diff --git a/src/aiida_wannier90_workflows/calculations/split.py b/src/aiida_wannier90_workflows/calculations/split.py index 0558059..56debae 100644 --- a/src/aiida_wannier90_workflows/calculations/split.py +++ b/src/aiida_wannier90_workflows/calculations/split.py @@ -1,4 +1,5 @@ """Calculations for gw2wannier90.py.""" + from aiida import orm from aiida.common import datastructures from aiida.engine import CalcJob diff --git a/src/aiida_wannier90_workflows/cli/group.py b/src/aiida_wannier90_workflows/cli/group.py index 59296dc..3d688cd 100644 --- a/src/aiida_wannier90_workflows/cli/group.py +++ b/src/aiida_wannier90_workflows/cli/group.py @@ -1,4 +1,5 @@ """Commands to manipulate groups of `Wannier90BandsWorkChain`.""" + import click from aiida import orm diff --git a/src/aiida_wannier90_workflows/cli/list.py b/src/aiida_wannier90_workflows/cli/list.py index 89f55c7..38f0b72 100644 --- a/src/aiida_wannier90_workflows/cli/list.py +++ b/src/aiida_wannier90_workflows/cli/list.py @@ -1,4 +1,5 @@ """Commands to list instances of `Wannier90BandsWorkChain`.""" + import click from aiida import orm diff --git a/src/aiida_wannier90_workflows/cli/node.py b/src/aiida_wannier90_workflows/cli/node.py index 2ce5111..c1649dc 100644 --- a/src/aiida_wannier90_workflows/cli/node.py +++ b/src/aiida_wannier90_workflows/cli/node.py @@ -1,4 +1,5 @@ """Command line interface `aiida-wannier90-workflows`.""" + import click from aiida import orm diff --git a/src/aiida_wannier90_workflows/cli/params.py b/src/aiida_wannier90_workflows/cli/params.py index c275bb0..8f3e152 100644 --- a/src/aiida_wannier90_workflows/cli/params.py +++ b/src/aiida_wannier90_workflows/cli/params.py @@ -1,4 +1,5 @@ """Module for the workflow parameter type.""" + import typing as ty import click diff --git a/src/aiida_wannier90_workflows/cli/root.py b/src/aiida_wannier90_workflows/cli/root.py index 81f41b4..c198831 100644 --- a/src/aiida_wannier90_workflows/cli/root.py +++ b/src/aiida_wannier90_workflows/cli/root.py @@ -1,4 +1,5 @@ """Command line interface `aiida-wannier90-workflows`.""" + import click from aiida.cmdline.groups import VerdiCommandGroup diff --git a/src/aiida_wannier90_workflows/cli/statistics.py b/src/aiida_wannier90_workflows/cli/statistics.py index 4f3cf25..9fd210a 100644 --- a/src/aiida_wannier90_workflows/cli/statistics.py +++ b/src/aiida_wannier90_workflows/cli/statistics.py @@ -1,4 +1,5 @@ """Commands to manipulate groups of `Wannier90BandsWorkChain`.""" + import click from aiida.cmdline.params import types diff --git a/src/aiida_wannier90_workflows/common/types.py b/src/aiida_wannier90_workflows/common/types.py index 2b6557f..2f2263e 100644 --- a/src/aiida_wannier90_workflows/common/types.py +++ b/src/aiida_wannier90_workflows/common/types.py @@ -1,4 +1,5 @@ """Module with common data types.""" + import enum diff --git a/src/aiida_wannier90_workflows/parsers/split.py b/src/aiida_wannier90_workflows/parsers/split.py index bff482e..ffe739c 100644 --- a/src/aiida_wannier90_workflows/parsers/split.py +++ b/src/aiida_wannier90_workflows/parsers/split.py @@ -2,6 +2,7 @@ Register parsers via the "aiida.parsers" entry point in setup.json. """ + import typing as ty from aiida import orm diff --git a/src/aiida_wannier90_workflows/utils/bands/__init__.py b/src/aiida_wannier90_workflows/utils/bands/__init__.py index e465b33..0efbac1 100644 --- a/src/aiida_wannier90_workflows/utils/bands/__init__.py +++ b/src/aiida_wannier90_workflows/utils/bands/__init__.py @@ -1,4 +1,5 @@ """Utility functions for band structure.""" + import typing as ty import numpy as np diff --git a/src/aiida_wannier90_workflows/utils/code.py b/src/aiida_wannier90_workflows/utils/code.py index a15b685..9fb5563 100644 --- a/src/aiida_wannier90_workflows/utils/code.py +++ b/src/aiida_wannier90_workflows/utils/code.py @@ -1,4 +1,5 @@ """Functions for codes.""" + import typing as ty from aiida import orm diff --git a/src/aiida_wannier90_workflows/utils/kpoints.py b/src/aiida_wannier90_workflows/utils/kpoints.py index f1cb4e8..c8b34e7 100644 --- a/src/aiida_wannier90_workflows/utils/kpoints.py +++ b/src/aiida_wannier90_workflows/utils/kpoints.py @@ -1,4 +1,5 @@ """Functions for processing kpoints.""" + import typing as ty import numpy as np diff --git a/src/aiida_wannier90_workflows/utils/parser/center.py b/src/aiida_wannier90_workflows/utils/parser/center.py index 2568e21..03ab7d1 100644 --- a/src/aiida_wannier90_workflows/utils/parser/center.py +++ b/src/aiida_wannier90_workflows/utils/parser/center.py @@ -159,9 +159,9 @@ def find_wf_nearest_atom( # 0th: atom index supercell_translation_with_atoms[idx_start:idx_stop, 0] = iatom # 1-3th: supercell translation - supercell_translation_with_atoms[ - idx_start:idx_stop, 1: - ] = supercell_translations + supercell_translation_with_atoms[idx_start:idx_stop, 1:] = ( + supercell_translations + ) # KD tree for to find nearest neighbours kdtree = cKDTree(supercell_with_atoms) diff --git a/src/aiida_wannier90_workflows/utils/pseudo/__init__.py b/src/aiida_wannier90_workflows/utils/pseudo/__init__.py index e3b381c..2e51e80 100644 --- a/src/aiida_wannier90_workflows/utils/pseudo/__init__.py +++ b/src/aiida_wannier90_workflows/utils/pseudo/__init__.py @@ -1,4 +1,5 @@ """Utility functions for pseudo potential family.""" + import typing as ty from aiida import orm diff --git a/src/aiida_wannier90_workflows/utils/pseudo/data/__init__.py b/src/aiida_wannier90_workflows/utils/pseudo/data/__init__.py index cd18ba2..7404f14 100644 --- a/src/aiida_wannier90_workflows/utils/pseudo/data/__init__.py +++ b/src/aiida_wannier90_workflows/utils/pseudo/data/__init__.py @@ -1,4 +1,5 @@ """Utility functions for pseudo potential metadata.""" + import json import os import typing as ty diff --git a/src/aiida_wannier90_workflows/utils/pseudo/upf.py b/src/aiida_wannier90_workflows/utils/pseudo/upf.py index 7a92a60..9d1c85e 100644 --- a/src/aiida_wannier90_workflows/utils/pseudo/upf.py +++ b/src/aiida_wannier90_workflows/utils/pseudo/upf.py @@ -1,4 +1,5 @@ """Utility functions for parsing pseudo potential file.""" + import xml.etree.ElementTree as ET from aiida import orm diff --git a/src/aiida_wannier90_workflows/utils/scdm.py b/src/aiida_wannier90_workflows/utils/scdm.py index 9f9f76d..edd7f6b 100644 --- a/src/aiida_wannier90_workflows/utils/scdm.py +++ b/src/aiida_wannier90_workflows/utils/scdm.py @@ -1,4 +1,5 @@ """Functions for SCDM fitting.""" + import typing as ty import numpy as np diff --git a/src/aiida_wannier90_workflows/utils/structure.py b/src/aiida_wannier90_workflows/utils/structure.py index b9521d0..1c9c7b9 100644 --- a/src/aiida_wannier90_workflows/utils/structure.py +++ b/src/aiida_wannier90_workflows/utils/structure.py @@ -1,4 +1,5 @@ """Functions for structures.""" + import pathlib import typing as ty diff --git a/src/aiida_wannier90_workflows/utils/workflows/__init__.py b/src/aiida_wannier90_workflows/utils/workflows/__init__.py index 73f653d..0a6886c 100644 --- a/src/aiida_wannier90_workflows/utils/workflows/__init__.py +++ b/src/aiida_wannier90_workflows/utils/workflows/__init__.py @@ -1,4 +1,5 @@ """Utility functions for manipulating nodes.""" + from aiida import orm diff --git a/src/aiida_wannier90_workflows/utils/workflows/builder/projections.py b/src/aiida_wannier90_workflows/utils/workflows/builder/projections.py