CLI: Add the command verdi presto (#6351)

This command aims making setting up a new profile as easy as possible.
It intentionally provides a limited amount of options to customize the
profile and by default does not require any options to be specified at
all. For full control, the command `verdi profile setup` should be used
instead.

The main goal for this command is to setup a profile with minimal
requirements to make it easy to install AiiDA and get started as quickly
as possible. Therefore, by default, the created profile uses the
`core.sqlite_dos` storage plugin which does not require any services,
such as PostgreSQL and RabbitMQ are not required. This _does_ mean,
however, that not all functionality of AiiDA is available, most notably
running the daemon and submitting processes to said daemon.

The command performs the following actions:

* Create a new profile that is set as the new default
* Create a default user for the profile (can be configured through options)
* Set up the localhost as a `Computer` and configure it
* Set a number of configuration options with sensible defaults

In the future, it may be possible to incorporate the functionality of
the `verdi quicksetup` command that automatically creates the role and
database in PostgreSQL necessary for a profile with the `core.psql_dos`
storage plugin. This would allow `verdi quicksetup` to be retired
leaving just `verdi presto` and `verdi profile setup` to provide all the
profile setup needs.

docs/source/reference/command_line.rst

@@ -313,6 +313,44 @@ Below is a list with all available subcommands.
       list  Display a list of all available plugins.
 
 
+.. _reference:command-line:verdi-presto:
+
+``verdi presto``
+----------------
+
+.. code:: console
+
+    Usage:  [OPTIONS]
+
+      Set up a new profile in a jiffy.
+
+      This command aims to make setting up a new profile as easy as possible. It intentionally
+      provides only a limited amount of options to customize the profile and by default does
+      not require any options to be specified at all. For full control, please use `verdi
+      profile setup`.
+
+      After running `verdi presto` you can immediately start using AiiDA without additional
+      setup. The created profile uses the `core.sqlite_dos` storage plugin which does not
+      require any services, such as PostgreSQL. The broker service RabbitMQ is also optional.
+      The command tries to connect to it using default settings and configures it for the
+      profile if found. Otherwise, the profile is created without a broker, in which case some
+      functionality will be unavailable, most notably running the daemon and submitting
+      processes to said daemon.
+
+      The command performs the following actions:
+
+      * Create a new profile that is set as the new default
+      * Create a default user for the profile (email can be configured through the `--email` option)
+      * Set up the localhost as a `Computer` and configure it
+      * Set a number of configuration options with sensible defaults
+
+    Options:
+      --profile-name TEXT  Name of the profile. By default, a unique name starting with
+                           `presto` is automatically generated.  [default: (dynamic)]
+      --email TEXT         Email of the default user.  [default: aiida@localhost]
+      --help               Show this message and exit.
+
+
 .. _reference:command-line:verdi-process:
 
 ``verdi process``

src/aiida/brokers/rabbitmq/defaults.py

@@ -1,5 +1,9 @@
 """Defaults related to RabbitMQ."""
 
+from __future__ import annotations
+
+import typing as t
+
 from aiida.common.extendeddicts import AttributeDict
 
 __all__ = ('BROKER_DEFAULTS',)
@@ -19,3 +23,20 @@
         'heartbeat': 600,
     }
 )
+
+
+def detect_rabbitmq_config() -> dict[str, t.Any] | None:
+    """Try to connect to a RabbitMQ server with the default connection parameters.
+
+    :returns: The connection parameters if the RabbitMQ server was successfully connected to, or ``None`` otherwise.
+    """
+    from kiwipy.rmq.threadcomms import connect
+
+    connection_params = dict(BROKER_DEFAULTS)
+
+    try:
+        connect(connection_params=connection_params)
+    except ConnectionError:
+        return None
+
+    return connection_params

src/aiida/cmdline/commands/__init__.py

@@ -26,6 +26,7 @@
     cmd_help,
     cmd_node,
     cmd_plugin,
+    cmd_presto,
     cmd_process,
     cmd_profile,
     cmd_rabbitmq,

