diff --git a/.github/workflows/docs.yaml b/.github/workflows/docs.yaml index f34086b..467ce8d 100644 --- a/.github/workflows/docs.yaml +++ b/.github/workflows/docs.yaml @@ -21,14 +21,14 @@ jobs: runs-on: ubuntu-latest steps: - - uses: actions/checkout@v4 + - uses: actions/checkout@v7 with: fetch-depth: 0 - name: setup_miniconda - uses: conda-incubator/setup-miniconda@v3 + uses: conda-incubator/setup-miniconda@v4 with: - python-version: 3.11 + python-version: 3.14 environment-file: docs/requirements.yaml add-pip-as-python-dependency: true architecture: x64 @@ -56,7 +56,7 @@ jobs: - name: deploy docs if: github.event_name != 'pull_request' - uses: peaceiris/actions-gh-pages@v4 + uses: peaceiris/actions-gh-pages@v4.1.0 with: github_token: ${{ secrets.GITHUB_TOKEN }} publish_dir: ./docs/html diff --git a/.github/workflows/gh-ci.yaml b/.github/workflows/gh-ci.yaml index e1b12e6..6d65aff 100644 --- a/.github/workflows/gh-ci.yaml +++ b/.github/workflows/gh-ci.yaml @@ -24,17 +24,17 @@ jobs: strategy: fail-fast: false matrix: - os: [macOS-latest, ubuntu-latest, windows-latest] - python-version: ["3.10", "3.11", "3.12"] + os: [macOS-latest, ubuntu-latest] # ignore windows-latest for now + python-version: ["3.11", "3.12", "3.13", "3.14"] mdanalysis-version: ["latest", "develop"] # Manually exclude any combinations of the test matrix that can't be run - exclude: + #exclude: # The latest release of MDAnalysis only supports up to Python 3.11 # so we exclude 3.12 from the test matrix (issue #69) - - python-version: "3.12" - mdanalysis-version: "latest" + #- python-version: "3.12" + # mdanalysis-version: "latest" steps: - - uses: actions/checkout@v4 + - uses: actions/checkout@v7 with: fetch-depth: 0 @@ -45,7 +45,7 @@ jobs: ulimit -a - name: Install conda dependencies - uses: conda-incubator/setup-miniconda@v3 + uses: conda-incubator/setup-miniconda@v4 with: python-version: ${{ matrix.python-version }} environment-file: devtools/environment.yml @@ -93,10 +93,10 @@ jobs: - name: codecov if: ${{ github.repository == 'Becksteinlab/propkatraj' && github.event_name != 'schedule' }} - uses: codecov/codecov-action@v4 + uses: codecov/codecov-action@v7 with: token: ${{ secrets.CODECOV_TOKEN }} - file: coverage.xml + files: coverage.xml fail_ci_if_error: True verbose: True @@ -105,10 +105,10 @@ jobs: runs-on: ubuntu-latest steps: - - uses: actions/checkout@v4 + - uses: actions/checkout@v7 - name: Set up Python - uses: actions/setup-python@v5 + uses: actions/setup-python@v6 with: python-version: "3.11" @@ -128,10 +128,10 @@ jobs: runs-on: ubuntu-latest steps: - - uses: actions/checkout@v4 + - uses: actions/checkout@v7 - name: Set up Python - uses: actions/setup-python@v5 + uses: actions/setup-python@v6 with: python-version: "3.11" diff --git a/docs/requirements.yaml b/docs/requirements.yaml index 83571f1..062edbc 100644 --- a/docs/requirements.yaml +++ b/docs/requirements.yaml @@ -2,7 +2,8 @@ name: propkatrajdocs channels: - conda-forge dependencies: - - python >=3.10 + - python >=3.11 + - setuptools>=61.2,<81 - pip # propkatraj dependencies - MDAnalysis >=2.0.0 diff --git a/pyproject.toml b/pyproject.toml index 029f9ec..1f59e25 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -25,15 +25,17 @@ classifiers = [ "License :: OSI Approved :: GNU General Public License v2 or later (GPLv2+)", "Programming Language :: C", "Programming Language :: Python", - "Programming Language :: Python :: 3.10", "Programming Language :: Python :: 3.11", - "Programming Language :: Python :: 3.12", + "Programming Language :: Python :: 3.12", + "Programming Language :: Python :: 3.13", + "Programming Language :: Python :: 3.14", "Topic :: Scientific/Engineering", "Topic :: Software Development :: Libraries :: Python Modules", ] readme = "README.md" -requires-python = ">=3.10" +requires-python = ">=3.11" dependencies = [ + "setuptools >= 61.2,<81", # pkg_resources are currently required and were removed in 81.0.0, see gh-80 "MDAnalysis>=2.1.0", "numpy", "pandas", diff --git a/readthedocs.yaml b/readthedocs.yaml index 21e9f00..af02c21 100644 --- a/readthedocs.yaml +++ b/readthedocs.yaml @@ -3,22 +3,21 @@ version: 2 build: - os: ubuntu-22.04 + os: ubuntu-24.04 tools: - python: "3.11" + # Miniforge provides mamba; Python version comes from docs/requirements.yaml + python: miniforge3-latest -# Build documentation in the docs/ directory with Sphinx sphinx: - configuration: docs/sphinx/conf.py + configuration: docs/sphinx/conf.py -# Optionally build your docs in additional formats such as PDF formats: - - pdf + - pdf + +conda: + environment: docs/requirements.yaml python: install: - method: pip path: . - -conda: - environment: docs/requirements.yaml