From 92e1c24f2c88404496ca3684afe2209ea3799e15 Mon Sep 17 00:00:00 2001 From: Sebastiaan Huber Date: Fri, 22 Dec 2023 17:24:42 +0100 Subject: [PATCH] Pre-commit: Update pre-commit version and hook config The encoding pragma is now actually removed as it was essentially only useful for code that needed to support Python 2. --- .github/workflows/validate_release_tag.py | 1 - .pre-commit-config.yaml | 6 +++++- docs/source/conf.py | 1 - src/aiida_pseudo/__init__.py | 1 - src/aiida_pseudo/cli/__init__.py | 1 - src/aiida_pseudo/cli/family.py | 1 - src/aiida_pseudo/cli/install.py | 1 - src/aiida_pseudo/cli/list.py | 1 - src/aiida_pseudo/cli/params/__init__.py | 1 - src/aiida_pseudo/cli/params/arguments.py | 1 - src/aiida_pseudo/cli/params/options.py | 1 - src/aiida_pseudo/cli/params/types.py | 1 - src/aiida_pseudo/cli/root.py | 1 - src/aiida_pseudo/cli/utils.py | 1 - src/aiida_pseudo/common/__init__.py | 1 - src/aiida_pseudo/common/units.py | 1 - src/aiida_pseudo/data/__init__.py | 1 - src/aiida_pseudo/data/pseudo/__init__.py | 1 - src/aiida_pseudo/data/pseudo/jthxml.py | 1 - src/aiida_pseudo/data/pseudo/pseudo.py | 1 - src/aiida_pseudo/data/pseudo/psf.py | 1 - src/aiida_pseudo/data/pseudo/psml.py | 1 - src/aiida_pseudo/data/pseudo/psp8.py | 1 - src/aiida_pseudo/data/pseudo/upf.py | 1 - src/aiida_pseudo/data/pseudo/vps.py | 1 - src/aiida_pseudo/groups/__init__.py | 1 - src/aiida_pseudo/groups/family/__init__.py | 1 - src/aiida_pseudo/groups/family/cutoffs.py | 1 - src/aiida_pseudo/groups/family/pseudo.py | 1 - src/aiida_pseudo/groups/family/pseudo_dojo.py | 1 - src/aiida_pseudo/groups/family/sssp.py | 1 - src/aiida_pseudo/groups/mixins/__init__.py | 1 - src/aiida_pseudo/groups/mixins/cutoffs.py | 1 - tests/__init__.py | 1 - tests/cli/__init__.py | 1 - tests/cli/params/__init__.py | 1 - tests/cli/params/test_types.py | 1 - tests/cli/test_family.py | 1 - tests/cli/test_install.py | 1 - tests/cli/test_list.py | 1 - tests/cli/test_root.py | 1 - tests/cli/test_utils.py | 1 - tests/conftest.py | 1 - tests/data/__init__.py | 1 - tests/data/pseudo/__init__.py | 1 - tests/data/pseudo/test_common.py | 1 - tests/data/pseudo/test_jthxml.py | 1 - tests/data/pseudo/test_pseudo.py | 1 - tests/data/pseudo/test_psf.py | 1 - tests/data/pseudo/test_psml.py | 1 - tests/data/pseudo/test_psp8.py | 1 - tests/data/pseudo/test_upf.py | 1 - tests/data/pseudo/test_vps.py | 1 - tests/groups/__init__.py | 1 - tests/groups/family/__init__.py | 1 - tests/groups/family/test_pseudo.py | 1 - tests/groups/family/test_pseudo_dojo.py | 1 - tests/groups/family/test_sssp.py | 1 - tests/groups/mixins/__init__.py | 1 - tests/groups/mixins/test_cutoffs.py | 1 - 60 files changed, 5 insertions(+), 60 deletions(-) diff --git a/.github/workflows/validate_release_tag.py b/.github/workflows/validate_release_tag.py index ccec4e5..6634b96 100644 --- a/.github/workflows/validate_release_tag.py +++ b/.github/workflows/validate_release_tag.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Validate that the version in the tag label matches the version of the package.""" import argparse import ast diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 009bd59..0122da8 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -1,11 +1,15 @@ 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/ diff --git a/docs/source/conf.py b/docs/source/conf.py index 82a0af8..d526a54 100644 --- a/docs/source/conf.py +++ b/docs/source/conf.