🔧 Preparation for aiida 2.9.0 release

.github/workflows/ci.yml

@@ -9,7 +9,7 @@ jobs:
     timeout-minutes: 30
     strategy:
       matrix:
-        python-version: ["3.10"]
+        python-version: ["3.10", "3.14"]
 
     steps:
     - uses: actions/checkout@v3

.github/workflows/update_changelog.py

@@ -1,10 +1,9 @@
 #!/bin/bash
-# -*- coding: utf-8 -*-
 """Script for automatically updating the `CHANGELOG.md` based on the commits since the latest release tag."""
 
-from pathlib import Path
 import re
 import subprocess
+from pathlib import Path
 
 DEFAULT_CHANGELOG_SECTIONS = """
 ### ‼️ Breaking changes

.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

.pre-commit-config.yaml

@@ -1,17 +1,20 @@
 # Install pre-commit hooks via:
 # pre-commit install
+default_language_version:
+    python: python3.11
+
 repos:
     - repo: https://github.com/pre-commit/pre-commit-hooks
-      rev: v4.6.0
+      rev: v5.0.0
       hooks:
         - id: end-of-file-fixer
-        - id: fix-encoding-pragma
         - id: mixed-line-ending
         - id: trailing-whitespace
         - id: check-json
 
     - repo: https://github.com/astral-sh/ruff-pre-commit
-      rev: v0.6.5
+      rev: v0.8.6
       hooks:
       - id: ruff-format
       - id: ruff
+        args: [--fix]

aiida_hyperqueue/__init__.py

@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """
 aiida_hyperqueue
 

aiida_hyperqueue/cli/__init__.py

@@ -1,5 +1,4 @@
-# -*- coding: utf-8 -*-
-from .root import cmd_root  # noqa: F401
+from .alloc import cmd_add, cmd_list, cmd_remove  # noqa: F401
 from .install import cmd_install  # noqa: F401
+from .root import cmd_root  # noqa: F401
 from .server import cmd_info, cmd_start, cmd_stop  # noqa: F401
-from .alloc import cmd_list, cmd_add, cmd_remove  # noqa: F401

aiida_hyperqueue/cli/alloc.py

@@ -1,7 +1,6 @@
-# -*- coding: utf-8 -*-
 import click
 
-from aiida.cmdline.params import options, arguments
+from aiida.cmdline.params import arguments, options
 from aiida.cmdline.utils import echo
 
 from .root import cmd_root

aiida_hyperqueue/cli/install.py

@@ -1,10 +1,10 @@
-# -*- coding: utf-8 -*-
-import click
-import tempfile
-import requests
 import tarfile
+import tempfile
 from pathlib import Path
 
+import click
+import requests
+
 from aiida import orm
 from aiida.cmdline.utils import echo
 
@@ -81,7 +81,7 @@ def cmd_install(
         with computer.get_transport() as transport:
             # Get the abs path of remote bin dir
             retval, stdout, stderr = transport.exec_command_wait(
-                f"echo {str(remote_bin_dir)}"
+                f"echo {remote_bin_dir!s}"
             )
             if retval != 0:
                 echo.echo_critical(
@@ -102,7 +102,7 @@ def cmd_install(
             )
 
             # XXX: should transport.put take care of this already??
-            transport.exec_command_wait(f"chmod +x {str(remote_bin_dir / 'hq')}")
+            transport.exec_command_wait(f"chmod +x {remote_bin_dir / 'hq'!s}")
 
             # write to bashrc
             if write_bashrc:

aiida_hyperqueue/cli/params/arguments.py

@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 from aiida.cmdline.params import arguments as core_arguments
 
 COMPUTER = core_arguments.COMPUTER

aiida_hyperqueue/cli/params/options.py

@@ -1,9 +1,9 @@
-# -*- coding: utf-8 -*-
 """Reusable options for CLI commands."""
 
 import functools
 
 import click
+
 from aiida.cmdline.params import options as core_options
 from aiida.cmdline.params import types as core_types
 

aiida_hyperqueue/cli/root.py

@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Command line interface `aiida-hq` for aiida-hyperqueue.
 The CLI implementation prototype from `aiida-pseudo`.
 """

aiida_hyperqueue/cli/server.py

@@ -1,10 +1,9 @@
-# -*- coding: utf-8 -*-
 import click
 
 from aiida.cmdline.utils import echo
 
-from .root import cmd_root
 from .params import arguments
+from .root import cmd_root
 