index 60d8d1f..71ba081 100644 --- a/src/aiida_wannier90_workflows/utils/workflows/builder/projections.py +++ b/src/aiida_wannier90_workflows/utils/workflows/builder/projections.py @@ -1,4 +1,5 @@ """Functions to guess Wannier90 projections.""" + import typing as ty from aiida_quantumespresso.common.types import ElectronicType diff --git a/src/aiida_wannier90_workflows/utils/workflows/builder/serializer.py b/src/aiida_wannier90_workflows/utils/workflows/builder/serializer.py index da19de0..2ce1c4e 100644 --- a/src/aiida_wannier90_workflows/utils/workflows/builder/serializer.py +++ b/src/aiida_wannier90_workflows/utils/workflows/builder/serializer.py @@ -1,4 +1,5 @@ """Functions for serialize builder.""" + import typing as ty import numpy as np diff --git a/src/aiida_wannier90_workflows/utils/workflows/builder/setter.py b/src/aiida_wannier90_workflows/utils/workflows/builder/setter.py index 9b6de54..50c5e24 100644 --- a/src/aiida_wannier90_workflows/utils/workflows/builder/setter.py +++ b/src/aiida_wannier90_workflows/utils/workflows/builder/setter.py @@ -1,4 +1,5 @@ """Functions for changing builder.""" + import typing as ty from aiida import orm diff --git a/src/aiida_wannier90_workflows/utils/workflows/group.py b/src/aiida_wannier90_workflows/utils/workflows/group.py index c895b78..4b2b084 100644 --- a/src/aiida_wannier90_workflows/utils/workflows/group.py +++ b/src/aiida_wannier90_workflows/utils/workflows/group.py @@ -1,4 +1,5 @@ """Functions for group of workchains.""" + import typing as ty from aiida import orm diff --git a/src/aiida_wannier90_workflows/utils/workflows/plot/distance.py b/src/aiida_wannier90_workflows/utils/workflows/plot/distance.py index 0e2b283..a7ca1de 100644 --- a/src/aiida_wannier90_workflows/utils/workflows/plot/distance.py +++ b/src/aiida_wannier90_workflows/utils/workflows/plot/distance.py @@ -1,4 +1,5 @@ """Functions for analyzing the band distances of WorkChain results.""" + import typing as ty import numpy as np diff --git a/src/aiida_wannier90_workflows/utils/workflows/pw.py b/src/aiida_wannier90_workflows/utils/workflows/pw.py index 7daa848..f4b3635 100644 --- a/src/aiida_wannier90_workflows/utils/workflows/pw.py +++ b/src/aiida_wannier90_workflows/utils/workflows/pw.py @@ -1,4 +1,5 @@ """Utility functions for processing pw.x related workchains.""" + import typing as ty from aiida import orm diff --git a/src/aiida_wannier90_workflows/workflows/bands.py b/src/aiida_wannier90_workflows/workflows/bands.py index d72197c..b23e972 100644 --- a/src/aiida_wannier90_workflows/workflows/bands.py +++ b/src/aiida_wannier90_workflows/workflows/bands.py @@ -1,4 +1,5 @@ """WorkChain to automatically calculate Wannier band structure.""" + import pathlib import typing as ty diff --git a/src/aiida_wannier90_workflows/workflows/base/open_grid.py b/src/aiida_wannier90_workflows/workflows/base/open_grid.py index 9adcb65..16b4c31 100644 --- a/src/aiida_wannier90_workflows/workflows/base/open_grid.py +++ b/src/aiida_wannier90_workflows/workflows/base/open_grid.py @@ -1,4 +1,5 @@ """Wrapper workchain for OpenGridCalculation to automatically handle several errors.""" + import pathlib import typing as ty diff --git a/src/aiida_wannier90_workflows/workflows/base/projwfc.py b/src/aiida_wannier90_workflows/workflows/base/projwfc.py index e5abe2a..206331e 100644 --- a/src/aiida_wannier90_workflows/workflows/base/projwfc.py +++ b/src/aiida_wannier90_workflows/workflows/base/projwfc.py @@ -1,4 +1,5 @@ """Wrapper workchain for ProjwfcCalculation to automatically handle several errors.""" + import pathlib import typing as ty diff --git a/src/aiida_wannier90_workflows/workflows/base/pw2wannier90.py