From d09dc47b960cb1f59e99e2254509ce5244b540ce Mon Sep 17 00:00:00 2001
From: Sebastiaan Huber <mail@sphuber.net>
Date: Mon, 26 Feb 2024 14:06:00 +0100
Subject: [PATCH] Devops: Update the pre-commit hooks

* Add `check-merge-conflict`
* Add `check-yaml`
* Add `--fix=lf` to `mixed-line-ending`
  This is more explicit and prevents ambiguity
* Add `--remove` to `fix-encoding-pragma`
  This pragma was really only necessary during the Python 2 to 3
  transition.
---
 .github/workflows/validate_release_tag.py                     | 1 -
 .pre-commit-config.yaml                                       | 4 ++++
 docs/source/conf.py                                           | 2 --
 src/aiida_common_workflows/__init__.py                        | 1 -
 src/aiida_common_workflows/cli/__init__.py                    | 2 --
 src/aiida_common_workflows/cli/launch.py                      | 1 -
 src/aiida_common_workflows/cli/options.py                     | 1 -
 src/aiida_common_workflows/cli/plot.py                        | 1 -
 src/aiida_common_workflows/cli/root.py                        | 1 -
 src/aiida_common_workflows/cli/utils.py                       | 1 -
 src/aiida_common_workflows/common/__init__.py                 | 1 -
 src/aiida_common_workflows/common/types.py                    | 1 -
 .../common/visualization/dissociation.py                      | 1 -
 src/aiida_common_workflows/common/visualization/eos.py        | 1 -
 src/aiida_common_workflows/generators/__init__.py             | 1 -
 src/aiida_common_workflows/generators/generator.py            | 1 -
 src/aiida_common_workflows/generators/ports.py                | 1 -
 src/aiida_common_workflows/generators/spec.py                 | 1 -
 src/aiida_common_workflows/plugins/__init__.py                | 1 -
 src/aiida_common_workflows/plugins/entry_point.py             | 1 -
 src/aiida_common_workflows/protocol/__init__.py               | 2 --
 src/aiida_common_workflows/protocol/registry.py               | 2 --
 src/aiida_common_workflows/utils/sphinx_extension/__init__.py | 1 -
 .../utils/sphinx_extension/input_generator.py                 | 1 -
 src/aiida_common_workflows/workflows/bands/__init__.py        | 2 --
 src/aiida_common_workflows/workflows/bands/generator.py       | 1 -
 src/aiida_common_workflows/workflows/bands/siesta/__init__.py | 2 --
 .../workflows/bands/siesta/generator.py                       | 1 -
 .../workflows/bands/siesta/workchain.py                       | 1 -
 src/aiida_common_workflows/workflows/bands/workchain.py       | 1 -
 src/aiida_common_workflows/workflows/dissociation.py          | 1 -
 src/aiida_common_workflows/workflows/eos.py                   | 1 -
 src/aiida_common_workflows/workflows/relax/__init__.py        | 2 --
 src/aiida_common_workflows/workflows/relax/abinit/__init__.py | 2 --
 .../workflows/relax/abinit/extractors.py                      | 1 -
 .../workflows/relax/abinit/generator.py                       | 1 -
 .../workflows/relax/abinit/workchain.py                       | 1 -
 src/aiida_common_workflows/workflows/relax/bigdft/__init__.py | 2 --
 .../workflows/relax/bigdft/generator.py                       | 1 -
 .../workflows/relax/bigdft/workchain.py                       | 1 -
 src/aiida_common_workflows/workflows/relax/castep/__init__.py | 2 --
 .../workflows/relax/castep/extractors.py                      | 1 -
 .../workflows/relax/castep/generator.py                       | 1 -
 .../workflows/relax/castep/workchain.py                       | 1 -
 src/aiida_common_workflows/workflows/relax/cp2k/__init__.py   | 2 --
 src/aiida_common_workflows/workflows/relax/cp2k/generator.py  | 1 -
 src/aiida_common_workflows/workflows/relax/cp2k/workchain.py  | 1 -
 src/aiida_common_workflows/workflows/relax/fleur/__init__.py  | 2 --
 .../workflows/relax/fleur/extractors.py                       | 1 -
 src/aiida_common_workflows/workflows/relax/fleur/generator.py | 1 -
 src/aiida_common_workflows/workflows/relax/fleur/workchain.py | 1 -
 .../workflows/relax/gaussian/__init__.py                      | 2 --
 .../workflows/relax/gaussian/generator.py                     | 1 -
 .../workflows/relax/gaussian/workchain.py                     | 1 -
 src/aiida_common_workflows/workflows/relax/generator.py       | 1 -
 src/aiida_common_workflows/workflows/relax/gpaw/__init__.py   | 2 --
 src/aiida_common_workflows/workflows/relax/gpaw/generator.py  | 1 -
 src/aiida_common_workflows/workflows/relax/gpaw/workchain.py  | 1 -
 src/aiida_common_workflows/workflows/relax/nwchem/__init__.py | 2 --
 .../workflows/relax/nwchem/generator.py                       | 1 -
 .../workflows/relax/nwchem/workchain.py                       | 1 -
 src/aiida_common_workflows/workflows/relax/orca/__init__.py   | 2 --
 src/aiida_common_workflows/workflows/relax/orca/generator.py  | 1 -
 src/aiida_common_workflows/workflows/relax/orca/workchain.py  | 1 -
 .../workflows/relax/quantum_espresso/__init__.py              | 2 --
 .../workflows/relax/quantum_espresso/extractors.py            | 1 -
 .../workflows/relax/quantum_espresso/generator.py             | 1 -
 .../workflows/relax/quantum_espresso/workchain.py             | 1 -
 src/aiida_common_workflows/workflows/relax/siesta/__init__.py | 2 --
 .../workflows/relax/siesta/extractors.py                      | 1 -
 .../workflows/relax/siesta/generator.py                       | 1 -
 .../workflows/relax/siesta/workchain.py                       | 1 -
 src/aiida_common_workflows/workflows/relax/vasp/__init__.py   | 2 --
 src/aiida_common_workflows/workflows/relax/vasp/extractors.py | 1 -
 src/aiida_common_workflows/workflows/relax/vasp/generator.py  | 1 -
 src/aiida_common_workflows/workflows/relax/vasp/workchain.py  | 1 -
 src/aiida_common_workflows/workflows/relax/wien2k/__init__.py | 2 --
 .../workflows/relax/wien2k/generator.py                       | 1 -
 .../workflows/relax/wien2k/workchain.py                       | 1 -
 src/aiida_common_workflows/workflows/relax/workchain.py       | 1 -
 tests/cli/test_launch.py                                      | 1 -
 tests/cli/test_options.py                                     | 2 --
 tests/cli/test_plot.py                                        | 1 -
 tests/cli/test_utils.py                                       | 1 -
 tests/conftest.py                                             | 2 --
 tests/generators/test_generator.py                            | 1 -
 tests/protocol/test_registry.py                               | 1 -
 tests/workflows/bands/test_implementations.py                 | 1 -
 tests/workflows/bands/test_workchain.py                       | 2 --
 .../workflows/dissociation_curve/test_workchain_diss_curve.py | 2 --
 tests/workflows/eos/test_workchain_eos.py                     | 2 --
 tests/workflows/relax/test_abinit.py                          | 1 -
 tests/workflows/relax/test_bigdft.py                          | 1 -
 tests/workflows/relax/test_castep.py                          | 1 -
 tests/workflows/relax/test_cp2k.py                            | 1 -
 tests/workflows/relax/test_fleur.py                           | 1 -
 tests/workflows/relax/test_gaussian.py                        | 1 -
 tests/workflows/relax/test_implementations.py                 | 1 -
 tests/workflows/relax/test_nwchem.py                          | 1 -
 tests/workflows/relax/test_orca.py                            | 1 -
 tests/workflows/relax/test_quantum_espresso.py                | 1 -
 tests/workflows/relax/test_siesta.py                          | 1 -
 tests/workflows/relax/test_vasp.py                            | 1 -
 tests/workflows/relax/test_workchain.py                       | 2 --
 104 files changed, 4 insertions(+), 129 deletions(-)