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- # Configuration file for the Sphinx documentation builder. # # This file only contains a selection of the most common options. For a full diff --git a/src/aiida_pseudo/__init__.py b/src/aiida_pseudo/__init__.py index ee95527..25d975a 100644 --- a/src/aiida_pseudo/__init__.py +++ b/src/aiida_pseudo/__init__.py @@ -1,3 +1,2 @@ -# -*- coding: utf-8 -*- """AiiDA plugin that simplifies working with pseudo potentials.""" __version__ = '1.4.0' diff --git a/src/aiida_pseudo/cli/__init__.py b/src/aiida_pseudo/cli/__init__.py index 8da5832..6d7cd51 100644 --- a/src/aiida_pseudo/cli/__init__.py +++ b/src/aiida_pseudo/cli/__init__.py @@ -1,4 +1,3 @@ -# -*- 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 diff --git a/src/aiida_pseudo/cli/family.py b/src/aiida_pseudo/cli/family.py index 387bbde..2b18530 100644 --- a/src/aiida_pseudo/cli/family.py +++ b/src/aiida_pseudo/cli/family.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Commands to inspect or modify the contents of pseudo potential families.""" import json diff --git a/src/aiida_pseudo/cli/install.py b/src/aiida_pseudo/cli/install.py index 1fbf25c..61d51ce 100644 --- a/src/aiida_pseudo/cli/install.py +++ b/src/aiida_pseudo/cli/install.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Command to install a pseudo potential family.""" import json import pathlib diff --git a/src/aiida_pseudo/cli/list.py b/src/aiida_pseudo/cli/list.py index 2edd97f..bfccc25 100644 --- a/src/aiida_pseudo/cli/list.py +++ b/src/aiida_pseudo/cli/list.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Commands to list instances of `PseudoPotentialFamily`.""" import click from aiida.cmdline.params import options as options_core diff --git a/src/aiida_pseudo/cli/params/__init__.py b/src/aiida_pseudo/cli/params/__init__.py index 03c9367..4cfe4e2 100644 --- a/src/aiida_pseudo/cli/params/__init__.py +++ b/src/aiida_pseudo/cli/params/__init__.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Module for command line interface parameters.""" from .options import * from .types import * diff --git a/src/aiida_pseudo/cli/params/arguments.py b/src/aiida_pseudo/cli/params/arguments.py index 026442b..50fea4c 100644 --- a/src/aiida_pseudo/cli/params/arguments.py +++ b/src/aiida_pseudo/cli/params/arguments.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Reusable arguments for CLI commands.""" from aiida.cmdline.params.arguments.overridable import OverridableArgument diff --git a/src/aiida_pseudo/cli/params/options.py b/src/aiida_pseudo/cli/params/options.py index 445b8e1..d5362b6 100644 --- a/src/aiida_pseudo/cli/params/options.py +++ b/src/aiida_pseudo/cli/params/options.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Reusable options for CLI commands.""" import functools import shutil diff --git a/src/aiida_pseudo/cli/params/types.py b/src/aiida_pseudo/cli/params/types.py index 36da262..ec29273 100644 --- a/src/aiida_pseudo/cli/params/types.py +++ b/src/aiida_pseudo/cli/params/types.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Custom parameter types for command line interface commands.""" from __future__ import annotations diff --git a/src/aiida_pseudo/cli/root.py b/src/aiida_pseudo/cli/root.py index 7a2868b..aaf930c 100644 --- a/src/aiida_pseudo/cli/root.py +++ b/src/aiida_pseudo/cli/root.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Command line interface `aiida-pseudo`.""" import click from aiida.cmdline.groups.verdi import VerdiCommandGroup diff --git a/src/aiida_pseudo/cli/utils.py b/src/aiida_pseudo/cli/utils.py index 0b89e4e..867cdec 100644 --- a/src/aiida_pseudo/cli/utils.py +++ b/src/aiida_pseudo/cli/utils.