 
 @cmd_root.group("server")

aiida_hyperqueue/scheduler.py

@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 ###########################################################################
 # Copyright (c), The AiiDA team. All rights reserved.                     #
 # This file is part of the AiiDA code.                                    #
@@ -14,8 +13,8 @@
 import warnings
 
 from aiida.common.extendeddicts import AttributeDict
-from aiida.schedulers import Scheduler, SchedulerError, BashCliScheduler
-from aiida.schedulers.datastructures import JobInfo, JobState, JobResource, JobTemplate
+from aiida.schedulers import BashCliScheduler, Scheduler, SchedulerError
+from aiida.schedulers.datastructures import JobInfo, JobResource, JobState, JobTemplate
 
 # Mapping of HyperQueue states to AiiDA `JobState`s
 _MAP_STATUS_HYPERQUEUE = {

docs/source/conf.py

@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 #
 # Sphinx configuration for aiida-hyperqueue
 #
@@ -14,10 +13,10 @@
 import time
 
 import aiida_hyperqueue
+
 from aiida import load_profile
 from aiida.storage.sqlite_temp import SqliteTempBackend
 
-
 # -- AiiDA-related setup --------------------------------------------------
 temp_profile = SqliteTempBackend.create_profile("temp-profile")
 load_profile(temp_profile, allow_switch=True)
@@ -69,7 +68,7 @@
 copyright_year_string = (
     current_year
     if current_year == copyright_first_year
-    else "{}-{}".format(copyright_first_year, current_year)
+    else f"{copyright_first_year}-{current_year}"
 )
 # pylint: disable=redefined-builtin
 copyright = "{}, {}. All rights reserved".format(

pyproject.toml

@@ -21,7 +21,7 @@ classifiers = [
     "Natural Language :: English",
     "Programming Language :: Python",
 ]
-requires-python = ">=3.9"
+requires-python = ">=3.10"
 
 dependencies = [
     "aiida-core~=2.7",

tests/__init__.py

@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """Tests for the plugin.
 
 Includes both tests written in unittest style (test_cli.py) and tests written

tests/conftest.py

@@ -1,13 +1,12 @@
-# -*- coding: utf-8 -*-
 import contextlib
 import json
 import os
 import signal
 import subprocess
 import time
 from dataclasses import dataclass
-from typing import Iterable, List, Optional, Tuple
 from pathlib import Path
+from collections.abc import Iterable
 
 import pytest
 
@@ -32,7 +31,7 @@ def pytest_sessionstart(session):
     hq_version = os.environ.get("HQ_VERSION", "v0.19.0")
     install_command = f"wget -qO- https://github.com/It4innovations/hyperqueue/releases/download/{hq_version}/hq-{hq_version}-linux-x64.tar.gz | tar xvz -C {BIN_DIR.resolve()}"
     print(install_command)
-    result = subprocess.run(install_command, shell=True)
+    result = subprocess.run(install_command, shell=True, check=False)
     if result.returncode != 0:
         raise Exception(f"Installation failed with return code {result.returncode}")
 
@@ -120,7 +119,7 @@ def kill_all(self):
                     if p.final_check:
                         raise e
 
-    def get_processes_by_name(self, name: str) -> Iterable[Tuple[int, ManagedProcess]]:
+    def get_processes_by_name(self, name: str) -> Iterable[tuple[int, ManagedProcess]]:
         for i, p in enumerate(self.processes):
             if p.name == name:
                 yield i, p
@@ -132,8 +131,7 @@ def kill_process(self, name: str, signal: int = signal.SIGTERM) -> subprocess.Po
             if p.process.returncode is None and not p.process.poll():
                 os.killpg(os.getpgid(p.process.pid), signal)
             return p.process
-        else:
-            raise Exception("Process not found")
+        raise Exception("Process not found")
 
     def sort_processes_for_kill(self):
         pass
@@ -192,7 +190,7 @@ def start_server(
         self.check_running_processes()
         return process
 
-    def start_workers(self, count, **kwargs) -> List[subprocess.Popen]:
+    def start_workers(self, count, **kwargs) -> list[subprocess.Popen]:
         workers = []
         for _ in range(count):
             workers.append(self.start_worker(**kwargs))
@@ -208,7 +206,7 @@ def start_worker(
         wait_for_start=True,
         on_server_lost="stop",
         server_dir=None,
-        work_dir: Optional[str] = None,
+        work_dir: str | None = None,
         final_check: bool = False,
         hostname=None,
     ) -> subprocess.Popen:
@@ -274,7 +272,7 @@ def kill_worker(self, worker_id: int, signal: int = signal.SIGTERM, wait=True):
         if wait:
             wait_until(lambda: process.poll() is not None)
 
