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.pre-commit-config.yaml
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ci:
autoupdate_schedule: monthly
autofix_prs: true
skip: [mypy, pylint, dm-generate-all, dependencies, verdi-autodocs]
repos:
- repo: https://github.com/pre-commit/pre-commit-hooks
rev: v4.4.0
hooks:
- id: double-quote-string-fixer
- id: end-of-file-fixer
exclude: &exclude_pre_commit_hooks >
(?x)^(
tests/.*(?<!\.py)$|
docs/source/.+\.aiida/repo/.+|
CHANGELOG.md|
)$
- id: fix-encoding-pragma
- id: mixed-line-ending
- id: trailing-whitespace
exclude: *exclude_pre_commit_hooks
- id: check-yaml
- repo: https://github.com/pycqa/isort
rev: 5.12.0
hooks:
- id: isort
- repo: https://github.com/ikamensh/flynt/
rev: '0.77'
hooks:
- id: flynt
args: [
'--line-length=120',
'--fail-on-change',
]
- repo: https://github.com/google/yapf
rev: v0.32.0
hooks:
- id: yapf
name: yapf
types: [python]
exclude: &exclude_files >
(?x)^(
docs/.*|
)$
args: ['-i']
additional_dependencies: ['toml']
- repo: local
hooks:
- id: imports
name: imports
entry: python utils/make_all.py
language: python
types: [python]
require_serial: true
pass_filenames: false
files: aiida/.*py
- id: mypy
name: mypy
entry: mypy
args: [--config-file=pyproject.toml]
language: python
types: [python]
require_serial: true
pass_filenames: true
exclude: >-
(?x)^(
.github/.*|
.molecule/.*|
docs/.*|
utils/.*|
aiida/calculations/arithmetic/add.py|
aiida/calculations/diff_tutorial/calculations.py|
aiida/calculations/templatereplacer.py|
aiida/calculations/transfer.py|
aiida/cmdline/commands/cmd_archive.py|
aiida/cmdline/commands/cmd_calcjob.py|
aiida/cmdline/commands/cmd_code.py|
aiida/cmdline/commands/cmd_computer.py|
aiida/cmdline/commands/cmd_data/cmd_list.py|
aiida/cmdline/commands/cmd_data/cmd_upf.py|
aiida/cmdline/commands/cmd_devel.py|
aiida/cmdline/commands/cmd_group.py|
aiida/cmdline/commands/cmd_node.py|
aiida/cmdline/commands/cmd_shell.py|
aiida/cmdline/commands/cmd_storage.py|
aiida/cmdline/groups/dynamic.py|
aiida/cmdline/params/options/commands/setup.py|
aiida/cmdline/params/options/interactive.py|
aiida/cmdline/params/options/main.py|
aiida/cmdline/params/options/multivalue.py|
aiida/cmdline/params/types/group.py|
aiida/cmdline/params/types/plugin.py|
aiida/cmdline/utils/ascii_vis.py|
aiida/cmdline/utils/common.py|
aiida/cmdline/utils/echo.py|
aiida/common/extendeddicts.py|
aiida/common/hashing.py|
aiida/common/utils.py|
aiida/engine/daemon/execmanager.py|
aiida/engine/processes/calcjobs/manager.py|
aiida/engine/processes/calcjobs/monitors.py|
aiida/engine/processes/calcjobs/tasks.py|
aiida/engine/processes/control.py|
aiida/engine/processes/functions.py|
aiida/engine/processes/ports.py|
aiida/manage/configuration/__init__.py|
aiida/manage/configuration/config.py|
aiida/manage/configuration/profile.py|
aiida/manage/configuration/settings.py|
aiida/manage/external/rmq/launcher.py|
aiida/manage/tests/main.py|
aiida/manage/tests/pytest_fixtures.py|
aiida/orm/comments.py|
aiida/orm/computers.py|
aiida/orm/implementation/storage_backend.py|
aiida/orm/nodes/caching.py|
aiida/orm/nodes/comments.py|
aiida/orm/nodes/data/array/array.py|
aiida/orm/nodes/data/array/bands.py|
aiida/orm/nodes/data/array/trajectory.py|
aiida/orm/nodes/data/cif.py|
aiida/orm/nodes/data/remote/base.py|
aiida/orm/nodes/data/structure.py|