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Command line interface utilities.""" from contextlib import contextmanager from pathlib import Path diff --git a/src/aiida_pseudo/common/__init__.py b/src/aiida_pseudo/common/__init__.py index 979456c..6823d2b 100644 --- a/src/aiida_pseudo/common/__init__.py +++ b/src/aiida_pseudo/common/__init__.py @@ -1,2 +1 @@ -# -*- coding: utf-8 -*- """Module with common resources.""" diff --git a/src/aiida_pseudo/common/units.py b/src/aiida_pseudo/common/units.py index 2d3cb0a..03ae06b 100644 --- a/src/aiida_pseudo/common/units.py +++ b/src/aiida_pseudo/common/units.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Module with constants for unit conversions.""" from pint import UnitRegistry diff --git a/src/aiida_pseudo/data/__init__.py b/src/aiida_pseudo/data/__init__.py index e7f3988..aa22deb 100644 --- a/src/aiida_pseudo/data/__init__.py +++ b/src/aiida_pseudo/data/__init__.py @@ -1,2 +1 @@ -# -*- coding: utf-8 -*- """Module with implementations of :class:`aiida.orm.nodes.data.Data` plugins.""" diff --git a/src/aiida_pseudo/data/pseudo/__init__.py b/src/aiida_pseudo/data/pseudo/__init__.py index ad3b465..60c0e61 100644 --- a/src/aiida_pseudo/data/pseudo/__init__.py +++ b/src/aiida_pseudo/data/pseudo/__init__.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Module with data plugins to represent pseudo potentials.""" from .jthxml import * from .pseudo import * diff --git a/src/aiida_pseudo/data/pseudo/jthxml.py b/src/aiida_pseudo/data/pseudo/jthxml.py index db7fd8b..4d0868c 100644 --- a/src/aiida_pseudo/data/pseudo/jthxml.py +++ b/src/aiida_pseudo/data/pseudo/jthxml.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Module for data plugin to represent a pseudo potential in JTH XML format.""" import pathlib import re diff --git a/src/aiida_pseudo/data/pseudo/pseudo.py b/src/aiida_pseudo/data/pseudo/pseudo.py index dca20dc..7719f1c 100644 --- a/src/aiida_pseudo/data/pseudo/pseudo.py +++ b/src/aiida_pseudo/data/pseudo/pseudo.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Base class for data types representing pseudo potentials.""" import io import pathlib diff --git a/src/aiida_pseudo/data/pseudo/psf.py b/src/aiida_pseudo/data/pseudo/psf.py index 19d7b8c..b60e31a 100644 --- a/src/aiida_pseudo/data/pseudo/psf.py +++ b/src/aiida_pseudo/data/pseudo/psf.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Module for data plugin to represent a pseudo potential in PSF format.""" import pathlib import re diff --git a/src/aiida_pseudo/data/pseudo/psml.py b/src/aiida_pseudo/data/pseudo/psml.py index 9667b48..1b76bd6 100644 --- a/src/aiida_pseudo/data/pseudo/psml.py +++ b/src/aiida_pseudo/data/pseudo/psml.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Module for data plugin to represent a pseudo potential in PSML format.""" import pathlib import re diff --git a/src/aiida_pseudo/data/pseudo/psp8.py b/src/aiida_pseudo/data/pseudo/psp8.py index 274e52a..bf00e93 100644 --- a/src/aiida_pseudo/data/pseudo/psp8.py +++ b/src/aiida_pseudo/data/pseudo/psp8.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Module for data plugin to represent a pseudo potential in Psp8 format.""" import pathlib import typing diff --git a/src/aiida_pseudo/data/pseudo/upf.py b/src/aiida_pseudo/data/pseudo/upf.py index 5bc4a32..608ee54 100644 --- a/src/aiida_pseudo/data/pseudo/upf.py +++ b/src/aiida_pseudo/data/pseudo/upf.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Module for data plugin to represent a pseudo potential in UPF format.""" import pathlib import re diff --git a/src/aiida_pseudo/data/pseudo/vps.py b/src/aiida_pseudo/data/pseudo/vps.py index fe733a5..7ef167f 100644 --- a/src/aiida_pseudo/data/pseudo/vps.py +++ b/src/aiida_pseudo/data/pseudo/vps.