diff --git a/.github/workflows/validate_release_tag.py b/.github/workflows/validate_release_tag.py
index 272f9546..f55597ed 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 f4eb8d17..4640fca8 100644
--- a/.pre-commit-config.yaml
+++ b/.pre-commit-config.yaml
@@ -2,10 +2,14 @@ repos:
 -   repo: https://github.com/pre-commit/pre-commit-hooks
     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 6c95d861..d41e0afa 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -1,5 +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_common_workflows/__init__.py b/src/aiida_common_workflows/__init__.py
index 08b79bb9..b129e5b6 100644
--- a/src/aiida_common_workflows/__init__.py
+++ b/src/aiida_common_workflows/__init__.py
@@ -1,3 +1,2 @@
-# -*- coding: utf-8 -*-
 """Package that defines common interfaces for workflows that are implemented in AiiDA for various quantum engines."""
 __version__ = '1.0.1'
diff --git a/src/aiida_common_workflows/cli/__init__.py b/src/aiida_common_workflows/cli/__init__.py
index a678a2f6..ee34cfa7 100644
--- a/src/aiida_common_workflows/cli/__init__.py
+++ b/src/aiida_common_workflows/cli/__init__.py
@@ -1,5 +1,3 @@
-# -*- coding: utf-8 -*-
-
 """Module for the command line interface."""
 import click_completion
 
diff --git a/src/aiida_common_workflows/cli/launch.py b/src/aiida_common_workflows/cli/launch.py
index 857452ac..96c2c196 100644
--- a/src/aiida_common_workflows/cli/launch.py
+++ b/src/aiida_common_workflows/cli/launch.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Commands to launch common workflows."""
 import functools
 
diff --git a/src/aiida_common_workflows/cli/options.py b/src/aiida_common_workflows/cli/options.py
index 82567e0e..534d46d2 100644
--- a/src/aiida_common_workflows/cli/options.py
+++ b/src/aiida_common_workflows/cli/options.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Module with pre-defined options and defaults for CLI command parameters."""
 import json
 import pathlib
diff --git a/src/aiida_common_workflows/cli/plot.py b/src/aiida_common_workflows/cli/plot.py
index 3c8760f5..7993dde5 100644
--- a/src/aiida_common_workflows/cli/plot.py
+++ b/src/aiida_common_workflows/cli/plot.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Commands to plot results from a workflow."""
 import click
 from aiida.cmdline.params import arguments
diff --git a/src/aiida_common_workflows/cli/root.py b/src/aiida_common_workflows/cli/root.py
index d2e37b53..0a086452 100644
--- a/src/aiida_common_workflows/cli/root.py
+++ b/src/aiida_common_workflows/cli/root.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Command line interface ``acwf``."""
 import click
 from aiida.cmdline.groups import VerdiCommandGroup
diff --git a/src/aiida_common_workflows/cli/utils.py b/src/aiida_common_workflows/cli/utils.py
index 7abf4455..ac0cd77f 100644
--- a/src/aiida_common_workflows/cli/utils.py
+++ b/src/aiida_common_workflows/cli/utils.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Module with utitlies for the CLI."""
 import sys
 
diff --git a/src/aiida_common_workflows/common/__init__.py b/src/aiida_common_workflows/common/__init__.py
index 29ea1b2a..a4181245 100644
--- a/src/aiida_common_workflows/common/__init__.py
+++ b/src/aiida_common_workflows/common/__init__.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Module for resources common to the entire `aiida-common-workflows` package."""
 from .types import ElectronicType, RelaxType, SpinType
 
diff --git a/src/aiida_common_workflows/common/types.py b/src/aiida_common_workflows/common/types.py
index 727daee2..4fc006cc 100644
--- a/src/aiida_common_workflows/common/types.py
+++ b/src/aiida_common_workflows/common/types.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Module with basic type definitions."""
 from enum import Enum
 
diff --git a/src/aiida_common_workflows/common/visualization/dissociation.py b/src/aiida_common_workflows/common/visualization/dissociation.py
index c308e6a8..be072270 100644
--- a/src/aiida_common_workflows/common/visualization/dissociation.py
+++ b/src/aiida_common_workflows/common/visualization/dissociation.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Utilities to visualize a dissociation curve based on set of distances and energies."""
 import typing
 
diff --git a/src/aiida_common_workflows/common/visualization/eos.py b/src/aiida_common_workflows/common/visualization/eos.py
index 3b5d1ada..87a5cd25 100644
--- a/src/aiida_common_workflows/common/visualization/eos.py
+++ b/src/aiida_common_workflows/common/visualization/eos.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Utilities to fit and visualize a Equation of States based on set of volumes and energies."""
 import typing
 
diff --git a/src/aiida_common_workflows/generators/__init__.py b/src/aiida_common_workflows/generators/__init__.py
index c37d712a..2d76cd04 100644
--- a/src/aiida_common_workflows/generators/__init__.py
+++ b/src/aiida_common_workflows/generators/__init__.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Module with resources for input generators for workflows."""
 from .generator import InputGenerator
 from .ports import ChoiceType, CodeType, InputGeneratorPort
diff --git a/src/aiida_common_workflows/generators/generator.py b/src/aiida_common_workflows/generators/generator.py
index 8ddaf7a2..e56e0ba6 100644
--- a/src/aiida_common_workflows/generators/generator.py
+++ b/src/aiida_common_workflows/generators/generator.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Base class for an input generator for a common workflow."""
 import abc
 import copy
diff --git a/src/aiida_common_workflows/generators/ports.py b/src/aiida_common_workflows/generators/ports.py
index 068b964d..5a0b51b0 100644
--- a/src/aiida_common_workflows/generators/ports.py
+++ b/src/aiida_common_workflows/generators/ports.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Modules with resources to define specific port types for input generator specifications."""
 from __future__ import annotations
 