src/aiida/cmdline/commands/cmd_presto.py

@@ -0,0 +1,133 @@
+###########################################################################
+# 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/aiidateam/aiida-core #
+# For further information on the license, see the LICENSE.txt file        #
+# For further information please visit http://www.aiida.net               #
+###########################################################################
+"""``verdi presto`` command."""
+
+from __future__ import annotations
+
+import pathlib
+import re
+import typing as t
+
+import click
+
+from aiida.cmdline.commands.cmd_verdi import verdi
+from aiida.cmdline.utils import echo
+from aiida.manage.configuration import get_config_option
+
+DEFAULT_PROFILE_NAME_PREFIX: str = 'presto'
+
+
+def get_default_presto_profile_name():
+    from aiida.manage import get_config
+
+    profile_names = get_config().profile_names
+    indices = []
+
+    for profile_name in profile_names:
+        if match := re.search(r'presto[-]?(\d+)?', profile_name):
+            indices.append(match.group(1) or '0')
+
+    if not indices:
+        return DEFAULT_PROFILE_NAME_PREFIX
+
+    last_index = int(sorted(indices)[-1])
+
+    return f'{DEFAULT_PROFILE_NAME_PREFIX}-{last_index + 1}'
+
+
+@verdi.command('presto')
+@click.option(
+    '--profile-name',
+    default=lambda: get_default_presto_profile_name(),
+    show_default=True,
+    help=f'Name of the profile. By default, a unique name starting with `{DEFAULT_PROFILE_NAME_PREFIX}` is '
+    'automatically generated.',
+)
+@click.option(
+    '--email',
+    default=get_config_option('autofill.user.email') or 'aiida@localhost',
+    show_default=True,
+    help='Email of the default user.',
+)
+@click.pass_context
+def verdi_presto(ctx, profile_name, email):
+    """Set up a new profile in a jiffy.
+
+    This command aims to make setting up a new profile as easy as possible. It intentionally provides only a limited
+    amount of options to customize the profile and by default does not require any options to be specified at all. For
+    full control, please use `verdi profile setup`.
+
+    After running `verdi presto` you can immediately start using AiiDA without additional setup. The created profile
+    uses the `core.sqlite_dos` storage plugin which does not require any services, such as PostgreSQL. The broker
+    service RabbitMQ is also optional. The command tries to connect to it using default settings and configures it for
+    the profile if found. Otherwise, the profile is created without a broker, in which case some functionality will be
+    unavailable, most notably running the daemon and submitting processes to said daemon.
+
+    The command performs the following actions:
+
+    \b
+    * Create a new profile that is set as the new default
+    * Create a default user for the profile (email can be configured through the `--email` option)
+    * Set up the localhost as a `Computer` and configure it
+    * Set a number of configuration options with sensible defaults
+
+    """
+    from aiida.brokers.rabbitmq.defaults import detect_rabbitmq_config
+    from aiida.common import exceptions
+    from aiida.manage.configuration import create_profile, load_profile
+    from aiida.orm import Computer
+
+    storage_config: dict[str, t.Any] = {}
+    storage_backend = 'core.sqlite_dos'
+
+    broker_config = detect_rabbitmq_config()
+    broker_backend = 'core.rabbitmq' if broker_config is not None else None
+
+    if broker_config is None:
+        echo.echo_report('RabbitMQ server not found: configuring the profile without a broker.')
+    else:
+        echo.echo_report('RabbitMQ server detected: configuring the profile with a broker.')
+
+    try:
+        profile = create_profile(
+            ctx.obj.config,
+            name=profile_name,
+            email=email,
+            storage_backend=storage_backend,
+            storage_config=storage_config,
+            broker_backend=broker_backend,
+            broker_config=broker_config,
+        )
+    except (ValueError, TypeError, exceptions.EntryPointError, exceptions.StorageMigrationError) as exception:
+        echo.echo_critical(str(exception))
+
+    echo.echo_success(f'Created new profile `{profile.name}`.')
+
+    ctx.obj.config.set_option('runner.poll.interval', 1, scope=profile.name)
+    ctx.obj.config.set_default_profile(profile.name, overwrite=True)
+    ctx.obj.config.store()
+
+    load_profile(profile.name, allow_switch=True)
+    echo.echo_info(f'Loaded newly created profile `{profile.name}`.')
+
+    filepath_scratch = pathlib.Path(ctx.obj.config.dirpath) / 'scratch' / profile.name
+
+    computer = Computer(
+        label='localhost',
+        hostname='localhost',
+        description='Localhost automatically created by `verdi presto`',
+        transport_type='core.local',
+        scheduler_type='core.direct',
+        workdir=str(filepath_scratch),
+    ).store()
+    computer.configure(safe_interval=0)
+    computer.set_minimum_job_poll_interval(1)
+    computer.set_default_mpiprocs_per_machine(1)
+
+    echo.echo_success('Configured the localhost as a computer.')

