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CLI: update to be compatible with aiida-core==2.1
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Currently the CLI is broken with `aiida-core==2.1`. The reason is that
we are using the `PROFILE` option, which relies on the command that it
is attached to configure certain things, such as the context. In v2.1,
the behavior was changed causing the commands to except because the
`PROFILE` option cannot find certain attributes it expects in the
context.

For the `PROFILE` option to work, the root command should use the class
`aiida.cmdline.groups.VerdiCommandGroup` as its `cls`. This class defines
a custom context class that is necessary. It also automatically provides
the verbosity option for all subcommands, so the explicit declaration
can now be removed.

The problem was not detected in the unit tests because they only show up
when the root command is invoked. The unit tests call the subcommands
directly though, and this circumvents the root command. This is
documented behavior of `click` and there is no way around it. The only
solution is to call the commands through the command  line interface
exactly as they would be called normally.

This is now done in the `test_commands.py` file. The test parametrizes
over all existing (sub)commands and directly calls it as a subprocess.
This guarantees that the root command is called including its specific
context that needs to be setup.

The `VerdiCommandGroup` also automatically adds the `-v/--verbosity`
option to all commands. This is useful as it automatically controls the
logging configuration setup by `aiida-core`. However, the `-v` short
flag overlaps with our `-v/--version` option that is used to designate
pseudo potential family versions. To solve this the `VerdiCommandGroup`
clas is subclassed to override the `add_verbosity_option` method so that
we can change the `VERBOSITY` option for a custom one, that only defines
the `--verbosity` long option.
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sphuber committed Nov 8, 2022
1 parent bedbf44 commit 14baf9b
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Showing 4 changed files with 83 additions and 54 deletions.
2 changes: 1 addition & 1 deletion pyproject.toml
Original file line number Diff line number Diff line change
Expand Up @@ -22,7 +22,7 @@ classifiers = [
keywords = ['aiida', 'pseudopotentials']
requires-python = '>=3.8'
dependencies = [
'aiida-core~=2.0',
'aiida-core~=2.1',
'click~=8.0',
'pint~=0.16.1',
'requests~=2.20',
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43 changes: 27 additions & 16 deletions src/aiida_pseudo/cli/params/options.py
Original file line number Diff line number Diff line change
@@ -1,66 +1,77 @@
# -*- coding: utf-8 -*-
"""Reusable options for CLI commands."""
import functools
import shutil

from aiida.cmdline.params.options import OverridableOption
from aiida.cmdline.params import options as core_options
from aiida.cmdline.params import types as core_types
import click

from .types import PseudoPotentialFamilyTypeParam, PseudoPotentialTypeParam, UnitParamType

__all__ = (
'VERSION', 'FUNCTIONAL', 'RELATIVISTIC', 'PROTOCOL', 'PSEUDO_FORMAT', 'STRINGENCY', 'DEFAULT_STRINGENCY',
'TRACEBACK', 'FAMILY_TYPE', 'ARCHIVE_FORMAT', 'UNIT', 'DOWNLOAD_ONLY'
'PROFILE', 'VERBOSITY', 'VERSION', 'FUNCTIONAL', 'RELATIVISTIC', 'PROTOCOL', 'PSEUDO_FORMAT', 'STRINGENCY',
'DEFAULT_STRINGENCY', 'TRACEBACK', 'FAMILY_TYPE', 'ARCHIVE_FORMAT', 'UNIT', 'DOWNLOAD_ONLY'
)

VERSION = OverridableOption(
PROFILE = functools.partial(
core_options.PROFILE, type=core_types.ProfileParamType(load_profile=True), expose_value=False
)

# Clone the ``VERBOSITY`` option from ``aiida-core`` so the ``-v`` short flag can be removed, since that overlaps with
# the flag of the ``VERSION`` option of this CLI.
VERBOSITY = core_options.VERBOSITY.clone()
VERBOSITY.args = ('--verbosity',)

VERSION = core_options.OverridableOption(
'-v', '--version', type=click.STRING, required=False, help='Select the version of the installed configuration.'
)

FUNCTIONAL = OverridableOption(
FUNCTIONAL = core_options.OverridableOption(
'-x',
'--functional',
type=click.STRING,
required=False,
help='Select the functional of the installed configuration.'
)

RELATIVISTIC = OverridableOption(
RELATIVISTIC = core_options.OverridableOption(
'-r',
'--relativistic',
type=click.STRING,
required=False,
help='Select the type of relativistic effects included in the installed configuration.'
)

PROTOCOL = OverridableOption(
PROTOCOL = core_options.OverridableOption(
'-p', '--protocol', type=click.STRING, required=False, help='Select the protocol of the installed configuration.'
)

PSEUDO_FORMAT = OverridableOption(
PSEUDO_FORMAT = core_options.OverridableOption(
'-f',
'--pseudo-format',
type=click.STRING,
required=True,
help='Select the pseudopotential file format of the installed configuration.'
)

STRINGENCY = OverridableOption(
STRINGENCY = core_options.OverridableOption(
'-s', '--stringency', type=click.STRING, required=False, help='Stringency level for the recommended cutoffs.'
)

DEFAULT_STRINGENCY = OverridableOption(
DEFAULT_STRINGENCY = core_options.OverridableOption(
'-s',
'--default-stringency',
type=click.STRING,
required=False,
help='Select the default stringency level for the installed configuration.'
)

TRACEBACK = OverridableOption(
TRACEBACK = core_options.OverridableOption(
'-t', '--traceback', is_flag=True, help='Include the stacktrace if an exception is encountered.'
)