b/src/aiida_wannier90_workflows/workflows/base/pw2wannier90.py index d802b45..0c08b0d 100644 --- a/src/aiida_wannier90_workflows/workflows/base/pw2wannier90.py +++ b/src/aiida_wannier90_workflows/workflows/base/pw2wannier90.py @@ -1,4 +1,5 @@ """Wrapper workchain for Pw2wannier90Calculation to automatically handle several errors.""" + import pathlib import typing as ty diff --git a/src/aiida_wannier90_workflows/workflows/base/qebaserestart.py b/src/aiida_wannier90_workflows/workflows/base/qebaserestart.py index 8e42939..4fe5faf 100644 --- a/src/aiida_wannier90_workflows/workflows/base/qebaserestart.py +++ b/src/aiida_wannier90_workflows/workflows/base/qebaserestart.py @@ -1,4 +1,5 @@ """Wrapper workchain for BaseRestartWorkChain to automatically handle several QE errors.""" + import re from aiida import orm @@ -171,9 +172,9 @@ def handle_output_stdout_incomplete(self, calculation): # This should not happen, in this case the cmdline is wrong continue try: - cmdline[ - idx + 1 - ] = f"{int(cmdline[idx + 1]) // self._mpi_proc_reduce_factor}" + cmdline[idx + 1] = ( + f"{int(cmdline[idx + 1]) // self._mpi_proc_reduce_factor}" + ) except ValueError: continue settings["cmdline"] = cmdline diff --git a/src/aiida_wannier90_workflows/workflows/base/wannier90.py b/src/aiida_wannier90_workflows/workflows/base/wannier90.py index 67a5f67..31e4059 100644 --- a/src/aiida_wannier90_workflows/workflows/base/wannier90.py +++ b/src/aiida_wannier90_workflows/workflows/base/wannier90.py @@ -1,4 +1,5 @@ """Wrapper workchain for `Wannier90Calculation` to automatically handle several errors.""" + import pathlib import typing as ty diff --git a/src/aiida_wannier90_workflows/workflows/open_grid.py b/src/aiida_wannier90_workflows/workflows/open_grid.py index d0711e8..e544602 100644 --- a/src/aiida_wannier90_workflows/workflows/open_grid.py +++ b/src/aiida_wannier90_workflows/workflows/open_grid.py @@ -1,4 +1,5 @@ """Wannierisation workflow using open_grid.x to bypass the nscf step.""" + # pylint: disable=protected-access import pathlib import typing as ty diff --git a/src/aiida_wannier90_workflows/workflows/optimize.py b/src/aiida_wannier90_workflows/workflows/optimize.py index 298117c..92313d5 100644 --- a/src/aiida_wannier90_workflows/workflows/optimize.py +++ b/src/aiida_wannier90_workflows/workflows/optimize.py @@ -1,4 +1,5 @@ """Workchain to automatically optimize dis_proj_min/max for projectability disentanglement.""" + import pathlib import typing as ty import warnings diff --git a/src/aiida_wannier90_workflows/workflows/projwfcbands.py b/src/aiida_wannier90_workflows/workflows/projwfcbands.py index 6d0d5ac..3117321 100644 --- a/src/aiida_wannier90_workflows/workflows/projwfcbands.py +++ b/src/aiida_wannier90_workflows/workflows/projwfcbands.py @@ -1,4 +1,5 @@ """WorkChain to automatically calculate QE projected band structure.""" + import pathlib import typing as ty diff --git a/src/aiida_wannier90_workflows/workflows/split.py b/src/aiida_wannier90_workflows/workflows/split.py index 28bfafa..b9fcb5f 100644 --- a/src/aiida_wannier90_workflows/workflows/split.py +++ b/src/aiida_wannier90_workflows/workflows/split.py @@ -1,4 +1,5 @@ """Workchain to automatically optimize dis_proj_min/max for projectability disentanglement.""" + import copy import pathlib import typing as ty @@ -492,9 +493,9 @@ def prepare_val_inputs(self): inputs["structure"] = self.ctx["current_structure"] if self.should_run_split(): - inputs[ - "remote_input_folder" - ] = self.ctx.workchain_split.outputs.remote_folder_val + inputs["remote_input_folder"] = ( + self.ctx.workchain_split.outputs.remote_folder_val + ) if self.should_run_valcond(): parameters = inputs["parameters"].get_dict() @@ -573,9 +574,9 @@ def prepare_cond_inputs(self): inputs["structure"] = self.ctx["current_structure"] if self.should_run_split(): - inputs[ - "remote_input_folder" - ] = self.ctx.workchain_split.outputs.remote_folder_cond + inputs["remote_input_folder"] = ( + self.ctx.workchain_split.outputs.remote_folder_cond + ) if self.should_run_valcond(): parameters = inputs["parameters"].get_dict() diff --git a/src/aiida_wannier90_workflows/workflows/wannier90.py b/src/aiida_wannier90_workflows/workflows/wannier90.py index fd77f72..30c1a2c 100644 --- a/src/aiida_wannier90_workflows/workflows/wannier90.py +++ b/src/aiida_wannier90_workflows/workflows/wannier90.py @@ -1,4 +1,5 @@ """Base class for Wannierisation workflow.""" + # pylint: disable=protected-access import pathlib import typing as ty @@ -786,9 +787,9 @@ def prepare_pw2wannier90_inputs(self): if "workchain_projwfc" not in self.ctx: raise ValueError("Needs to run projwfc for SCDM projection") base_inputs["bands"] = self.ctx.workchain_projwfc.outputs.bands - base_inputs[ - "bands_projections" - ] = self.ctx.workchain_projwfc.outputs.projections + base_inputs["bands_projections"] = ( + self.ctx.workchain_projwfc.outputs.projections + ) inputs["parent_folder"] = self.ctx.current_folder inputs["nnkp_file"] = self.ctx.workchain_wannier90_pp.outputs.nnkp_file diff --git a/tests/cli/test_commands.py b/tests/cli/test_commands.py index 7eca592..09bff30 100644 --- a/tests/cli/test_commands.py +++ b/tests/cli/test_commands.py @@ -1,4 +1,5 @@ """Tests for CLI commands.""" + from click import Context, Group from aiida_wannier90_workflows.cli import cmd_root diff --git a/tests/utils/conftest.py b/tests/utils/conftest.py index f1949ce..29fbc61 100644 --- a/tests/utils/conftest.py +++ b/tests/utils/conftest.py @@ -1,4 +1,5 @@ """Fixtures for testing bands.""" + import pytest # pylint: disable=redefined-outer-name,too-many-statements diff --git a/tests/utils/test_bands.py b/tests/utils/test_bands.py index 561921f..a9fb256 100644 --- a/tests/utils/test_bands.py +++ b/tests/utils/test_bands.py @@ -1,4 +1,5 @@ """Unit tests for the :py:mod:`~aiida_quantumespresso.utils.bands` module.""" + import numpy as np diff --git a/tests/utils/test_kpoints.py b/tests/utils/test_kpoints.py index 02ee03a..29ba7fd 100644 --- a/tests/utils/test_kpoints.py +++ b/tests/utils/test_kpoints.py @@ -1,4 +1,5 @@ """Unit tests for the :py:mod:`~aiida_quantumespresso.utils.kpoints` module.""" + import numpy as np from aiida import orm diff --git a/tests/utils/workflows/test_builder.py b/tests/utils/workflows/test_builder.py index a6c65f8..50e9ead 100644 --- a/tests/utils/workflows/test_builder.py +++ b/tests/utils/workflows/test_builder.py @@ -1,4 +1,5 @@ """Unit tests for the :py:mod:`~aiida_quantumespresso.utils.workflows.builder` module.""" + import numpy as np import pytest diff --git a/tests/workflows/__init__.py b/tests/workflows/__init__.py index d892ac2..7d5d833 100644 --- a/tests/workflows/__init__.py +++ b/tests/workflows/__init__.py @@ -1,4 +1,5 @@ """Tests for the `Wannier90WorkChain` class.""" + from aiida.engine.utils import instantiate_process from aiida.manage.manager import get_manager diff --git a/tests/workflows/base/test_open_grid.py b/tests/workflows/base/test_open_grid.py index b01f941..c815991 100644 --- a/tests/workflows/base/test_open_grid.py +++ b/tests/workflows/base/test_open_grid.py @@ -1,4 +1,5 @@ """Tests for the `OpenGridBaseWorkChain` class.""" + import pytest from aiida.common import AttributeDict diff --git a/tests/workflows/base/test_projwfc.py b/tests/workflows/base/test_projwfc.py index db3d3b1..9cac0f7 100644 --- a/tests/workflows/base/test_projwfc.py +++ b/tests/workflows/base/test_projwfc.py @@ -1,4 +1,5 @@ """Tests for the `ProjwfcBaseWorkChain` class.""" + import pytest from aiida.common import AttributeDict diff --git a/tests/workflows/base/test_pw2wannier90.py b/tests/workflows/base/test_pw2wannier90.py index cf8c176..4c78bed 100644 --- a/tests/workflows/base/test_pw2wannier90.py +++ b/tests/workflows/base/test_pw2wannier90.py @@ -1,4 +1,5 @@ """Tests for the `Pw2wannier90BaseWorkChain` class.""" + import pytest from aiida.common import AttributeDict diff --git a/tests/workflows/base/test_wannier90.py b/tests/workflows/base/test_wannier90.py index a4b5cdb..fcac028 100644 --- a/tests/workflows/base/test_wannier90.py +++ b/tests/workflows/base/test_wannier90.py @@ -1,4 +1,5 @@ """Tests for the `Wannier90BaseWorkChain` class.""" + import pytest from aiida.common import AttributeDict diff --git a/tests/workflows/conftest.py b/tests/workflows/conftest.py index 943f408..81ff8cc 100644 --- a/tests/workflows/conftest.py +++ b/tests/workflows/conftest.py @@ -1,4 +1,5 @@ """Fixtures for testing workflows.""" + from pathlib import Path from plumpy import ProcessState diff --git a/tests/workflows/protocols/base/test_open_grid.py b/tests/workflows/protocols/base/test_open_grid.py index c831a2f..0b7d9a8 100644 --- a/tests/workflows/protocols/base/test_open_grid.py +++ b/tests/workflows/protocols/base/test_open_grid.py @@ -1,4 +1,5 @@ """Tests for the ``OpenGridBaseWorkChain.get_builder_from_protocol`` method.""" + from aiida.engine import ProcessBuilder from aiida_wannier90_workflows.workflows.base.open_grid import OpenGridBaseWorkChain diff --git a/tests/workflows/protocols/base/test_projwfc.py b/tests/workflows/protocols/base/test_projwfc.py index 25d94a7..06b8b46 100644 --- a/tests/workflows/protocols/base/test_projwfc.py +++ b/tests/workflows/protocols/base/test_projwfc.py @@ -1,4 +1,5 @@ """Tests for the ``ProjwfcBaseWorkChain.get_builder_from_protocol`` method.""" + from aiida.engine import ProcessBuilder from aiida_wannier90_workflows.workflows.base.projwfc import ProjwfcBaseWorkChain diff --git a/tests/workflows/protocols/base/test_pw2wannier90.py b/tests/workflows/protocols/base/test_pw2wannier90.py index 19a75b3..c86f481 100644 --- a/tests/workflows/protocols/base/test_pw2wannier90.py +++ b/tests/workflows/protocols/base/test_pw2wannier90.py @@ -1,4 +1,5 @@ """Tests for the ``Pw2wannier90BaseWorkChain.get_builder_from_protocol`` method.""" + import pytest from aiida.engine import ProcessBuilder diff --git a/tests/workflows/protocols/base/test_wannier90.py b/tests/workflows/protocols/base/test_wannier90.py index d40d2fa..5b19bbe 100644 --- a/tests/workflows/protocols/base/test_wannier90.py +++ b/tests/workflows/protocols/base/test_wannier90.py @@ -1,4 +1,5 @@ """Tests for the ``Wannier90BaseWorkChain.get_builder_from_protocol`` method.""" + import pytest from aiida.engine import ProcessBuilder diff --git a/tests/workflows/protocols/test_protocols.py b/tests/workflows/protocols/test_protocols.py index 9b0f6b8..b42aeab 100644 --- a/tests/workflows/protocols/test_protocols.py +++ b/tests/workflows/protocols/test_protocols.py @@ -1,4 +1,5 @@ """General tests for the protocol methods.""" + import pytest from aiida_wannier90_workflows.workflows.bands import Wannier90BandsWorkChain diff --git a/tests/workflows/test_wannier90.py b/tests/workflows/test_wannier90.py index fba78ef..bc1a556 100644 --- a/tests/workflows/test_wannier90.py +++ b/tests/workflows/test_wannier90.py @@ -1,4 +1,5 @@ """Tests for the `Wannier90WorkChain` class.""" + import io from plumpy.process_states import ProcessState