diff --git a/.github/workflows/benchmark.yml b/.github/workflows/benchmark.yml index 1dd68277..20f8dc6d 100644 --- a/.github/workflows/benchmark.yml +++ b/.github/workflows/benchmark.yml @@ -13,7 +13,12 @@ jobs: uses: actions/setup-python@v5 with: python-version: 3.12 - - run: curl -LsSf https://astral.sh/uv/install.sh | sh + - uses: astral-sh/setup-uv@v3 + with: + enable-cache: true + cache-dependency-glob: | + **/requirements*.txt + **/pyproject.toml - name: Install dependencies run: uv pip install --system .[test,amber,ase,pymatgen,benchmark] rdkit openbabel-wheel - name: Run benchmarks diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index a6d23270..0d855f4a 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -18,7 +18,13 @@ jobs: uses: actions/setup-python@v5 with: python-version: ${{ matrix.python-version }} - - run: curl -LsSf https://astral.sh/uv/install.sh | sh + - uses: astral-sh/setup-uv@v3 + with: + enable-cache: true + cache-dependency-glob: | + **/requirements*.txt + **/pyproject.toml + cache-suffix: "py${{ matrix.python-version }}" - name: Install dependencies run: uv pip install --system .[test,amber,ase,pymatgen] coverage ./tests/plugin rdkit openbabel-wheel - name: Test diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index d921a886..898923be 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -2,7 +2,7 @@ # See https://pre-commit.com/hooks.html for more hooks repos: - repo: https://github.com/pre-commit/pre-commit-hooks - rev: v4.6.0 + rev: v5.0.0 hooks: # there are many log files in tests # TODO: seperate py files and log files @@ -21,7 +21,7 @@ repos: # Python - repo: https://github.com/astral-sh/ruff-pre-commit # Ruff version. - rev: v0.6.7 + rev: v0.6.9 hooks: - id: ruff args: ["--fix"] @@ -36,7 +36,7 @@ repos: args: ["--write"] # Python inside docs - repo: https://github.com/asottile/blacken-docs - rev: 1.18.0 + rev: 1.19.0 hooks: - id: blacken-docs ci: