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Pre-commit: Update pre-commit version and hook config
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The encoding pragma is now actually removed as it was essentially only
useful for code that needed to support Python 2.
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sphuber committed Dec 22, 2023
1 parent 357fc45 commit 92e1c24
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Showing 60 changed files with 5 additions and 60 deletions.
1 change: 0 additions & 1 deletion .github/workflows/validate_release_tag.py
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# -*- coding: utf-8 -*-
"""Validate that the version in the tag label matches the version of the package."""
import argparse
import ast
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6 changes: 5 additions & 1 deletion .pre-commit-config.yaml
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repos:
- repo: https://github.com/pre-commit/pre-commit-hooks
rev: v4.2.0
rev: v4.5.0
hooks:
- id: check-merge-conflict
- id: check-yaml
- id: double-quote-string-fixer
- id: end-of-file-fixer
- id: fix-encoding-pragma
args: [--remove]
- id: mixed-line-ending
args: [--fix=lf]
- id: trailing-whitespace

- repo: https://github.com/ikamensh/flynt/
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1 change: 0 additions & 1 deletion docs/source/conf.py
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# -*- coding: utf-8 -*-
# Configuration file for the Sphinx documentation builder.
#
# This file only contains a selection of the most common options. For a full
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1 change: 0 additions & 1 deletion src/aiida_pseudo/__init__.py
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# -*- coding: utf-8 -*-
"""AiiDA plugin that simplifies working with pseudo potentials."""
__version__ = '1.4.0'
1 change: 0 additions & 1 deletion src/aiida_pseudo/cli/__init__.py
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# -*- coding: utf-8 -*-
"""Module for the command line interface."""
from .family import cmd_family # noqa: F401
from .install import cmd_install, cmd_install_family, cmd_install_pseudo_dojo, cmd_install_sssp # noqa: F401
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1 change: 0 additions & 1 deletion src/aiida_pseudo/cli/family.py
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# -*- coding: utf-8 -*-
"""Commands to inspect or modify the contents of pseudo potential families."""
import json

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1 change: 0 additions & 1 deletion src/aiida_pseudo/cli/install.py
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# -*- coding: utf-8 -*-
"""Command to install a pseudo potential family."""
import json
import pathlib
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1 change: 0 additions & 1 deletion src/aiida_pseudo/cli/list.py
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# -*- coding: utf-8 -*-
"""Commands to list instances of `PseudoPotentialFamily`."""
import click
from aiida.cmdline.params import options as options_core
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1 change: 0 additions & 1 deletion src/aiida_pseudo/cli/params/__init__.py
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# -*- coding: utf-8 -*-
"""Module for command line interface parameters."""
from .options import *
from .types import *
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1 change: 0 additions & 1 deletion src/aiida_pseudo/cli/params/arguments.py
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# -*- coding: utf-8 -*-
"""Reusable arguments for CLI commands."""
from aiida.cmdline.params.arguments.overridable import OverridableArgument

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1 change: 0 additions & 1 deletion src/aiida_pseudo/cli/params/options.py
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# -*- coding: utf-8 -*-
"""Reusable options for CLI commands."""
import functools
import shutil
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1 change: 0 additions & 1 deletion src/aiida_pseudo/cli/params/types.py
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# -*- coding: utf-8 -*-
"""Custom parameter types for command line interface commands."""
from __future__ import annotations

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1 change: 0 additions & 1 deletion src/aiida_pseudo/cli/root.py
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# -*- coding: utf-8 -*-
"""Command line interface `aiida-pseudo`."""
import click
from aiida.cmdline.groups.verdi import VerdiCommandGroup
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1 change: 0 additions & 1 deletion src/aiida_pseudo/cli/utils.py
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# -*- coding: utf-8 -*-
"""Command line interface utilities."""
from contextlib import contextmanager
from pathlib import Path
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1 change: 0 additions & 1 deletion src/aiida_pseudo/common/__init__.py
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# -*- coding: utf-8 -*-
"""Module with common resources."""
1 change: 0 additions & 1 deletion src/aiida_pseudo/common/units.py
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# -*- coding: utf-8 -*-
"""Module with constants for unit conversions."""
from pint import UnitRegistry