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Module for data plugin to represent a pseudo potential in VPS format.""" import pathlib import re diff --git a/src/aiida_pseudo/groups/__init__.py b/src/aiida_pseudo/groups/__init__.py index c6f8c17..18e1bfe 100644 --- a/src/aiida_pseudo/groups/__init__.py +++ b/src/aiida_pseudo/groups/__init__.py @@ -1,2 +1 @@ -# -*- coding: utf-8 -*- """Module with implementations of :class:`aiida.orm.groups.Group` plugins.""" diff --git a/src/aiida_pseudo/groups/family/__init__.py b/src/aiida_pseudo/groups/family/__init__.py index eb89279..65ec88f 100644 --- a/src/aiida_pseudo/groups/family/__init__.py +++ b/src/aiida_pseudo/groups/family/__init__.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Module with group plugins to represent pseudo potential families.""" from .cutoffs import * from .pseudo import * diff --git a/src/aiida_pseudo/groups/family/cutoffs.py b/src/aiida_pseudo/groups/family/cutoffs.py index 8c2b5e6..c1bee11 100644 --- a/src/aiida_pseudo/groups/family/cutoffs.py +++ b/src/aiida_pseudo/groups/family/cutoffs.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Subclass of ``PseudoPotentialFamily`` designed to represent a family with recommended cutoffs.""" from ..mixins import RecommendedCutoffMixin from .pseudo import PseudoPotentialFamily diff --git a/src/aiida_pseudo/groups/family/pseudo.py b/src/aiida_pseudo/groups/family/pseudo.py index e5187e2..4463668 100644 --- a/src/aiida_pseudo/groups/family/pseudo.py +++ b/src/aiida_pseudo/groups/family/pseudo.py @@ -1,4 +1,3 @@ -# -*- 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 diff --git a/src/aiida_pseudo/groups/family/pseudo_dojo.py b/src/aiida_pseudo/groups/family/pseudo_dojo.py index af6312f..7ffc33b 100644 --- a/src/aiida_pseudo/groups/family/pseudo_dojo.py +++ b/src/aiida_pseudo/groups/family/pseudo_dojo.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Subclass of `PseudoPotentialFamily` designed to represent a PseudoDojo configuration.""" from __future__ import annotations diff --git a/src/aiida_pseudo/groups/family/sssp.py b/src/aiida_pseudo/groups/family/sssp.py index 45beb9b..d1b7f32 100644 --- a/src/aiida_pseudo/groups/family/sssp.py +++ b/src/aiida_pseudo/groups/family/sssp.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Subclass of ``PseudoPotentialFamily`` designed to represent an SSSP configuration.""" from typing import NamedTuple, Optional, Sequence diff --git a/src/aiida_pseudo/groups/mixins/__init__.py b/src/aiida_pseudo/groups/mixins/__init__.py index 9d1b576..ccdc744 100644 --- a/src/aiida_pseudo/groups/mixins/__init__.py +++ b/src/aiida_pseudo/groups/mixins/__init__.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Module containing various mixins for ``Group`` subclasses.""" from .cutoffs import * diff --git a/src/aiida_pseudo/groups/mixins/cutoffs.py b/src/aiida_pseudo/groups/mixins/cutoffs.py index e47bf4f..e19ba92 100644 --- a/src/aiida_pseudo/groups/mixins/cutoffs.py +++ b/src/aiida_pseudo/groups/mixins/cutoffs.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Mixin that adds support of recommended cutoffs to a ``Group`` subclass, using its extras.""" import warnings from typing import Optional diff --git a/tests/__init__.py b/tests/__init__.py index bc3708e..402b6ae 100644 --- a/tests/__init__.py +++ b/tests/__init__.py @@ -1,2 +1 @@ -# -*- coding: utf-8 -*- """Tests for the :mod:`aiida_pseudo` module.""" diff --git a/tests/cli/__init__.py b/tests/cli/__init__.py index 20c6466..638b907 100644 --- a/tests/cli/__init__.py +++ b/tests/cli/__init__.py @@ -1,2 +1 @@ -# -*- coding: utf-8 -*- """Tests for the :mod:`aiida_pseudo.cli` module.""" diff --git a/tests/cli/params/__init__.py b/tests/cli/params/__init__.py index 42d21b1..6cf2e10 100644 --- a/tests/cli/params/__init__.py +++ b/tests/cli/params/__init__.py @@ -1,2 +1 @@ -# -*- coding: utf-8 -*- """Tests for the :mod:`aiida_pseudo.cli.params` module.""" diff --git a/tests/cli/params/test_types.py b/tests/cli/params/test_types.py index 78083a0..e5f5fb4 100644 --- a/tests/cli/params/test_types.py +++ b/tests/cli/params/test_types.