diff --git a/src/aiida_common_workflows/generators/spec.py b/src/aiida_common_workflows/generators/spec.py
index eb721860..abca6690 100644
--- a/src/aiida_common_workflows/generators/spec.py
+++ b/src/aiida_common_workflows/generators/spec.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Class to define the specification of an input generator."""
 from __future__ import annotations
 
diff --git a/src/aiida_common_workflows/plugins/__init__.py b/src/aiida_common_workflows/plugins/__init__.py
index 543a8395..2936a136 100644
--- a/src/aiida_common_workflows/plugins/__init__.py
+++ b/src/aiida_common_workflows/plugins/__init__.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Module with utilities for working with the plugins provided by this plugin package."""
 from .entry_point import get_entry_point_name_from_class, get_workflow_entry_point_names, load_workflow_entry_point
 
diff --git a/src/aiida_common_workflows/plugins/entry_point.py b/src/aiida_common_workflows/plugins/entry_point.py
index 4b96d31a..56337038 100644
--- a/src/aiida_common_workflows/plugins/entry_point.py
+++ b/src/aiida_common_workflows/plugins/entry_point.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Module with utilities for working with the plugins provided by this plugin package."""
 import typing
 
diff --git a/src/aiida_common_workflows/protocol/__init__.py b/src/aiida_common_workflows/protocol/__init__.py
index da316b32..9267c50c 100644
--- a/src/aiida_common_workflows/protocol/__init__.py
+++ b/src/aiida_common_workflows/protocol/__init__.py
@@ -1,5 +1,3 @@
-# -*- coding: utf-8 -*-
-
 """Module with utilities to define and implement workchain protocols."""
 from .registry import ProtocolRegistry
 
diff --git a/src/aiida_common_workflows/protocol/registry.py b/src/aiida_common_workflows/protocol/registry.py
index 72109465..e6a4557b 100644
--- a/src/aiida_common_workflows/protocol/registry.py
+++ b/src/aiida_common_workflows/protocol/registry.py
@@ -1,5 +1,3 @@
-# -*- coding: utf-8 -*-
-
 """Module with base protocol registry."""
 import copy
 import typing
diff --git a/src/aiida_common_workflows/utils/sphinx_extension/__init__.py b/src/aiida_common_workflows/utils/sphinx_extension/__init__.py
index e21313f6..f253e4d6 100644
--- a/src/aiida_common_workflows/utils/sphinx_extension/__init__.py
+++ b/src/aiida_common_workflows/utils/sphinx_extension/__init__.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Module with Spinx extension to facilitate the automatic documentation of common workflows."""
 
 
diff --git a/src/aiida_common_workflows/utils/sphinx_extension/input_generator.py b/src/aiida_common_workflows/utils/sphinx_extension/input_generator.py
index d4552385..7386a1ef 100644
--- a/src/aiida_common_workflows/utils/sphinx_extension/input_generator.py
+++ b/src/aiida_common_workflows/utils/sphinx_extension/input_generator.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Define a Restructured Text directive to auto-document :class:`aiida_common_workflows.generators.InputGenerator`."""
 import inspect
 import typing as t
diff --git a/src/aiida_common_workflows/workflows/bands/__init__.py b/src/aiida_common_workflows/workflows/bands/__init__.py
index 15bc1dfe..4bdfeea3 100644
--- a/src/aiida_common_workflows/workflows/bands/__init__.py
+++ b/src/aiida_common_workflows/workflows/bands/__init__.py
@@ -1,5 +1,3 @@
-# -*- coding: utf-8 -*-
-
 """Module with the base classes for the common bands workchains."""
 from .generator import *
 
diff --git a/src/aiida_common_workflows/workflows/bands/generator.py b/src/aiida_common_workflows/workflows/bands/generator.py
index 2d2c7073..1e4ee5e6 100644
--- a/src/aiida_common_workflows/workflows/bands/generator.py
+++ b/src/aiida_common_workflows/workflows/bands/generator.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Module with base input generator for the common bands workchains."""
 import abc
 
diff --git a/src/aiida_common_workflows/workflows/bands/siesta/__init__.py b/src/aiida_common_workflows/workflows/bands/siesta/__init__.py
index ffa90613..f6249b7a 100644
--- a/src/aiida_common_workflows/workflows/bands/siesta/__init__.py
+++ b/src/aiida_common_workflows/workflows/bands/siesta/__init__.py
@@ -1,5 +1,3 @@
-# -*- coding: utf-8 -*-
-
 """Module with the implementations of the common bands workchain for Siesta."""
 from .generator import *
 from .workchain import *
diff --git a/src/aiida_common_workflows/workflows/bands/siesta/generator.py b/src/aiida_common_workflows/workflows/bands/siesta/generator.py
index 0ad334a6..7278a495 100644
--- a/src/aiida_common_workflows/workflows/bands/siesta/generator.py
+++ b/src/aiida_common_workflows/workflows/bands/siesta/generator.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Implementation of `aiida_common_workflows.common.bands.generator.CommonBandsInputGenerator` for SIESTA."""
 from aiida import engine, orm
 
diff --git a/src/aiida_common_workflows/workflows/bands/siesta/workchain.py b/src/aiida_common_workflows/workflows/bands/siesta/workchain.py
index b5f495fb..7ff6d89d 100644
--- a/src/aiida_common_workflows/workflows/bands/siesta/workchain.py
+++ b/src/aiida_common_workflows/workflows/bands/siesta/workchain.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Implementation of `aiida_common_workflows.common.relax.workchain.CommonRelaxWorkChain` for SIESTA."""
 from aiida.engine import calcfunction
 from aiida.orm import Float
diff --git a/src/aiida_common_workflows/workflows/bands/workchain.py b/src/aiida_common_workflows/workflows/bands/workchain.py
index ef7fb26b..53444f59 100644
--- a/src/aiida_common_workflows/workflows/bands/workchain.py
+++ b/src/aiida_common_workflows/workflows/bands/workchain.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Module with base wrapper workchain for bands workchains."""
 from abc import ABCMeta, abstractmethod
 
diff --git a/src/aiida_common_workflows/workflows/dissociation.py b/src/aiida_common_workflows/workflows/dissociation.py
index e92dabe0..30ad4cef 100644
--- a/src/aiida_common_workflows/workflows/dissociation.py
+++ b/src/aiida_common_workflows/workflows/dissociation.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """
 Workflow calculating the dissociation curve of diatomic molecules.
 It can use any code plugin implementing the common relax workflow.
diff --git a/src/aiida_common_workflows/workflows/eos.py b/src/aiida_common_workflows/workflows/eos.py
index dcad7ef3..03d238c2 100644
--- a/src/aiida_common_workflows/workflows/eos.py
+++ b/src/aiida_common_workflows/workflows/eos.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Equation of state workflow that can use any code plugin implementing the common relax workflow."""
 import inspect
 