FAMILY_TYPE = OverridableOption(
FAMILY_TYPE = core_options.OverridableOption(
'-F',
'--family-type',
type=PseudoPotentialFamilyTypeParam(),
Expand All @@ -69,7 +80,7 @@
help='Choose the type of pseudo potential family to create.'
)

PSEUDO_TYPE = OverridableOption(
PSEUDO_TYPE = core_options.OverridableOption(
'-P',
'--pseudo-type',
type=PseudoPotentialTypeParam(),
Expand All @@ -81,11 +92,11 @@
)
)

ARCHIVE_FORMAT = OverridableOption(
ARCHIVE_FORMAT = core_options.OverridableOption(
'-f', '--archive-format', type=click.Choice([fmt[0] for fmt in shutil.get_archive_formats()])
)

UNIT = OverridableOption(
UNIT = core_options.OverridableOption(
'-u',
'--unit',
type=UnitParamType(quantity='energy'),
Expand All @@ -95,7 +106,7 @@
help='Specify the energy unit of the cutoffs. Must be recognized by the ``UnitRegistry`` of the ``pint`` library.'
)

DOWNLOAD_ONLY = OverridableOption(
DOWNLOAD_ONLY = core_options.OverridableOption(
'--download-only',
is_flag=True,
help=(
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43 changes: 13 additions & 30 deletions src/aiida_pseudo/cli/root.py
Original file line number Diff line number Diff line change
@@ -1,46 +1,29 @@
# -*- coding: utf-8 -*-
"""Command line interface `aiida-pseudo`."""
from aiida.cmdline.params import options, types
from aiida.cmdline.groups.verdi import VerdiCommandGroup
import click

from .params import options

class VerbosityGroup(click.Group):
"""Custom command group that automatically adds the ``VERBOSITY`` option to all subcommands."""

class CustomVerdiCommandGroup(VerdiCommandGroup):
"""Subclass of :class:`aiida.cmdline.groups.verdi.VerdiCommandGroup` for the CLI.
This subclass overrides the verbosity option to use a custom one that removes the ``-v`` short version of the option
since that is used by other options in this CLI and so would clash.
"""

@staticmethod
def add_verbosity_option(cmd):
"""Apply the ``verbosity`` option to the command, which is common to all ``verdi`` commands."""
if 'verbosity' not in [param.name for param in cmd.params]:
"""Apply the ``verbosity`` option to the command, which is common to all subcommands."""
if cmd is not None and 'verbosity' not in [param.name for param in cmd.params]:
cmd = options.VERBOSITY()(cmd)

return cmd

def group(self, *args, **kwargs):
"""Ensure that sub command groups use the same class but do not override an explicitly set value."""
kwargs.setdefault('cls', self.__class__)
return super().group(*args, **kwargs)

def get_command(self, ctx, cmd_name):
"""Return the command that corresponds to the requested ``cmd_name``.
This method is overridden from the base class in order to automatically add the verbosity option.
Note that if the command is not found and ``resilient_parsing`` is set to True on the context, then the latter
feature is disabled because most likely we are operating in tab-completion mode.
"""
cmd = super().get_command(ctx, cmd_name)

if cmd is not None:
return self.add_verbosity_option(cmd)

if ctx.resilient_parsing:
return None

return ctx.fail(f'`{cmd_name}` is not a {self.name} command.')


@click.group('aiida-pseudo', context_settings={'help_option_names': ['-h', '--help']})
@options.PROFILE(type=types.ProfileParamType(load_profile=True), expose_value=False)
@click.group('aiida-pseudo', cls=CustomVerdiCommandGroup, context_settings={'help_option_names': ['-h', '--help']})
@options.VERBOSITY()
@options.PROFILE()
def cmd_root():
"""CLI for the ``aiida-pseudo`` plugin."""
49 changes: 42 additions & 7 deletions tests/cli/test_root.py
Original file line number Diff line number Diff line change
@@ -1,12 +1,47 @@
# -*- coding: utf-8 -*-
"""Test the root command of the CLI."""
"""Tests for CLI commands."""
from __future__ import annotations

import subprocess

import click
import pytest

from aiida_pseudo.cli import cmd_root


def test_root(run_cli_command):
"""Test the root command for the CLI is callable."""
run_cli_command(cmd_root)
def recurse_commands(command: click.Command, parents: list[str] = None):
"""Recursively return all subcommands that are part of ``command``.
:param command: The click command to start with.
:param parents: A list of strings that represent the parent commands leading up to the current command.
:returns: A list of strings denoting the full path to the current command.
"""
if isinstance(command, click.Group):
for command_name in command.commands:
subcommand = command.get_command(None, command_name)
if parents is not None:
subparents = parents + [command.name]
else:
subparents = [command.name]
yield from recurse_commands(subcommand, subparents)

if parents is not None:
yield parents + [command.name]
else:
yield [command.name]


@pytest.mark.parametrize('command', recurse_commands(cmd_root))
@pytest.mark.parametrize('help_option', ('--help', '-h'))
def test_commands_help_option(command, help_option):
"""Test the help options for all subcommands of the CLI.
for option in ['-h', '--help']:
result = run_cli_command(cmd_root, [option])
assert cmd_root.__doc__ in result.output
The usage of ``subprocess.run`` is on purpose because using :meth:`click.Context.invoke`, which is used by the
``run_cli_command`` fixture that should usually be used in testing CLI commands, does not behave exactly the same
compared to a direct invocation on the command line. The invocation through ``invoke`` does not go through all the
parent commands and so might not get all the necessary initializations.
"""
result = subprocess.run(command + [help_option], check=False, capture_output=True, text=True)
assert result.returncode == 0, result.stderr
assert 'Usage:' in result.stdout

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