_name.endswith('_')):
                     attr_value = getattr(self, attr_name)
-                    entry_type = "Attribute" if not callable(attr_value) else "Method"
+                    entry_type = 'Attribute' if not callable(attr_value) else 'Method'
                     entries.append((attr_name, entry_type, str(attr_value)))
 
             if not also_private:
                 if attr_name.startswith('__'):
                     attr_value = getattr(self, attr_name)
-                    entry_type = "Attribute" if not callable(attr_value) else "Method"
+                    entry_type = 'Attribute' if not callable(attr_value) else 'Method'
                     entries.append((attr_name, entry_type, str(attr_value)))
 
             if not also_dunder:
                 if not attr_name.startswith('__'):
                     attr_value = getattr(self, attr_name)
-                    entry_type = "Attribute" if not callable(attr_value) else "Method"
+                    entry_type = 'Attribute' if not callable(attr_value) else 'Method'
                     entries.append((attr_name, entry_type, str(attr_value)))
             else:
                 attr_value = getattr(self, attr_name)
-                entry_type = "Attribute" if not callable(attr_value) else "Method"
+                entry_type = 'Attribute' if not callable(attr_value) else 'Method'
                 entries.append((attr_name, entry_type, str(attr_value)))
-
 
         # Sort entries: attributes first, then methods
-        entries.sort(key=lambda x: (x[1] == "Method", x[0]))
+        entries.sort(key=lambda x: (x[1] == 'Method', x[0]))
 
         # Add sorted entries to the table
         for name, entry_type, value in entries:

src/aiida/tools/dumping/collection.py

@@ -8,16 +8,16 @@
 ###########################################################################
 """Functionality for dumping of a Collections of AiiDA ORMs."""
 
-from aiida import orm
 import logging
 from collections import Counter
+
+from rich.pretty import pprint
+
+from aiida import orm
+from aiida.manage.configuration import Profile
 from aiida.tools.dumping.abstract import AbstractDumper
 from aiida.tools.dumping.data import DataDumper
 from aiida.tools.dumping.process import ProcessDumper
-from aiida.manage.configuration import Profile
-from rich.pretty import pprint
-from rich.console import Console
-from rich.table import Table
 
 LOGGER = logging.getLogger(__name__)
 # TODO: Could also get the entities, or UUIDs directly, rather than just counting them here

src/aiida/tools/dumping/data.py

@@ -9,16 +9,17 @@
 """Functionality for dumping of Data nodes."""
 
 from __future__ import annotations
+
+import logging
 from functools import singledispatchmethod
+from pathlib import Path
+
+import yaml
 
 from aiida import orm
 from aiida.orm.nodes.data.structure import StructureData
-from pathlib import Path
-import logging
-import yaml
 from aiida.tools.dumping.abstract import AbstractDumper
 
-
 logger = logging.getLogger(__name__)
 
 
@@ -91,7 +92,7 @@ def _dump_code(
         file_name: str | Path | None = None,
         file_format: str = 'yaml',
         *args,
-        **kwargs
+        **kwargs,
     ):
         if output_path is None:
             output_path = Path.cwd()

src/aiida/tools/dumping/gio-dev.py

@@ -25,4 +25,4 @@ def export_structure(node, folder, **kargs): # GP: support both functions and cl
 # GP: Not specified means use the default, for now from hardcoded list, in the future reading from some defined method of the plugin
 
 # This could be entry point given in plugin
-aiida.orm.data.StructureData.export_to_dir # think to a syntax for methods
+aiida.orm.data.StructureData.export_to_dir # think to a syntax for methods