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4 changes: 4 additions & 0 deletions CHANGELOG.md
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## Version 0.6.2

- The operation for obtaining the list of working nodes at job start is now retried potentially decreasing the number of failures on unstable systems (like Metacentrum).

## Version 0.6.1

- `qq cd -h` now properly prints help.
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2 changes: 1 addition & 1 deletion README.md
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Expand Up @@ -7,6 +7,6 @@

**qq** is a lightweight wrapper for batch scheduling systems, designed to provide a consistent and simplified interface across different schedulers. qq makes it easier to submit, monitor, and manage jobs without needing to learn the details of each backend.

Read the [qq manual](https://ladme.github.io/qq-manual) for more information.
Read the [qq manual](https://vachalab.github.io/qq-manual) for more information.

**Designed for the specific needs of the [RoVa Research Group](https://vacha.ceitec.cz/).**
8 changes: 4 additions & 4 deletions pyproject.toml
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Expand Up @@ -36,10 +36,10 @@ dependencies = [
dynamic = ["version"]

[project.urls]
Homepage = "https://ladme.github.io/qq-manual"
Repository = "https://github.com/Ladme/qq"
Issues = "https://github.com/Ladme/qq/issues"
Documentation = "https://ladme.github.io/qq-manual"
Homepage = "https://vachalab.github.io/qq-manual"
Repository = "https://github.com/VachaLab/qq"
Issues = "https://github.com/VachaLab/qq/issues"
Documentation = "https://qq.readthedocs.io/"

[dependency-groups]
dev = [
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4 changes: 2 additions & 2 deletions scripts/qq_scripts/gmx-eta
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#!/usr/bin/env -S uv run --script

# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

"""
Get the estimated time of a Gromacs simulation finishing.
Expand All @@ -16,7 +16,7 @@ Requires `uv`: https://docs.astral.sh/uv
# ]
#
# [tool.uv.sources]
# qq = { git = "https://github.com/Ladme/qq.git", tag = "v0.6.1" }
# qq = { git = "https://github.com/Ladme/qq.git", tag = "v0.6.2" }
# ///

import argparse
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4 changes: 2 additions & 2 deletions scripts/qq_scripts/multi-check
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@@ -1,7 +1,7 @@
#!/usr/bin/env -S uv run --script

# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

"""
Check the state of qq jobs in multiple directories.
Expand All @@ -16,7 +16,7 @@ Requires `uv`: https://docs.astral.sh/uv
# ]
#
# [tool.uv.sources]
# qq = { git = "https://github.com/Ladme/qq.git", tag = "v0.6.1" }
# qq = { git = "https://github.com/Ladme/qq.git", tag = "v0.6.2" }
# ///

import argparse
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4 changes: 2 additions & 2 deletions scripts/qq_scripts/multi-kill
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@@ -1,7 +1,7 @@
#!/usr/bin/env -S uv run --script

# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

"""
Kill qq jobs in multiple directories.
Expand All @@ -16,7 +16,7 @@ Requires `uv`: https://docs.astral.sh/uv
# ]
#
# [tool.uv.sources]
# qq = { git = "https://github.com/Ladme/qq.git", tag = "v0.6.1" }
# qq = { git = "https://github.com/Ladme/qq.git", tag = "v0.6.2" }
# ///

import argparse
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4 changes: 2 additions & 2 deletions scripts/qq_scripts/multi-submit
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@@ -1,7 +1,7 @@
#!/usr/bin/env -S uv run --script

# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

"""
Submit qq jobs from multiple directories.
Expand All @@ -16,7 +16,7 @@ Requires `uv`: https://docs.astral.sh/uv
# ]
#
# [tool.uv.sources]
# qq = { git = "https://github.com/Ladme/qq.git", tag = "v0.6.1" }
# qq = { git = "https://github.com/Ladme/qq.git", tag = "v0.6.2" }
# ///

import argparse
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2 changes: 1 addition & 1 deletion src/main.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

from qq_lib import cli

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2 changes: 1 addition & 1 deletion src/qq_lib/__init__.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

"""
Core implementation of the qq command-line tool.
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2 changes: 1 addition & 1 deletion src/qq_lib/archive/__init__.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

"""
Utilities for archiving and retrieving job-related files.
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2 changes: 1 addition & 1 deletion src/qq_lib/archive/archiver.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

import re
import socket
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2 changes: 1 addition & 1 deletion src/qq_lib/batch/__init__.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

"""
Batch-system support for qq.
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2 changes: 1 addition & 1 deletion src/qq_lib/batch/interface/__init__.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