-    def find_process_by_pid(self, pid: int) -> Optional[ManagedProcess]:
+    def find_process_by_pid(self, pid: int) -> ManagedProcess | None:
         for p in self.processes:
             if p.process.pid == pid:
                 return p
@@ -294,7 +292,7 @@ def command(
         ignore_stderr=False,
         env=None,
         use_server_dir=True,
-        cmd_prefix: Optional[List[str]] = None,
+        cmd_prefix: list[str] | None = None,
     ):
         cmd_prefix = cmd_prefix if cmd_prefix is not None else []
         if isinstance(args, str):

tests/test_cli_alloc.py

@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 import pytest
 from click.testing import CliRunner
 

tests/test_cli_install.py

@@ -1,8 +1,6 @@
-# -*- coding: utf-8 -*-
 import pytest
-from click.testing import CliRunner
-
 from aiida_hyperqueue.cli import cmd_install
+from click.testing import CliRunner
 
 
 @pytest.fixture
@@ -18,7 +16,7 @@ def test_install(runner, tmp_path, aiida_computer_local):
         cmd_install,
         [
             "-p",
-            f"{str(tmp_path.resolve())}",
+            f"{tmp_path.resolve()!s}",
             "--hq-version",
             version,
             "--no-write-bashrc",

tests/test_cli_server.py

@@ -1,10 +1,10 @@
-# -*- coding: utf-8 -*-
-import pytest
 import time
+
+import pytest
+from aiida_hyperqueue.cli import cmd_info, cmd_start, cmd_stop
 from click.testing import CliRunner
 
 from aiida.transports.transport import Transport as TransportClass
-from aiida_hyperqueue.cli import cmd_info, cmd_start, cmd_stop
 
 from .conftest import HqEnv, get_hq_binary
 
@@ -57,11 +57,11 @@ def _mock_exec_command_wait(obj, command: str, **kwargs):
         cmd_list = command.split(" ")
         if command.startswith("hq"):  # `hq`
             command = " ".join(
-                [f"{hq}", "--server-dir", f"{str(tmp_path.resolve())}"] + cmd_list[1:]
+                [f"{hq}", "--server-dir", f"{tmp_path.resolve()!s}"] + cmd_list[1:]
             )
         elif command.startswith("nohup hq"):  # `nohup hq`
             command = " ".join(
-                [f"nohup {hq}", "--server-dir", f"{str(tmp_path.resolve())}"]
+                [f"nohup {hq}", "--server-dir", f"{tmp_path.resolve()!s}"]
                 + cmd_list[2:]
             )
 

tests/test_scheduler.py

@@ -1,14 +1,14 @@
-# -*- coding: utf-8 -*-
 """Tests for command line interface."""
 
-import pytest
 import uuid
 from pathlib import Path
 
-from aiida.schedulers import JobState
+import pytest
+from aiida_hyperqueue.scheduler import HyperQueueJobResource, HyperQueueScheduler
+
 from aiida.common.datastructures import CodeRunMode
+from aiida.schedulers import JobState
 from aiida.schedulers.datastructures import JobTemplate, JobTemplateCodeInfo
-from aiida_hyperqueue.scheduler import HyperQueueJobResource, HyperQueueScheduler
 
 from .conftest import HqEnv
 from .utils import wait_for_job_state

tests/utils/__init__.py

@@ -1,11 +1,10 @@
-# -*- coding: utf-8 -*-
 from .table import JOB_TABLE_ROWS, parse_table, parse_tables
 from .wait import wait_for_job_state, wait_for_worker_state
 
 __all__ = [
-    "wait_for_job_state",
-    "wait_for_worker_state",
+    "JOB_TABLE_ROWS",
     "parse_table",
     "parse_tables",
-    "JOB_TABLE_ROWS",
+    "wait_for_job_state",
+    "wait_for_worker_state",
 ]

tests/utils/cmd.py

@@ -1,15 +1,11 @@
-# -*- coding: utf-8 -*-
-from typing import List
-
-
-def python(command: str) -> List[str]:
+def python(command: str) -> list[str]:
     """
     Returns commands that will run the specified command as a Python script.
     """
     return ["python3", "-c", command]
 
 
-def bash(command: str) -> List[str]:
+def bash(command: str) -> list[str]:
     """
     Returns commands that will run in a bash script.
     """

tests/utils/io.py

@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 import socket
 from contextlib import closing