diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 5be40d2..4f7ca50 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -1,12 +1,11 @@ name: CI Pipeline (PRs and pushes main) run-name: Merged to main by ${{ github.actor }} + on: push: - branches: - - main + branches: [main] pull_request: - branches: - - main + branches: [main] permissions: contents: read @@ -23,16 +22,16 @@ jobs: - name: Checkout repository uses: actions/checkout@v4 - - name: Set up Python ${{ matrix.python-version }} - uses: actions/setup-python@v4 + - name: Set up Python + uses: actions/setup-python@v5 with: python-version: ${{ matrix.python-version }} - cache: pip - - name: Install package with pip - run: | - python -m pip install --upgrade pip - pip install .[dev] + - name: Install uv + uses: astral-sh/setup-uv@v3 + + - name: Install dependencies + run: uv sync --group dev - name: Run tests - run: pytest \ No newline at end of file + run: uv run pytest diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 7982536..1aed7f7 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -1,19 +1,58 @@ fail_fast: true repos: - repo: https://github.com/pre-commit/pre-commit-hooks - rev: v4.4.0 + rev: v6.0.0 hooks: + - id: check-ast + - id: check-builtin-literals + - id: check-case-conflict + - id: check-docstring-first + - id: check-illegal-windows-names + - id: check-merge-conflict + - id: check-shebang-scripts-are-executable + - id: check-symlinks + - id: check-toml - id: check-yaml -- repo: https://github.com/astral-sh/uv-pre-commit - rev: 0.9.5 + - id: debug-statements + # - id: end-of-file-fixer + # - id: mixed-line-ending + # - id: trailing-whitespace +- repo: https://github.com/fpgmaas/deptry + rev: 0.24.0 hooks: - - id: uv-lock + - id: deptry + language: python + additional_dependencies: [deptry] + exclude: '^(?!.*\.py$).*$' +- repo: https://github.com/asottile/pyupgrade + rev: v3.21.2 + hooks: + - id: pyupgrade +- repo: https://github.com/asottile/add-trailing-comma + rev: v4.0.0 + hooks: + - id: add-trailing-comma - repo: https://github.com/astral-sh/ruff-pre-commit - rev: v0.5.0 + rev: v0.14.14 hooks: - - id: ruff - args: [ --fix ] + - id: ruff-check + args: + - --fix - id: ruff-format +- repo: https://github.com/astral-sh/uv-pre-commit + rev: 0.9.28 + hooks: + - id: uv-lock +- repo: https://github.com/tombi-toml/tombi-pre-commit + rev: v0.7.25 + hooks: + - id: tombi-format + - id: tombi-lint +- repo: https://github.com/crate-ci/typos + rev: v1 + hooks: + - id: typos + exclude: "CITATION.cff|README.md" - repo: local hooks: - id: uv-upgrade @@ -25,4 +64,4 @@ repos: name: pytest entry: uv run pytest language: system - types: [ file, python ] \ No newline at end of file + types: [ file, python ] diff --git a/CHANGELOG.md b/CHANGELOG.md index 4f509a0..7bd4a98 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -71,7 +71,7 @@ This project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.htm - Changelog: flattened structure, changed identifiers to ORCID, changed versioning to major alone (before 'major.minor') - Evidence: flattened structure to a single object (before: a list of objects) - Reaction database IDs: flattened structure, changed formatting of EC to the code (e.g. 1.2.3.4) alone (before: string had to start with 'EC'), drop MITE crosslinks -- References: removed non-peristing reference types, only DOI allowed (before: url, pubmed, patent) +- References: removed non-persisting reference types, only DOI allowed (before: url, pubmed, patent) - Tailoring reaction terms: removed 'FADH2 supply for chlorination' since it is not tailoring per se - Status: removed 'embargoed' specification diff --git a/mite_schema/main.py b/mite_schema/main.py index a225b07..ba9a1f2 100644 --- a/mite_schema/main.py +++ b/mite_schema/main.py @@ -45,8 +45,8 @@ def config_logger(verboseness: str) -> logging.Logger: console_handler = logging.StreamHandler(sys.stdout) console_handler.setFormatter( coloredlogs.ColoredFormatter( - "%(asctime)s - %(name)s - %(levelname)s - %(message)s" - ) + "%(asctime)s - %(name)s - %(levelname)s - %(message)s", + ), ) logger.addHandler(console_handler) return logger @@ -98,7 +98,7 @@ def main() -> None: logger = config_logger(args.v) logger.info( - f"Validate file '{args.i}' with MITE schema v{metadata.version('mite_schema')}." + f"Validate file '{args.i}' with MITE schema v{metadata.version('mite_schema')}.", ) for file in args.i: diff --git a/pyproject.toml b/pyproject.toml index d410ec4..4131c95 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,57 +1,45 @@ -[build-system] -requires = ["hatchling"] -build-backend = "hatchling.build" - [project] name = "mite_schema" version = "1.8.4" description = "Containing the Minimum Information about a Tailoring Enzymes data standard schema and auxiliary methods" readme = "README.md" requires-python = ">=3.11" -license-files = { paths = ["LICENSE"] } -authors = [ - { name = "Mitja M. Zdouc", email = "zdoucmm@gmail.com" } -] -keywords = [ - "cheminformatics", - "genomics" -] +license-files = ["LICENSE"] +authors = [{ name = "Mitja M. Zdouc", email = "zdoucmm@gmail.com" }] +keywords = ["cheminformatics", "genomics"] classifiers = [ - "Programming Language :: Python :: 3.11", - "Programming Language :: Python :: 3.12", - "License :: OSI Approved :: MIT License", - "Operating System :: POSIX :: Linux", - "Development Status :: 4 - Beta", - "Topic :: Scientific/Engineering :: Bio-Informatics", - "Topic :: Scientific/Engineering :: Chemistry" + "Development Status :: 4 - Beta", + "License :: OSI Approved :: MIT License", + "Operating System :: POSIX :: Linux", + "Programming Language :: Python :: 3.11", + "Programming Language :: Python :: 3.12", + "Topic :: Scientific/Engineering :: Bio-Informatics", + "Topic :: Scientific/Engineering :: Chemistry" ] dependencies = [ - "argparse~=1.4", - "coloredlogs~=15.0", - "jsonschema~=4.25", - "pydantic~=2.11", + "coloredlogs~=15.0", + "jsonschema~=4.25", + "pydantic~=2.11", ] [project.urls] -Website = "https://mite.bioinformatics.nl/" +Discussions = "https://github.com/orgs/mite-standard/discussions/3" Homepage = "https://github.com/mite-standard/mite_schema" Issues = "https://github.com/mite-standard/mite_schema/issues" -Discussions = "https://github.com/orgs/mite-standard/discussions/3" +Website = "https://mite.bioinformatics.nl/" [project.scripts] mite_schema = "mite_schema.main:main" -[project.optional-dependencies] -dev = [ - "pre-commit~=4.3", - "pytest~=8.4", - "ruff~=0.13" -] +[dependency-groups] +dev = ["pre-commit~=4.3", "pytest~=8.4", "ruff~=0.13"] + +[build-system] +requires = ["hatchling"] +build-backend = "hatchling.build" [tool.hatch.envs.dev] -features = [ - "dev" -] +features = ["dev"] [tool.hatch.build.targets.sdist] exclude = [ @@ -71,48 +59,36 @@ exclude = [ [tool.hatch.build.targets.wheel] packages = ["mite_schema"] -[tool.pytest.ini_options] -minversion = "6.0" -addopts = "-ra -q" -testpaths = [ - "tests", -] -pythonpath = [ - "mite_schema" -] - [tool.ruff.lint] select = [ - # flake8-bugbear - "B", - # flake8-comprehensions - "C4", - # flake8-eradicate/eradicate - "ERA", - # isort - "I", - # pep8-naming - "N", - # flake8-pie - "PIE", - # pygrep - "PGH", - # ruff checks - "RUF", - # flake8-simplify - "SIM", - # flake8-type-checking - "TCH", - # flake8-tidy-imports - "TID", - # pyupgrade - "UP", + # flake8-bugbear + "B", + # flake8-comprehensions + "C4", + # flake8-eradicate/eradicate + "ERA", + # isort + "I", + # pep8-naming + "N", + # flake8-pie + "PIE", + # pygrep + "PGH", + # ruff checks + "RUF", + # flake8-simplify + "SIM", + # flake8-tidy-imports + "TID", + # pyupgrade + "UP", ] ignore = [ - # whitespace-before-punctuation - "E203", - # percent-format-invalid-format - "E501", - # mixed-case-variable-in-class-scope - "N815" + # whitespace-before-punctuation + "E203", + # percent-format-invalid-format + "E501", + # mixed-case-variable-in-class-scope + "N815" ] diff --git a/tests/test_main_cli.py b/tests/test_main_cli.py index 4b17810..956a824 100644 --- a/tests/test_main_cli.py +++ b/tests/test_main_cli.py @@ -12,7 +12,8 @@ def test_no_attrs(monkeypatch): def test_cli_single_valid(monkeypatch): monkeypatch.setattr( - "sys.argv", ["mite-schema", "-i", "tests/example_files/example_valid.json"] + "sys.argv", + ["mite-schema", "-i", "tests/example_files/example_valid.json"], ) with pytest.raises(SystemExit) as e: main() @@ -36,7 +37,8 @@ def test_cli_multi_valid(monkeypatch): def test_cli_single_invalid(monkeypatch): monkeypatch.setattr( - "sys.argv", ["mite-schema", "-i", "tests/example_files/example_invalid.json"] + "sys.argv", + ["mite-schema", "-i", "tests/example_files/example_invalid.json"], ) with pytest.raises(SystemExit) as e: main() @@ -45,7 +47,8 @@ def test_cli_single_invalid(monkeypatch): def test_cli_multi_invalid(monkeypatch): monkeypatch.setattr( - "sys.argv", ["mite-schema", "-i", "tests/example_files/example_invalid.json"] + "sys.argv", + ["mite-schema", "-i", "tests/example_files/example_invalid.json"], ) with pytest.raises(SystemExit) as e: main() 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