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1 change: 0 additions & 1 deletion src/aiida_pseudo/data/__init__.py
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# -*- coding: utf-8 -*-
"""Module with implementations of :class:`aiida.orm.nodes.data.Data` plugins."""
1 change: 0 additions & 1 deletion src/aiida_pseudo/data/pseudo/__init__.py
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# -*- coding: utf-8 -*-
"""Module with data plugins to represent pseudo potentials."""
from .jthxml import *
from .pseudo import *
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1 change: 0 additions & 1 deletion src/aiida_pseudo/data/pseudo/jthxml.py
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# -*- coding: utf-8 -*-
"""Module for data plugin to represent a pseudo potential in JTH XML format."""
import pathlib
import re
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1 change: 0 additions & 1 deletion src/aiida_pseudo/data/pseudo/pseudo.py
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# -*- coding: utf-8 -*-
"""Base class for data types representing pseudo potentials."""
import io
import pathlib
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1 change: 0 additions & 1 deletion src/aiida_pseudo/data/pseudo/psf.py
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# -*- coding: utf-8 -*-
"""Module for data plugin to represent a pseudo potential in PSF format."""
import pathlib
import re
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1 change: 0 additions & 1 deletion src/aiida_pseudo/data/pseudo/psml.py
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# -*- coding: utf-8 -*-
"""Module for data plugin to represent a pseudo potential in PSML format."""
import pathlib
import re
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1 change: 0 additions & 1 deletion src/aiida_pseudo/data/pseudo/psp8.py
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# -*- coding: utf-8 -*-
"""Module for data plugin to represent a pseudo potential in Psp8 format."""
import pathlib
import typing
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1 change: 0 additions & 1 deletion src/aiida_pseudo/data/pseudo/upf.py
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# -*- coding: utf-8 -*-
"""Module for data plugin to represent a pseudo potential in UPF format."""
import pathlib
import re
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1 change: 0 additions & 1 deletion src/aiida_pseudo/data/pseudo/vps.py
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# -*- coding: utf-8 -*-
"""Module for data plugin to represent a pseudo potential in VPS format."""
import pathlib
import re
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1 change: 0 additions & 1 deletion src/aiida_pseudo/groups/__init__.py
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# -*- coding: utf-8 -*-
"""Module with implementations of :class:`aiida.orm.groups.Group` plugins."""
1 change: 0 additions & 1 deletion src/aiida_pseudo/groups/family/__init__.py
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# -*- coding: utf-8 -*-
"""Module with group plugins to represent pseudo potential families."""
from .cutoffs import *
from .pseudo import *
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1 change: 0 additions & 1 deletion src/aiida_pseudo/groups/family/cutoffs.py
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# -*- coding: utf-8 -*-
"""Subclass of ``PseudoPotentialFamily`` designed to represent a family with recommended cutoffs."""
from ..mixins import RecommendedCutoffMixin
from .pseudo import PseudoPotentialFamily
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1 change: 0 additions & 1 deletion src/aiida_pseudo/groups/family/pseudo.py
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# -*- coding: utf-8 -*-
"""Subclass of ``Group`` that serves as a base class for representing pseudo potential families."""
import re
from typing import List, Mapping, Optional, Tuple, Union
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1 change: 0 additions & 1 deletion src/aiida_pseudo/groups/family/pseudo_dojo.py
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# -*- coding: utf-8 -*-
"""Subclass of `PseudoPotentialFamily` designed to represent a PseudoDojo configuration."""
from __future__ import annotations

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1 change: 0 additions & 1 deletion src/aiida_pseudo/groups/family/sssp.py
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# -*- coding: utf-8 -*-
"""Subclass of ``PseudoPotentialFamily`` designed to represent an SSSP configuration."""
from typing import NamedTuple, Optional, Sequence

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1 change: 0 additions & 1 deletion src/aiida_pseudo/groups/mixins/__init__.py
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# -*- coding: utf-8 -*-
"""Module containing various mixins for ``Group`` subclasses."""
from .cutoffs import *

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1 change: 0 additions & 1 deletion src/aiida_pseudo/groups/mixins/cutoffs.py
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# -*- coding: utf-8 -*-
"""Mixin that adds support of recommended cutoffs to a ``Group`` subclass, using its extras."""
import warnings
from typing import Optional
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1 change: 0 additions & 1 deletion tests/__init__.py
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# -*- coding: utf-8 -*-
"""Tests for the :mod:`aiida_pseudo` module."""
1 change: 0 additions & 1 deletion tests/cli/__init__.py
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# -*- coding: utf-8 -*-
"""Tests for the :mod:`aiida_pseudo.cli` module."""
1 change: 0 additions & 1 deletion tests/cli/params/__init__.py
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# -*- coding: utf-8 -*-
"""Tests for the :mod:`aiida_pseudo.cli.params` module."""
1 change: 0 additions & 1 deletion tests/cli/params/test_types.py
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# -*- coding: utf-8 -*-
"""Tests for the :mod:`~aiida_pseudo.cli.params.types` module."""
import click
import pytest
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1 change: 0 additions & 1 deletion tests/cli/test_family.py
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# -*- coding: utf-8 -*-
"""Tests for the command `aiida-pseudo family`."""
import json
from copy import deepcopy
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1 change: 0 additions & 1 deletion tests/cli/test_install.py
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# -*- coding: utf-8 -*-
"""Tests for `aiida-pseudo install`."""
import contextlib
import json
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1 change: 0 additions & 1 deletion tests/cli/test_list.py
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# -*- coding: utf-8 -*-
"""Tests for the command `aiida-pseudo list`."""
from aiida_pseudo.cli import cmd_list
from aiida_pseudo.cli.list import PROJECTIONS_VALID
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1 change: 0 additions & 1 deletion tests/cli/test_root.py
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# -*- coding: utf-8 -*-
"""Tests for CLI commands."""
from __future__ import annotations