diff --git a/src/aiida_common_workflows/workflows/relax/__init__.py b/src/aiida_common_workflows/workflows/relax/__init__.py
index 0d6a7905..996a1fdc 100644
--- a/src/aiida_common_workflows/workflows/relax/__init__.py
+++ b/src/aiida_common_workflows/workflows/relax/__init__.py
@@ -1,5 +1,3 @@
-# -*- coding: utf-8 -*-
-
 """Module with the base classes for the common structure relaxation workchains."""
 from .generator import *
 
diff --git a/src/aiida_common_workflows/workflows/relax/abinit/__init__.py b/src/aiida_common_workflows/workflows/relax/abinit/__init__.py
index b30341e0..97e4a121 100644
--- a/src/aiida_common_workflows/workflows/relax/abinit/__init__.py
+++ b/src/aiida_common_workflows/workflows/relax/abinit/__init__.py
@@ -1,5 +1,3 @@
-# -*- coding: utf-8 -*-
-
 """Module with the implementations of the common structure relaxation workchain for Abinit."""
 from .generator import *
 from .workchain import *
diff --git a/src/aiida_common_workflows/workflows/relax/abinit/extractors.py b/src/aiida_common_workflows/workflows/relax/abinit/extractors.py
index 2b7c5126..a374b02f 100644
--- a/src/aiida_common_workflows/workflows/relax/abinit/extractors.py
+++ b/src/aiida_common_workflows/workflows/relax/abinit/extractors.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """
 Collects some functions to postprocess a `CommonWorkflowAbinitWorkChain`.
 """
diff --git a/src/aiida_common_workflows/workflows/relax/abinit/generator.py b/src/aiida_common_workflows/workflows/relax/abinit/generator.py
index 7d7c09ae..9d69595b 100644
--- a/src/aiida_common_workflows/workflows/relax/abinit/generator.py
+++ b/src/aiida_common_workflows/workflows/relax/abinit/generator.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Implementation of `aiida_common_workflows.common.relax.generator.CommonRelaxInputGenerator` for ABINIT."""
 import collections
 import copy
diff --git a/src/aiida_common_workflows/workflows/relax/abinit/workchain.py b/src/aiida_common_workflows/workflows/relax/abinit/workchain.py
index 44c941ac..52083421 100644
--- a/src/aiida_common_workflows/workflows/relax/abinit/workchain.py
+++ b/src/aiida_common_workflows/workflows/relax/abinit/workchain.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Implementation of `aiida_common_workflows.common.relax.workchain.CommonRelaxWorkChain` for Abinit."""
 import numpy as np
 from aiida import orm
diff --git a/src/aiida_common_workflows/workflows/relax/bigdft/__init__.py b/src/aiida_common_workflows/workflows/relax/bigdft/__init__.py
index b0ce8298..23b38bd8 100644
--- a/src/aiida_common_workflows/workflows/relax/bigdft/__init__.py
+++ b/src/aiida_common_workflows/workflows/relax/bigdft/__init__.py
@@ -1,5 +1,3 @@
-# -*- coding: utf-8 -*-
-
 """Module with the implementations of the common structure relaxation workchain for BigDFT."""
 from .generator import *
 from .workchain import *
diff --git a/src/aiida_common_workflows/workflows/relax/bigdft/generator.py b/src/aiida_common_workflows/workflows/relax/bigdft/generator.py
index bc9ec93b..fb936ba5 100644
--- a/src/aiida_common_workflows/workflows/relax/bigdft/generator.py
+++ b/src/aiida_common_workflows/workflows/relax/bigdft/generator.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Implementation of `aiida_common_workflows.common.relax.generator.CommonRelaxInputGenerator` for BigDFT."""
 import typing as t
 
diff --git a/src/aiida_common_workflows/workflows/relax/bigdft/workchain.py b/src/aiida_common_workflows/workflows/relax/bigdft/workchain.py
index 5d1ad686..4d036783 100644
--- a/src/aiida_common_workflows/workflows/relax/bigdft/workchain.py
+++ b/src/aiida_common_workflows/workflows/relax/bigdft/workchain.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Implementation of `aiida_common_workflows.common.relax.workchain.CommonRelaxWorkChain` for BigDFT"""
 from aiida.plugins import WorkflowFactory
 
diff --git a/src/aiida_common_workflows/workflows/relax/castep/__init__.py b/src/aiida_common_workflows/workflows/relax/castep/__init__.py
index 3aa6a6fa..652aac32 100644
--- a/src/aiida_common_workflows/workflows/relax/castep/__init__.py
+++ b/src/aiida_common_workflows/workflows/relax/castep/__init__.py
@@ -1,5 +1,3 @@
-# -*- coding: utf-8 -*-
-
 """Module with the implementations of the common structure relaxation workchain for CASTEP"""
 from .generator import *
 from .workchain import *
diff --git a/src/aiida_common_workflows/workflows/relax/castep/extractors.py b/src/aiida_common_workflows/workflows/relax/castep/extractors.py
index c419dc35..007c005d 100644
--- a/src/aiida_common_workflows/workflows/relax/castep/extractors.py
+++ b/src/aiida_common_workflows/workflows/relax/castep/extractors.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """
 Collects some functions to postprocess a `CastepCommonRelaxWorkChain`.
 """
diff --git a/src/aiida_common_workflows/workflows/relax/castep/generator.py b/src/aiida_common_workflows/workflows/relax/castep/generator.py
index dffd20e5..1f380356 100644
--- a/src/aiida_common_workflows/workflows/relax/castep/generator.py
+++ b/src/aiida_common_workflows/workflows/relax/castep/generator.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Implementation of `aiida_common_workflows.common.relax.generator.CommonRelaxInputGenerator` for CASTEP"""
 import collections
 import copy
diff --git a/src/aiida_common_workflows/workflows/relax/castep/workchain.py b/src/aiida_common_workflows/workflows/relax/castep/workchain.py
index 118d2d60..cd0e1559 100644
--- a/src/aiida_common_workflows/workflows/relax/castep/workchain.py
+++ b/src/aiida_common_workflows/workflows/relax/castep/workchain.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Implementation of `aiida_common_workflows.common.relax.workchain.CommonRelaxWorkChain` for CASTEP"""
 from aiida import orm
 from aiida.engine import calcfunction
diff --git a/src/aiida_common_workflows/workflows/relax/cp2k/__init__.py b/src/aiida_common_workflows/workflows/relax/cp2k/__init__.py
index c176cf43..c698c74f 100644
--- a/src/aiida_common_workflows/workflows/relax/cp2k/__init__.py
+++ b/src/aiida_common_workflows/workflows/relax/cp2k/__init__.py
@@ -1,5 +1,3 @@
-# -*- coding: utf-8 -*-
-
 """Module with the implementations of the common structure relaxation workchain for CP2K."""
 from .generator import *
 from .workchain import *
diff --git a/src/aiida_common_workflows/workflows/relax/cp2k/generator.py b/src/aiida_common_workflows/workflows/relax/cp2k/generator.py
index 946eeb3a..8bff177e 100644
--- a/src/aiida_common_workflows/workflows/relax/cp2k/generator.py
+++ b/src/aiida_common_workflows/workflows/relax/cp2k/generator.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Implementation of `aiida_common_workflows.common.relax.generator.CommonRelaxInputGenerator` for CP2K."""
 import collections
 import pathlib
diff --git a/src/aiida_common_workflows/workflows/relax/cp2k/workchain.py b/src/aiida_common_workflows/workflows/relax/cp2k/workchain.py
index 0d5cae2a..d25d53fa 100644
--- a/src/aiida_common_workflows/workflows/relax/cp2k/workchain.py
+++ b/src/aiida_common_workflows/workflows/relax/cp2k/workchain.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Implementation of `aiida_common_workflows.common.relax.workchain.CommonRelaxWorkChain` for CP2K."""
 import re
 