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Tests for the :mod:`~aiida_pseudo.cli.params.types` module.""" import click import pytest diff --git a/tests/cli/test_family.py b/tests/cli/test_family.py index 71c151a..0463527 100644 --- a/tests/cli/test_family.py +++ b/tests/cli/test_family.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Tests for the command `aiida-pseudo family`.""" import json from copy import deepcopy diff --git a/tests/cli/test_install.py b/tests/cli/test_install.py index 7c11784..69f659a 100644 --- a/tests/cli/test_install.py +++ b/tests/cli/test_install.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Tests for `aiida-pseudo install`.""" import contextlib import json diff --git a/tests/cli/test_list.py b/tests/cli/test_list.py index 8e3d250..dcf2178 100644 --- a/tests/cli/test_list.py +++ b/tests/cli/test_list.py @@ -1,4 +1,3 @@ -# -*- 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 diff --git a/tests/cli/test_root.py b/tests/cli/test_root.py index 3adb41c..d3433ef 100644 --- a/tests/cli/test_root.py +++ b/tests/cli/test_root.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Tests for CLI commands.""" from __future__ import annotations diff --git a/tests/cli/test_utils.py b/tests/cli/test_utils.py index 75f3874..965e8b0 100644 --- a/tests/cli/test_utils.py +++ b/tests/cli/test_utils.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Test the command line interface utilities.""" import shutil import tarfile diff --git a/tests/conftest.py b/tests/conftest.py index 0468071..9206f37 100644 --- a/tests/conftest.py +++ b/tests/conftest.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Configuration and fixtures for unit test suite.""" import io import os diff --git a/tests/data/__init__.py b/tests/data/__init__.py index d173600..714978e 100644 --- a/tests/data/__init__.py +++ b/tests/data/__init__.py @@ -1,2 +1 @@ -# -*- coding: utf-8 -*- """Tests for the :mod:`aiida_pseudo.data` module.""" diff --git a/tests/data/pseudo/__init__.py b/tests/data/pseudo/__init__.py index 5840565..0f8a064 100644 --- a/tests/data/pseudo/__init__.py +++ b/tests/data/pseudo/__init__.py @@ -1,2 +1 @@ -# -*- coding: utf-8 -*- """Tests for the :mod:`aiida_pseudo.data.pseudo` module.""" diff --git a/tests/data/pseudo/test_common.py b/tests/data/pseudo/test_common.py index 7c6fb04..d3d183b 100644 --- a/tests/data/pseudo/test_common.py +++ b/tests/data/pseudo/test_common.py @@ -1,4 +1,3 @@ -# -*- 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 diff --git a/tests/data/pseudo/test_jthxml.py b/tests/data/pseudo/test_jthxml.py index 8a6f763..cf16506 100644 --- a/tests/data/pseudo/test_jthxml.py +++ b/tests/data/pseudo/test_jthxml.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Tests for the :py:`~aiida_pseudo.data.pseudo.jthxml` module.""" import io import pathlib diff --git a/tests/data/pseudo/test_pseudo.py b/tests/data/pseudo/test_pseudo.py index 0bd9a03..db0e992 100644 --- a/tests/data/pseudo/test_pseudo.py +++ b/tests/data/pseudo/test_pseudo.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Tests for the :py:mod:`~aiida_pseudo.data.pseudo.pseudo` module.""" import io import pathlib diff --git a/tests/data/pseudo/test_psf.py b/tests/data/pseudo/test_psf.py index 309a33c..92697a0 100644 --- a/tests/data/pseudo/test_psf.py +++ b/tests/data/pseudo/test_psf.