"""
Abstractions for integrating qq with HPC batch scheduling systems.
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2 changes: 1 addition & 1 deletion src/qq_lib/batch/interface/interface.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab


import socket
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2 changes: 1 addition & 1 deletion src/qq_lib/batch/interface/job.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab


from abc import ABC, abstractmethod
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2 changes: 1 addition & 1 deletion src/qq_lib/batch/interface/meta.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab


import os
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2 changes: 1 addition & 1 deletion src/qq_lib/batch/interface/node.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

from abc import ABC, abstractmethod

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2 changes: 1 addition & 1 deletion src/qq_lib/batch/interface/queue.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

from abc import ABC, abstractmethod
from datetime import timedelta
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2 changes: 1 addition & 1 deletion src/qq_lib/batch/pbs/__init__.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

"""
PBS backend for qq: job submission, monitoring, and cluster-resource access.
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2 changes: 1 addition & 1 deletion src/qq_lib/batch/pbs/common.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab


import re
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2 changes: 1 addition & 1 deletion src/qq_lib/batch/pbs/job.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

import re
import subprocess
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2 changes: 1 addition & 1 deletion src/qq_lib/batch/pbs/node.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

import subprocess
from typing import Self
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2 changes: 1 addition & 1 deletion src/qq_lib/batch/pbs/pbs.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab


import os
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2 changes: 1 addition & 1 deletion src/qq_lib/batch/pbs/queue.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

import socket
import subprocess
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2 changes: 1 addition & 1 deletion src/qq_lib/batch/slurm/__init__.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

"""
Slurm backend for qq: job submission, monitoring, and cluster-resource access.
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2 changes: 1 addition & 1 deletion src/qq_lib/batch/slurm/common.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

from dataclasses import fields

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2 changes: 1 addition & 1 deletion src/qq_lib/batch/slurm/job.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

import re
import subprocess
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2 changes: 1 addition & 1 deletion src/qq_lib/batch/slurm/node.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

import subprocess
from typing import Self
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2 changes: 1 addition & 1 deletion src/qq_lib/batch/slurm/queue.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

import subprocess
from datetime import timedelta
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2 changes: 1 addition & 1 deletion src/qq_lib/batch/slurm/slurm.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

import os
import shutil
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2 changes: 1 addition & 1 deletion src/qq_lib/batch/slurmit4i/__init__.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

"""
SlurmIT4I backend for qq: job submission, monitoring, and IT4I-specific
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2 changes: 1 addition & 1 deletion src/qq_lib/batch/slurmit4i/slurm.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

import getpass
import os
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2 changes: 1 addition & 1 deletion src/qq_lib/batch/slurmlumi/__init__.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

"""
SlurmLumi backend for qq: job submission, monitoring, and LUMI-specific
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2 changes: 1 addition & 1 deletion src/qq_lib/batch/slurmlumi/slurm.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

import getpass
import os
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2 changes: 1 addition & 1 deletion src/qq_lib/cd/__init__.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

"""
Utilities for locating and retrieving the input directory of a job.
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2 changes: 1 addition & 1 deletion src/qq_lib/cd/cder.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab


from pathlib import Path
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2 changes: 1 addition & 1 deletion src/qq_lib/cd/cli.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab


import sys
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2 changes: 1 addition & 1 deletion src/qq_lib/clear/__init__.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

"""
Utilities for detecting and removing qq runtime files.
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2 changes: 1 addition & 1 deletion src/qq_lib/clear/clearer.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab


from collections.abc import Iterable
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2 changes: 1 addition & 1 deletion src/qq_lib/clear/cli.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

import sys
from pathlib import Path
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2 changes: 1 addition & 1 deletion src/qq_lib/core/__init__.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

"""
Core infrastructure for qq.
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2 changes: 1 addition & 1 deletion src/qq_lib/core/click_format.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

"""
GNU-style help formatting for Click commands.
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2 changes: 1 addition & 1 deletion src/qq_lib/core/common.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

"""
General utility functions for the qq library.
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2 changes: 1 addition & 1 deletion src/qq_lib/core/config.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

"""
Configuration system for qq.
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2 changes: 1 addition & 1 deletion src/qq_lib/core/error.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

"""
Exception types used throughout qq.
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2 changes: 1 addition & 1 deletion src/qq_lib/core/error_handlers.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

"""
Error-handling utilities for qq operations.
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2 changes: 1 addition & 1 deletion src/qq_lib/core/field_coupling.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

"""
Utilities for defining and enforcing coupled fields in dataclasses.
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2 changes: 1 addition & 1 deletion src/qq_lib/core/logger.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

"""
Unified logging utilities for qq.
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2 changes: 1 addition & 1 deletion src/qq_lib/core/navigator.py
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@@ -1,5 +1,5 @@
# Released under MIT License.
# Copyright (c) 2025 Ladislav Bartos and Robert Vacha Lab
# Copyright (c) 2025-2026 Ladislav Bartos and Robert Vacha Lab

"""
Navigation utilities for qq job directories.
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