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1 change: 0 additions & 1 deletion tests/cli/test_utils.py
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# -*- coding: utf-8 -*-
"""Test the command line interface utilities."""
import shutil
import tarfile
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1 change: 0 additions & 1 deletion tests/conftest.py
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# -*- coding: utf-8 -*-
"""Configuration and fixtures for unit test suite."""
import io
import os
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1 change: 0 additions & 1 deletion tests/data/__init__.py
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# -*- coding: utf-8 -*-
"""Tests for the :mod:`aiida_pseudo.data` module."""
1 change: 0 additions & 1 deletion tests/data/pseudo/__init__.py
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# -*- coding: utf-8 -*-
"""Tests for the :mod:`aiida_pseudo.data.pseudo` module."""
1 change: 0 additions & 1 deletion tests/data/pseudo/test_common.py
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# -*- coding: utf-8 -*-
"""Tests that are common to all data plugins in the :py:mod:`~aiida_pseudo.data.pseudo` module."""
import pytest
from aiida import plugins
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1 change: 0 additions & 1 deletion tests/data/pseudo/test_jthxml.py
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# -*- coding: utf-8 -*-
"""Tests for the :py:`~aiida_pseudo.data.pseudo.jthxml` module."""
import io
import pathlib
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1 change: 0 additions & 1 deletion tests/data/pseudo/test_pseudo.py
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# -*- coding: utf-8 -*-
"""Tests for the :py:mod:`~aiida_pseudo.data.pseudo.pseudo` module."""
import io
import pathlib
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1 change: 0 additions & 1 deletion tests/data/pseudo/test_psf.py
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# -*- coding: utf-8 -*-
"""Tests for the :py:`~aiida_pseudo.data.pseudo.psf` module."""
import io
import pathlib
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1 change: 0 additions & 1 deletion tests/data/pseudo/test_psml.py
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# -*- coding: utf-8 -*-
"""Tests for the :py:`~aiida_pseudo.data.pseudo.psml` module."""
import io
import pathlib
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1 change: 0 additions & 1 deletion tests/data/pseudo/test_psp8.py
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# -*- coding: utf-8 -*-
"""Tests for the :py:`~aiida_pseudo.data.pseudo.psp8` module."""
import io
import pathlib
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1 change: 0 additions & 1 deletion tests/data/pseudo/test_upf.py
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# -*- coding: utf-8 -*-
"""Tests for the :py:`~aiida_pseudo.data.pseudo.upf` module."""
import io
import pathlib
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1 change: 0 additions & 1 deletion tests/data/pseudo/test_vps.py
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# -*- coding: utf-8 -*-
"""Tests for the :py:`~aiida_pseudo.data.pseudo.vps` module."""
import io
import pathlib
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1 change: 0 additions & 1 deletion tests/groups/__init__.py
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# -*- coding: utf-8 -*-
"""Tests for the :mod:`aiida_pseudo.groups` module."""
1 change: 0 additions & 1 deletion tests/groups/family/__init__.py
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# -*- coding: utf-8 -*-
"""Tests for the :mod:`aiida_pseudo.groups.family` module."""
1 change: 0 additions & 1 deletion tests/groups/family/test_pseudo.py
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# -*- coding: utf-8 -*-
"""Tests for the `PseudoPotentialFamily` class."""
import shutil

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1 change: 0 additions & 1 deletion tests/groups/family/test_pseudo_dojo.py
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# -*- coding: utf-8 -*-
"""Tests for the `PseudoDojoFamily` class."""
import pytest
from aiida_pseudo.data.pseudo import JthXmlData, PsmlData, Psp8Data, UpfData
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1 change: 0 additions & 1 deletion tests/groups/family/test_sssp.py
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# -*- coding: utf-8 -*-
"""Tests for the `SsspFamily` class."""
import pytest
from aiida_pseudo.data.pseudo.upf import UpfData
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1 change: 0 additions & 1 deletion tests/groups/mixins/__init__.py
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# -*- coding: utf-8 -*-
"""Tests for the :mod:`aiida_pseudo.groups.mixins` module."""
1 change: 0 additions & 1 deletion tests/groups/mixins/test_cutoffs.py
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# -*- coding: utf-8 -*-
"""Tests for the :mod:`aiida_pseudo.groups.mixins.cutoffs` module."""
import copy

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