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Tests for the :py:`~aiida_pseudo.data.pseudo.psf` module.""" import io import pathlib diff --git a/tests/data/pseudo/test_psml.py b/tests/data/pseudo/test_psml.py index 11ba011..50c0636 100644 --- a/tests/data/pseudo/test_psml.py +++ b/tests/data/pseudo/test_psml.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Tests for the :py:`~aiida_pseudo.data.pseudo.psml` module.""" import io import pathlib diff --git a/tests/data/pseudo/test_psp8.py b/tests/data/pseudo/test_psp8.py index 7522441..94d8c73 100644 --- a/tests/data/pseudo/test_psp8.py +++ b/tests/data/pseudo/test_psp8.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Tests for the :py:`~aiida_pseudo.data.pseudo.psp8` module.""" import io import pathlib diff --git a/tests/data/pseudo/test_upf.py b/tests/data/pseudo/test_upf.py index 0d233d6..2c03dca 100644 --- a/tests/data/pseudo/test_upf.py +++ b/tests/data/pseudo/test_upf.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Tests for the :py:`~aiida_pseudo.data.pseudo.upf` module.""" import io import pathlib diff --git a/tests/data/pseudo/test_vps.py b/tests/data/pseudo/test_vps.py index 55c2b56..a86d201 100644 --- a/tests/data/pseudo/test_vps.py +++ b/tests/data/pseudo/test_vps.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Tests for the :py:`~aiida_pseudo.data.pseudo.vps` module.""" import io import pathlib diff --git a/tests/groups/__init__.py b/tests/groups/__init__.py index 367236a..b090fd6 100644 --- a/tests/groups/__init__.py +++ b/tests/groups/__init__.py @@ -1,2 +1 @@ -# -*- coding: utf-8 -*- """Tests for the :mod:`aiida_pseudo.groups` module.""" diff --git a/tests/groups/family/__init__.py b/tests/groups/family/__init__.py index 619454f..418a85c 100644 --- a/tests/groups/family/__init__.py +++ b/tests/groups/family/__init__.py @@ -1,2 +1 @@ -# -*- coding: utf-8 -*- """Tests for the :mod:`aiida_pseudo.groups.family` module.""" diff --git a/tests/groups/family/test_pseudo.py b/tests/groups/family/test_pseudo.py index b9e1f9b..11380db 100644 --- a/tests/groups/family/test_pseudo.py +++ b/tests/groups/family/test_pseudo.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Tests for the `PseudoPotentialFamily` class.""" import shutil diff --git a/tests/groups/family/test_pseudo_dojo.py b/tests/groups/family/test_pseudo_dojo.py index 3692e97..88f3d7b 100644 --- a/tests/groups/family/test_pseudo_dojo.py +++ b/tests/groups/family/test_pseudo_dojo.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Tests for the `PseudoDojoFamily` class.""" import pytest from aiida_pseudo.data.pseudo import JthXmlData, PsmlData, Psp8Data, UpfData diff --git a/tests/groups/family/test_sssp.py b/tests/groups/family/test_sssp.py index c1d3efe..5db6fa4 100644 --- a/tests/groups/family/test_sssp.py +++ b/tests/groups/family/test_sssp.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Tests for the `SsspFamily` class.""" import pytest from aiida_pseudo.data.pseudo.upf import UpfData diff --git a/tests/groups/mixins/__init__.py b/tests/groups/mixins/__init__.py index 0a3216b..8c4c097 100644 --- a/tests/groups/mixins/__init__.py +++ b/tests/groups/mixins/__init__.py @@ -1,2 +1 @@ -# -*- coding: utf-8 -*- """Tests for the :mod:`aiida_pseudo.groups.mixins` module.""" diff --git a/tests/groups/mixins/test_cutoffs.py b/tests/groups/mixins/test_cutoffs.py index 82b7a0d..aefceee 100644 --- a/tests/groups/mixins/test_cutoffs.py +++ b/tests/groups/mixins/test_cutoffs.py @@ -1,4 +1,3 @@ -# -*- coding: utf-8 -*- """Tests for the :mod:`aiida_pseudo.groups.mixins.cutoffs` module.""" import copy