aiida/orm/nodes/data/upf.py|
aiida/orm/nodes/process/calculation/calcjob.py|
aiida/orm/nodes/process/process.py|
aiida/orm/utils/builders/code.py|
aiida/orm/utils/builders/computer.py|
aiida/orm/utils/calcjob.py|
aiida/orm/utils/node.py|
aiida/orm/utils/remote.py|
aiida/repository/backend/disk_object_store.py|
aiida/repository/backend/sandbox.py|
aiida/restapi/common/utils.py|
aiida/restapi/resources.py|
aiida/restapi/run_api.py|
aiida/restapi/translator/base.py|
aiida/restapi/translator/computer.py|
aiida/restapi/translator/group.py|
aiida/restapi/translator/nodes/.*|
aiida/restapi/translator/user.py|
aiida/schedulers/plugins/direct.py|
aiida/schedulers/plugins/lsf.py|
aiida/schedulers/plugins/pbsbaseclasses.py|
aiida/schedulers/plugins/sge.py|
aiida/schedulers/plugins/slurm.py|
aiida/storage/psql_dos/migrations/utils/integrity.py|
aiida/storage/psql_dos/migrations/utils/legacy_workflows.py|
aiida/storage/psql_dos/migrations/utils/migrate_repository.py|
aiida/storage/psql_dos/migrations/utils/parity.py|
aiida/storage/psql_dos/migrations/utils/reflect.py|
aiida/storage/psql_dos/migrations/utils/utils.py|
aiida/storage/psql_dos/migrations/versions/1de112340b16_django_parity_1.py|
aiida/storage/psql_dos/migrator.py|
aiida/storage/psql_dos/models/.*|
aiida/storage/psql_dos/orm/.*|
aiida/storage/sqlite_temp/backend.py|
aiida/storage/sqlite_zip/backend.py|
aiida/storage/sqlite_zip/migrations/legacy_to_main.py|
aiida/storage/sqlite_zip/migrator.py|
aiida/storage/sqlite_zip/models.py|
aiida/storage/sqlite_zip/orm.py|
aiida/tools/data/array/kpoints/legacy.py|
aiida/tools/data/array/kpoints/seekpath.py|
aiida/tools/data/orbital/orbital.py|
aiida/tools/data/orbital/realhydrogen.py|
aiida/tools/dbimporters/plugins/.*|
aiida/tools/graph/age_entities.py|
aiida/tools/graph/age_rules.py|
aiida/tools/graph/deletions.py|
aiida/tools/graph/graph_traversers.py|
aiida/tools/groups/paths.py|
aiida/tools/query/calculation.py|
aiida/tools/query/mapping.py|
aiida/transports/cli.py|
aiida/transports/plugins/local.py|
aiida/transports/plugins/ssh.py|
aiida/workflows/arithmetic/multiply_add.py|
tests/conftest.py|
tests/repository/conftest.py|
tests/repository/test_repository.py|
tests/sphinxext/sources/workchain/conf.py|
tests/sphinxext/sources/workchain_broken/conf.py|
tests/storage/psql_dos/migrations/conftest.py|
tests/storage/psql_dos/migrations/django_branch/test_0026_0027_traj_data.py|
tests/test_calculation_node.py|
tests/test_nodes.py|
)$
- id: pylint
name: pylint
entry: pylint
types: [python]
language: system
exclude: *exclude_files
- id: dm-generate-all
name: Update all requirements files
entry: python ./utils/dependency_management.py generate-all
language: system
pass_filenames: false
files: >-
(?x)^(
pyproject.toml|
utils/dependency_management.py
)$
- id: dependencies
name: Validate environment.yml
entry: python ./utils/dependency_management.py validate-environment-yml
language: system
pass_filenames: false
files: >-
(?x)^(
pyproject.toml|
utils/dependency_management.py|
environment.yml|
)$
- id: verdi-autodocs
name: Automatically generating verdi docs
entry: python ./utils/validate_consistency.py verdi-autodocs
language: system
pass_filenames: false
files: >-
(?x)^(
aiida/cmdline/commands/.*|
aiida/cmdline/params/.*|
aiida/cmdline/params/types/.*|
utils/validate_consistency.py|
)$