diff --git a/src/aiida_common_workflows/workflows/relax/fleur/__init__.py b/src/aiida_common_workflows/workflows/relax/fleur/__init__.py
index 806961fa..f9a77cab 100644
--- a/src/aiida_common_workflows/workflows/relax/fleur/__init__.py
+++ b/src/aiida_common_workflows/workflows/relax/fleur/__init__.py
@@ -1,5 +1,3 @@
-# -*- coding: utf-8 -*-
-
 """Module with the implementations of the common structure relaxation workchain for FLEUR."""
 from .generator import *
 from .workchain import *
diff --git a/src/aiida_common_workflows/workflows/relax/fleur/extractors.py b/src/aiida_common_workflows/workflows/relax/fleur/extractors.py
index 5a302d59..8723b25d 100644
--- a/src/aiida_common_workflows/workflows/relax/fleur/extractors.py
+++ b/src/aiida_common_workflows/workflows/relax/fleur/extractors.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """
 Collects some functions to postprocess a `FleurCommonRelaxWorkChain`.
 """
diff --git a/src/aiida_common_workflows/workflows/relax/fleur/generator.py b/src/aiida_common_workflows/workflows/relax/fleur/generator.py
index 7077a6a9..d1c82d93 100644
--- a/src/aiida_common_workflows/workflows/relax/fleur/generator.py
+++ b/src/aiida_common_workflows/workflows/relax/fleur/generator.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Implementation of `aiida_common_workflows.common.relax.generator.CommonRelaxInputGenerator` for FLEUR."""
 import collections
 import pathlib
diff --git a/src/aiida_common_workflows/workflows/relax/fleur/workchain.py b/src/aiida_common_workflows/workflows/relax/fleur/workchain.py
index 6c4c1291..29e2baee 100644
--- a/src/aiida_common_workflows/workflows/relax/fleur/workchain.py
+++ b/src/aiida_common_workflows/workflows/relax/fleur/workchain.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Implementation of `aiida_common_workflows.common.relax.workchain.CommonRelaxWorkChain` for FLEUR (www.flapw.de)."""
 from aiida import orm
 from aiida.engine import calcfunction
diff --git a/src/aiida_common_workflows/workflows/relax/gaussian/__init__.py b/src/aiida_common_workflows/workflows/relax/gaussian/__init__.py
index 84fddd69..08d0ff52 100644
--- a/src/aiida_common_workflows/workflows/relax/gaussian/__init__.py
+++ b/src/aiida_common_workflows/workflows/relax/gaussian/__init__.py
@@ -1,5 +1,3 @@
-# -*- coding: utf-8 -*-
-
 """Module with the implementations of the common structure relaxation workchain for Gaussian."""
 from .generator import *
 from .workchain import *
diff --git a/src/aiida_common_workflows/workflows/relax/gaussian/generator.py b/src/aiida_common_workflows/workflows/relax/gaussian/generator.py
index fc5fe840..b5792da3 100644
--- a/src/aiida_common_workflows/workflows/relax/gaussian/generator.py
+++ b/src/aiida_common_workflows/workflows/relax/gaussian/generator.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Implementation of `aiida_common_workflows.common.relax.generator.CommonRelaxInputGenerator` for Gaussian."""
 import copy
 import typing as t
diff --git a/src/aiida_common_workflows/workflows/relax/gaussian/workchain.py b/src/aiida_common_workflows/workflows/relax/gaussian/workchain.py
index b5c815ea..e2aca305 100644
--- a/src/aiida_common_workflows/workflows/relax/gaussian/workchain.py
+++ b/src/aiida_common_workflows/workflows/relax/gaussian/workchain.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Implementation of `aiida_common_workflows.common.relax.workchain.CommonRelaxWorkChain` for Gaussian."""
 import numpy as np
 from aiida import orm
diff --git a/src/aiida_common_workflows/workflows/relax/generator.py b/src/aiida_common_workflows/workflows/relax/generator.py
index b23a41b8..ab4c1d9e 100644
--- a/src/aiida_common_workflows/workflows/relax/generator.py
+++ b/src/aiida_common_workflows/workflows/relax/generator.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Module with base input generator for the common structure relax workchains."""
 import abc
 
diff --git a/src/aiida_common_workflows/workflows/relax/gpaw/__init__.py b/src/aiida_common_workflows/workflows/relax/gpaw/__init__.py
index ff5e0065..0fc8199b 100644
--- a/src/aiida_common_workflows/workflows/relax/gpaw/__init__.py
+++ b/src/aiida_common_workflows/workflows/relax/gpaw/__init__.py
@@ -1,5 +1,3 @@
-# -*- coding: utf-8 -*-
-
 """Module with the implementations of the common structure relaxation workchain for GPAW."""
 from .generator import *
 from .workchain import *
diff --git a/src/aiida_common_workflows/workflows/relax/gpaw/generator.py b/src/aiida_common_workflows/workflows/relax/gpaw/generator.py
index a21e306c..27392d5c 100644
--- a/src/aiida_common_workflows/workflows/relax/gpaw/generator.py
+++ b/src/aiida_common_workflows/workflows/relax/gpaw/generator.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Implementation of `aiida_common_workflows.common.relax.generator.CommonRelaxInputGenerator` for GPAW."""
 from __future__ import annotations
 