src/aiida/cmdline/commands/cmd_profile.py

@@ -116,7 +116,10 @@ def profile_list():
         echo.echo_report(f'configuration folder: {config.dirpath}')
 
     if not config.profiles:
-        echo.echo_warning('no profiles configured: run `verdi setup` to create one')
+        echo.echo_warning(
+            'no profiles configured: Run `verdi presto` to automatically setup a profile using all defaults or use '
+            '`verdi profile setup` for more control.'
+        )
     else:
         sort = lambda profile: profile.name  # noqa: E731
         highlight = lambda profile: profile.name == config.default_profile_name  # noqa: E731

src/aiida/cmdline/commands/cmd_status.py

@@ -75,7 +75,10 @@ def verdi_status(print_traceback, no_rmq):
 
         if profile is None:
             print_status(ServiceStatus.WARNING, 'profile', 'no profile configured yet')
-            echo.echo_report('Configure a profile by running `verdi quicksetup` or `verdi setup`.')
+            echo.echo_report(
+                'Run `verdi presto` to automatically setup a profile using all defaults or use `verdi profile setup` '
+                'for more control.'
+            )
             return
 
         print_status(ServiceStatus.UP, 'profile', profile.name)

src/aiida/manage/configuration/__init__.py

@@ -188,8 +188,7 @@ def profile_context(profile: 'Profile' | str | None = None, allow_switch=False)
 
     manager = get_manager()
     current_profile = manager.get_profile()
-    manager.load_profile(profile, allow_switch)
-    yield profile
+    yield manager.load_profile(profile, allow_switch)
     if current_profile is None:
         manager.unload_profile()
     else:
@@ -234,7 +233,7 @@ def create_default_user(
         if user:
             manager.set_default_user_email(profile, user.email)
 
-    return
+    return user
 
 
 def create_profile(

src/aiida/storage/sqlite_dos/backend.py

@@ -103,7 +103,7 @@ class Model(BaseModel):
         filepath: str = Field(
             title='Directory of the backend',
             description='Filepath of the directory in which to store data for this backend.',
-            default_factory=lambda: AIIDA_CONFIG_FOLDER / 'repository' / f'sqlite_dos_{uuid4().hex}',
+            default_factory=lambda: str(AIIDA_CONFIG_FOLDER / 'repository' / f'sqlite_dos_{uuid4().hex}'),
         )
 
         @field_validator('filepath')

tests/cmdline/commands/test_presto.py

@@ -0,0 +1,50 @@
+"""Tests for ``verdi presto``."""
+
+import pytest
+from aiida.cmdline.commands.cmd_presto import get_default_presto_profile_name, verdi_presto
+from aiida.manage.configuration import profile_context
+from aiida.manage.configuration.config import Config
+from aiida.orm import Computer
+
+
+@pytest.mark.parametrize(
+    'profile_names, expected',
+    (
+        ([], 'presto'),
+        (['main', 'sqlite'], 'presto'),
+        (['presto'], 'presto-1'),
+        (['presto', 'presto-5', 'presto-2'], 'presto-6'),
+        (['presto', 'main', 'presto-2', 'sqlite'], 'presto-3'),
+    ),
+)
+def test_get_default_presto_profile_name(monkeypatch, profile_names, expected):
+    """Test the dynamic default profile function."""
+
+    def get_profile_names(self):
+        return profile_names
+
+    monkeypatch.setattr(Config, 'profile_names', property(get_profile_names))
+    assert get_default_presto_profile_name() == expected
+
+
+@pytest.mark.usefixtures('empty_config')
+@pytest.mark.parametrize('with_broker', (True, False))
+def test_presto(run_cli_command, with_broker, monkeypatch):
+    """Test the ``verdi presto``."""
+    from aiida.brokers.rabbitmq import defaults
+
+    if not with_broker:
+        # Patch the RabbitMQ detection function to pretend it could not find the service
+        monkeypatch.setattr(defaults, 'detect_rabbitmq_config', lambda: None)
+
+    result = run_cli_command(verdi_presto)
+    assert 'Created new profile `presto`.' in result.output
+
+    with profile_context('presto', allow_switch=True) as profile:
+        assert profile.name == 'presto'
+        localhost = Computer.collection.get(label='localhost')
+        assert localhost.is_configured
+        if with_broker:
+            assert profile.process_control_backend == 'core.rabbitmq'
+        else:
+            assert profile.process_control_backend is None