diff --git a/src/aiida_common_workflows/workflows/relax/gpaw/workchain.py b/src/aiida_common_workflows/workflows/relax/gpaw/workchain.py
index 9cabbd78..033c319f 100644
--- a/src/aiida_common_workflows/workflows/relax/gpaw/workchain.py
+++ b/src/aiida_common_workflows/workflows/relax/gpaw/workchain.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Implementation of `aiida_common_workflows.common.relax.workchain.CommonRelaxWorkChain` for GPAW."""
 from aiida import orm
 from aiida.engine import calcfunction
diff --git a/src/aiida_common_workflows/workflows/relax/nwchem/__init__.py b/src/aiida_common_workflows/workflows/relax/nwchem/__init__.py
index 912c84e1..7f1fdbb6 100644
--- a/src/aiida_common_workflows/workflows/relax/nwchem/__init__.py
+++ b/src/aiida_common_workflows/workflows/relax/nwchem/__init__.py
@@ -1,5 +1,3 @@
-# -*- coding: utf-8 -*-
-
 """Module with the implementations of the common structure relaxation workchain for NWChem."""
 from .generator import *
 from .workchain import *
diff --git a/src/aiida_common_workflows/workflows/relax/nwchem/generator.py b/src/aiida_common_workflows/workflows/relax/nwchem/generator.py
index 25dd1014..0c597f0c 100644
--- a/src/aiida_common_workflows/workflows/relax/nwchem/generator.py
+++ b/src/aiida_common_workflows/workflows/relax/nwchem/generator.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Implementation of `aiida_common_workflows.common.relax.generator.CommonRelaxInputGenerator` for NWChem."""
 import pathlib
 import warnings
diff --git a/src/aiida_common_workflows/workflows/relax/nwchem/workchain.py b/src/aiida_common_workflows/workflows/relax/nwchem/workchain.py
index ed420dc4..f2275118 100644
--- a/src/aiida_common_workflows/workflows/relax/nwchem/workchain.py
+++ b/src/aiida_common_workflows/workflows/relax/nwchem/workchain.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Implementation of `aiida_common_workflows.common.relax.workchain.CommonRelaxWorkChain` for NWChem."""
 import numpy as np
 from aiida import orm
diff --git a/src/aiida_common_workflows/workflows/relax/orca/__init__.py b/src/aiida_common_workflows/workflows/relax/orca/__init__.py
index b84739e4..d56faa21 100644
--- a/src/aiida_common_workflows/workflows/relax/orca/__init__.py
+++ b/src/aiida_common_workflows/workflows/relax/orca/__init__.py
@@ -1,5 +1,3 @@
-# -*- coding: utf-8 -*-
-
 """Module with the implementations of the common structure relaxation workchain for Orca."""
 from .generator import *
 from .workchain import *
diff --git a/src/aiida_common_workflows/workflows/relax/orca/generator.py b/src/aiida_common_workflows/workflows/relax/orca/generator.py
index b6efa3e6..509a6131 100644
--- a/src/aiida_common_workflows/workflows/relax/orca/generator.py
+++ b/src/aiida_common_workflows/workflows/relax/orca/generator.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Implementation of `aiida_common_workflows.common.relax.generator.CommonRelaxInputGenerator` for Orca."""
 import os
 import warnings
diff --git a/src/aiida_common_workflows/workflows/relax/orca/workchain.py b/src/aiida_common_workflows/workflows/relax/orca/workchain.py
index 1a89a21b..b74a3097 100644
--- a/src/aiida_common_workflows/workflows/relax/orca/workchain.py
+++ b/src/aiida_common_workflows/workflows/relax/orca/workchain.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Implementation of `aiida_common_workflows.common.relax.workchain.CommonRelaxWorkChain` for Orca."""
 import numpy as np
 from aiida.engine import calcfunction
diff --git a/src/aiida_common_workflows/workflows/relax/quantum_espresso/__init__.py b/src/aiida_common_workflows/workflows/relax/quantum_espresso/__init__.py
index 2b10631c..bf29f09c 100644
--- a/src/aiida_common_workflows/workflows/relax/quantum_espresso/__init__.py
+++ b/src/aiida_common_workflows/workflows/relax/quantum_espresso/__init__.py
@@ -1,5 +1,3 @@
-# -*- coding: utf-8 -*-
-
 """Module with the implementations of the common structure relaxation workchain for Quantum ESPRESSO."""
 from .generator import *
 from .workchain import *
diff --git a/src/aiida_common_workflows/workflows/relax/quantum_espresso/extractors.py b/src/aiida_common_workflows/workflows/relax/quantum_espresso/extractors.py
index 5982bb5d..17a422ff 100644
--- a/src/aiida_common_workflows/workflows/relax/quantum_espresso/extractors.py
+++ b/src/aiida_common_workflows/workflows/relax/quantum_espresso/extractors.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """
 Post-processing extractor functions for the ``QuantumEspressoCommonRelaxWorkChain``.
 """
diff --git a/src/aiida_common_workflows/workflows/relax/quantum_espresso/generator.py b/src/aiida_common_workflows/workflows/relax/quantum_espresso/generator.py
index b258f42d..3d1cdfdf 100644
--- a/src/aiida_common_workflows/workflows/relax/quantum_espresso/generator.py
+++ b/src/aiida_common_workflows/workflows/relax/quantum_espresso/generator.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Implementation of `aiida_common_workflows.common.relax.generator.CommonRelaxInputGenerator` for Quantum ESPRESSO."""
 from importlib import resources
 
diff --git a/src/aiida_common_workflows/workflows/relax/quantum_espresso/workchain.py b/src/aiida_common_workflows/workflows/relax/quantum_espresso/workchain.py
index 22d571da..80887ab9 100644
--- a/src/aiida_common_workflows/workflows/relax/quantum_espresso/workchain.py
+++ b/src/aiida_common_workflows/workflows/relax/quantum_espresso/workchain.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Implementation of `aiida_common_workflows.common.relax.workchain.CommonRelaxWorkChain` for Quantum ESPRESSO."""
 import pint
 from aiida import orm
diff --git a/src/aiida_common_workflows/workflows/relax/siesta/__init__.py b/src/aiida_common_workflows/workflows/relax/siesta/__init__.py
index 82fce403..bab7231f 100644
--- a/src/aiida_common_workflows/workflows/relax/siesta/__init__.py
+++ b/src/aiida_common_workflows/workflows/relax/siesta/__init__.py
@@ -1,5 +1,3 @@
-# -*- coding: utf-8 -*-
-
 """Module with the implementations of the common structure relaxation workchain for Siesta."""
 from .generator import *
 from .workchain import *
diff --git a/src/aiida_common_workflows/workflows/relax/siesta/extractors.py b/src/aiida_common_workflows/workflows/relax/siesta/extractors.py
index 9373f219..cb5c8811 100644
--- a/src/aiida_common_workflows/workflows/relax/siesta/extractors.py
+++ b/src/aiida_common_workflows/workflows/relax/siesta/extractors.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """
 Collects some functions to postprocess a `CommonWorkflowSiestaWorkChain`.
 """
diff --git a/src/aiida_common_workflows/workflows/relax/siesta/generator.py b/src/aiida_common_workflows/workflows/relax/siesta/generator.py
index e3af78a8..a958f827 100644
--- a/src/aiida_common_workflows/workflows/relax/siesta/generator.py
+++ b/src/aiida_common_workflows/workflows/relax/siesta/generator.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Implementation of `aiida_common_workflows.common.relax.generator.CommonRelaxInputGenerator` for SIESTA."""
 import os
 
diff --git a/src/aiida_common_workflows/workflows/relax/siesta/workchain.py b/src/aiida_common_workflows/workflows/relax/siesta/workchain.py
index d1ef28bd..c61b7e36 100644
--- a/src/aiida_common_workflows/workflows/relax/siesta/workchain.py
+++ b/src/aiida_common_workflows/workflows/relax/siesta/workchain.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Implementation of `aiida_common_workflows.common.relax.workchain.CommonRelaxWorkChain` for SIESTA."""
 from aiida import orm
 from aiida.engine import calcfunction
diff --git a/src/aiida_common_workflows/workflows/relax/vasp/__init__.py b/src/aiida_common_workflows/workflows/relax/vasp/__init__.py
index f4361271..5b72a297 100644
--- a/src/aiida_common_workflows/workflows/relax/vasp/__init__.py
+++ b/src/aiida_common_workflows/workflows/relax/vasp/__init__.py
@@ -1,5 +1,3 @@
-# -*- coding: utf-8 -*-
-
 """Module with the implementations of the common structure relaxation workchain for VASP."""
 from .generator import *
 from .workchain import *
diff --git a/src/aiida_common_workflows/workflows/relax/vasp/extractors.py b/src/aiida_common_workflows/workflows/relax/vasp/extractors.py
index f56ec5eb..53308021 100644
--- a/src/aiida_common_workflows/workflows/relax/vasp/extractors.py
+++ b/src/aiida_common_workflows/workflows/relax/vasp/extractors.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """
 Collects some functions to postprocess a `VaspCommonRelaxWorkChain`.
 """
diff --git a/src/aiida_common_workflows/workflows/relax/vasp/generator.py b/src/aiida_common_workflows/workflows/relax/vasp/generator.py
index 6242cdb7..b5f9fbec 100644
--- a/src/aiida_common_workflows/workflows/relax/vasp/generator.py
+++ b/src/aiida_common_workflows/workflows/relax/vasp/generator.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Implementation of `aiida_common_workflows.common.relax.generator.CommonRelaxInputGenerator` for VASP."""
 import pathlib
 import typing as t
diff --git a/src/aiida_common_workflows/workflows/relax/vasp/workchain.py b/src/aiida_common_workflows/workflows/relax/vasp/workchain.py
index 475129df..79fd0222 100644
--- a/src/aiida_common_workflows/workflows/relax/vasp/workchain.py
+++ b/src/aiida_common_workflows/workflows/relax/vasp/workchain.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Implementation of `aiida_common_workflows.common.relax.workchain.CommonRelaxWorkChain` for VASP."""
 from aiida import orm
 from aiida.common.exceptions import NotExistentAttributeError
diff --git a/src/aiida_common_workflows/workflows/relax/wien2k/__init__.py b/src/aiida_common_workflows/workflows/relax/wien2k/__init__.py
index d407abe7..49d6690b 100644
--- a/src/aiida_common_workflows/workflows/relax/wien2k/__init__.py
+++ b/src/aiida_common_workflows/workflows/relax/wien2k/__init__.py
@@ -1,5 +1,3 @@
-# -*- coding: utf-8 -*-
-
 """Module with the implementations of the common structure relaxation workchain for Wien2k."""
 from .generator import *
 from .workchain import *
diff --git a/src/aiida_common_workflows/workflows/relax/wien2k/generator.py b/src/aiida_common_workflows/workflows/relax/wien2k/generator.py
index 5823686e..e7550255 100644
--- a/src/aiida_common_workflows/workflows/relax/wien2k/generator.py
+++ b/src/aiida_common_workflows/workflows/relax/wien2k/generator.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Implementation of `aiida_common_workflows.common.relax.generator.CommonRelaxInputGenerator` for Wien2k."""
 import os
 
diff --git a/src/aiida_common_workflows/workflows/relax/wien2k/workchain.py b/src/aiida_common_workflows/workflows/relax/wien2k/workchain.py
index f430a6a0..cbf53112 100644
--- a/src/aiida_common_workflows/workflows/relax/wien2k/workchain.py
+++ b/src/aiida_common_workflows/workflows/relax/wien2k/workchain.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Implementation of `aiida_common_workflows.common.relax.workchain.CommonRelaxWorkChain` for Wien2k."""
 from aiida import orm
 from aiida.engine import calcfunction
diff --git a/src/aiida_common_workflows/workflows/relax/workchain.py b/src/aiida_common_workflows/workflows/relax/workchain.py
index 204c78e8..ff189825 100644
--- a/src/aiida_common_workflows/workflows/relax/workchain.py
+++ b/src/aiida_common_workflows/workflows/relax/workchain.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Module with base wrapper workchain for common structure relaxation workchains."""
 from abc import ABCMeta, abstractmethod
 
diff --git a/tests/cli/test_launch.py b/tests/cli/test_launch.py
index b8958bd3..1eb34826 100644
--- a/tests/cli/test_launch.py
+++ b/tests/cli/test_launch.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Tests for the :mod:`aiida_common_workflows.cli.launch` module."""
 import re
 
diff --git a/tests/cli/test_options.py b/tests/cli/test_options.py
index 618886ec..1b224eba 100644
--- a/tests/cli/test_options.py
+++ b/tests/cli/test_options.py
@@ -1,5 +1,3 @@
-# -*- coding: utf-8 -*-
-
 """Tests for the :mod:`aiida_common_workflows.cli.launch` module."""
 import json
 import pathlib
diff --git a/tests/cli/test_plot.py b/tests/cli/test_plot.py
index cae2c6c2..89234e1c 100644
--- a/tests/cli/test_plot.py
+++ b/tests/cli/test_plot.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Tests for the :mod:`aiida_common_workflows.cli.plot` module."""
 from pathlib import Path
 
diff --git a/tests/cli/test_utils.py b/tests/cli/test_utils.py
index 35016aba..5370050e 100644
--- a/tests/cli/test_utils.py
+++ b/tests/cli/test_utils.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Tests for the :mod:`aiida_common_workflows.cli.utils` module."""
 import pytest
 from aiida_common_workflows.cli.utils import get_code_from_list_or_database
diff --git a/tests/conftest.py b/tests/conftest.py
index f7667183..3d89bb06 100644
--- a/tests/conftest.py
+++ b/tests/conftest.py
@@ -1,5 +1,3 @@
-# -*- coding: utf-8 -*-
-
 """Configuration and fixtures for unit test suite."""
 import io
 import os
diff --git a/tests/generators/test_generator.py b/tests/generators/test_generator.py
index a66a60a5..7c38a53a 100644
--- a/tests/generators/test_generator.py
+++ b/tests/generators/test_generator.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Tests for the :mod:`aiida_common_workflows.generators.generator` module."""
 import pytest
 from aiida import orm
diff --git a/tests/protocol/test_registry.py b/tests/protocol/test_registry.py
index 3f8b7566..a7088343 100644
--- a/tests/protocol/test_registry.py
+++ b/tests/protocol/test_registry.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Tests for the :mod:`aiida_common_workflows.protocol.registry` module."""
 import typing as t
 
diff --git a/tests/workflows/bands/test_implementations.py b/tests/workflows/bands/test_implementations.py
index 3a9c76cd..39b928ae 100644
--- a/tests/workflows/bands/test_implementations.py
+++ b/tests/workflows/bands/test_implementations.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Tests for the :mod:`aiida_common_workflows.workflows.relax.quantum_espresso` module."""
 
 import pytest
diff --git a/tests/workflows/bands/test_workchain.py b/tests/workflows/bands/test_workchain.py
index 216ffbbe..d1e2e2a5 100644
--- a/tests/workflows/bands/test_workchain.py
+++ b/tests/workflows/bands/test_workchain.py
@@ -1,5 +1,3 @@
-# -*- coding: utf-8 -*-
-
 """Tests for the :mod:`aiida_common_workflows.workflows.bands.workchain` module."""
 import pytest
 from aiida.plugins import WorkflowFactory
diff --git a/tests/workflows/dissociation_curve/test_workchain_diss_curve.py b/tests/workflows/dissociation_curve/test_workchain_diss_curve.py
index 8de15127..d14870b0 100644
--- a/tests/workflows/dissociation_curve/test_workchain_diss_curve.py
+++ b/tests/workflows/dissociation_curve/test_workchain_diss_curve.py
@@ -1,5 +1,3 @@
-# -*- coding: utf-8 -*-
-
 """Tests for the :mod:`aiida_common_workflows.workflows.dissociation` module."""
 import copy
 
diff --git a/tests/workflows/eos/test_workchain_eos.py b/tests/workflows/eos/test_workchain_eos.py
index 566afcc6..924cbb23 100644
--- a/tests/workflows/eos/test_workchain_eos.py
+++ b/tests/workflows/eos/test_workchain_eos.py
@@ -1,5 +1,3 @@
-# -*- coding: utf-8 -*-
-
 """Tests for the :mod:`aiida_common_workflows.workflows.eos` module."""
 import copy
 
diff --git a/tests/workflows/relax/test_abinit.py b/tests/workflows/relax/test_abinit.py
index 0458d7ad..f1fb154a 100644
--- a/tests/workflows/relax/test_abinit.py
+++ b/tests/workflows/relax/test_abinit.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Tests for the :mod:`aiida_common_workflows.workflows.relax.abinit` module."""
 
 import pytest
diff --git a/tests/workflows/relax/test_bigdft.py b/tests/workflows/relax/test_bigdft.py
index 504ca04f..de0f9b50 100644
--- a/tests/workflows/relax/test_bigdft.py
+++ b/tests/workflows/relax/test_bigdft.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Tests for the :mod:`aiida_common_workflows.workflows.relax.bigdft` module."""
 
 import pytest
diff --git a/tests/workflows/relax/test_castep.py b/tests/workflows/relax/test_castep.py
index a3783dd4..bf0f1c39 100644
--- a/tests/workflows/relax/test_castep.py
+++ b/tests/workflows/relax/test_castep.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Tests for the :mod:`aiida_common_workflows.workflows.relax.castep` module."""
 
 import copy
diff --git a/tests/workflows/relax/test_cp2k.py b/tests/workflows/relax/test_cp2k.py
index cd818f4c..40de2478 100644
--- a/tests/workflows/relax/test_cp2k.py
+++ b/tests/workflows/relax/test_cp2k.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Tests for the :mod:`aiida_common_workflows.workflows.relax.cp2k` module."""
 
 import pytest
diff --git a/tests/workflows/relax/test_fleur.py b/tests/workflows/relax/test_fleur.py
index 1345bcec..cd72d625 100644
--- a/tests/workflows/relax/test_fleur.py
+++ b/tests/workflows/relax/test_fleur.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Tests for the :mod:`aiida_common_workflows.workflows.relax.fleur` module."""
 
 import pytest
diff --git a/tests/workflows/relax/test_gaussian.py b/tests/workflows/relax/test_gaussian.py
index 7cd61881..67ced3a0 100644
--- a/tests/workflows/relax/test_gaussian.py
+++ b/tests/workflows/relax/test_gaussian.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Tests for the :mod:`aiida_common_workflows.workflows.relax.gaussian` module."""
 
 import pytest
diff --git a/tests/workflows/relax/test_implementations.py b/tests/workflows/relax/test_implementations.py
index 7a4b7bd8..7cd97c29 100644
--- a/tests/workflows/relax/test_implementations.py
+++ b/tests/workflows/relax/test_implementations.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Tests for the :mod:`aiida_common_workflows.workflows.relax.quantum_espresso` module."""
 
 import pytest
diff --git a/tests/workflows/relax/test_nwchem.py b/tests/workflows/relax/test_nwchem.py
index 55683dcd..710c8a36 100644
--- a/tests/workflows/relax/test_nwchem.py
+++ b/tests/workflows/relax/test_nwchem.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Tests for the :mod:`aiida_common_workflows.workflows.relax.nwchem` module."""
 
 import pytest
diff --git a/tests/workflows/relax/test_orca.py b/tests/workflows/relax/test_orca.py
index 126f4c9d..18167b7f 100644
--- a/tests/workflows/relax/test_orca.py
+++ b/tests/workflows/relax/test_orca.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Tests for the :mod:`aiida_common_workflows.workflows.relax.orca` module."""
 
 import pytest
diff --git a/tests/workflows/relax/test_quantum_espresso.py b/tests/workflows/relax/test_quantum_espresso.py
index 5112cf96..d9a95e6f 100644
--- a/tests/workflows/relax/test_quantum_espresso.py
+++ b/tests/workflows/relax/test_quantum_espresso.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Tests for the :mod:`aiida_common_workflows.workflows.relax.quantum_espresso` module."""
 
 import pytest
diff --git a/tests/workflows/relax/test_siesta.py b/tests/workflows/relax/test_siesta.py
index 4693ce03..9959c4f7 100644
--- a/tests/workflows/relax/test_siesta.py
+++ b/tests/workflows/relax/test_siesta.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Tests for the :mod:`aiida_common_workflows.workflows.relax.siesta` module."""
 
 import pytest
diff --git a/tests/workflows/relax/test_vasp.py b/tests/workflows/relax/test_vasp.py
index 86734b23..59ca8799 100644
--- a/tests/workflows/relax/test_vasp.py
+++ b/tests/workflows/relax/test_vasp.py
@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Tests for the :mod:`aiida_common_workflows.workflows.relax.vasp` module."""
 
 import pytest
diff --git a/tests/workflows/relax/test_workchain.py b/tests/workflows/relax/test_workchain.py
index 10097147..5f1e99d8 100644
--- a/tests/workflows/relax/test_workchain.py
+++ b/tests/workflows/relax/test_workchain.py
@@ -1,5 +1,3 @@
-# -*- coding: utf-8 -*-
-
 """Tests for the :mod:`aiida_common_workflows.workflows.relax.workchain` module."""
 import pytest
 from aiida.plugins import WorkflowFactory