diff --git a/.github/workflows/gh-ci.yaml b/.github/workflows/gh-ci.yaml index 57f383b..b0bd679 100644 --- a/.github/workflows/gh-ci.yaml +++ b/.github/workflows/gh-ci.yaml @@ -23,31 +23,21 @@ defaults: shell: bash -l {0} jobs: - environment-config: - runs-on: ubuntu-latest - outputs: - stable-python-version: ${{ steps.get-compatible-python.outputs.stable-python }} - python-matrix: ${{ steps.get-compatible-python.outputs.python-versions }} - steps: - - uses: actions/setup-python@v4 - with: - python-version: "3.11" - - - id: get-compatible-python - uses: MDAnalysis/mdanalysis-compatible-python@main - with: - release: "latest" - main-tests: if: "github.repository == 'MDAnalysis/pathsimanalysis'" - needs: environment-config runs-on: ${{ matrix.os }} strategy: fail-fast: false matrix: os: [macOS-latest, ubuntu-latest, windows-latest] - python-version: ${{ fromJSON(needs.environment-config.outputs.python-matrix) }} + python-version: ["3.10", "3.11", "3.12"] mdanalysis-version: ["latest", "develop"] + # Manually exclude any combinations of the test matrix that can't be run + exclude: + # The latest release of MDAnalysis only supports up to Python 3.11 + # so we exclude 3.12 from the test matrix (issue #20) + - python-version: "3.12" + mdanalysis-version: "latest" steps: - uses: actions/checkout@v4 @@ -58,10 +48,9 @@ jobs: df -h ulimit -a - # More info on options: https://github.com/conda-incubator/setup-miniconda - name: Install conda dependencies - uses: conda-incubator/setup-miniconda@v2 + uses: conda-incubator/setup-miniconda@v3 with: python-version: ${{ matrix.python-version }} environment-file: devtools/conda-envs/test_env.yaml @@ -77,7 +66,6 @@ jobs: auto-activate-base: false show-channel-urls: true - - name: Install MDAnalysis version uses: MDAnalysis/install-mdanalysis@main with: @@ -100,23 +88,22 @@ jobs: conda info conda list - - name: Run tests run: | - pytest -n 2 -v --cov=pathsimanalysis --cov-report=xml --color=yes pathsimanalysis/tests/ + pytest -n auto -v --cov=pathsimanalysis --cov-report=xml --color=yes pathsimanalysis/tests/ - name: codecov if: github.repository == 'MDAnalysis/pathsimanalysis' && github.event_name != 'schedule' - uses: codecov/codecov-action@v3 + uses: codecov/codecov-action@v4 with: file: coverage.xml name: codecov-${{ matrix.os }}-py${{ matrix.python-version }} + token: ${{ secrets.CODECOV_TOKEN }} verbose: True pylint_check: if: "github.repository == 'MDAnalysis/pathsimanalysis'" - needs: environment-config runs-on: ubuntu-latest steps: @@ -125,7 +112,7 @@ jobs: - name: Set up Python uses: actions/setup-python@v4 with: - python-version: ${{ needs.environment-config.outputs.stable-python-version }} + python-version: "3.11" - name: Install Pylint run: | @@ -142,16 +129,15 @@ jobs: pypi_check: if: "github.repository == 'MDAnalysis/pathsimanalysis'" - needs: environment-config runs-on: ubuntu-latest steps: - uses: actions/checkout@v4 - - name: Set up Python ${{ needs.environment-config.outputs.stable-python-version }} + - name: Set up Python uses: actions/setup-python@v4 with: - python-version: ${{ needs.environment-config.outputs.stable-python-version }} + python-version: "3.11" - name: Install dependencies run: | diff --git a/CHANGELOG.md b/CHANGELOG.md index c0149ed..84652b7 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -16,6 +16,17 @@ The rules for this file: * accompany each entry with github issue/PR number (Issue #xyz) --> +## Unreleased + +### Authors +- IAlibay + +### Changed +- In accordance with SPEC0 the minimum Python version has been + raised to v3.10 (PR #36) +- Minimum supported MDAnalysis version has been raised to + v2.1.0 (PR #36) + ## [1.1.0] -- 2024-01-06 ### Authors diff --git a/pyproject.toml b/pyproject.toml index 3709edb..64abf24 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -22,7 +22,6 @@ classifiers = [ "License :: OSI Approved :: GNU General Public License v2 or later (GPLv2+)", "Programming Language :: C", "Programming Language :: Python", - "Programming Language :: Python :: 3.9", "Programming Language :: Python :: 3.10", "Programming Language :: Python :: 3.11", "Programming Language :: Python :: 3.12", @@ -30,9 +29,9 @@ classifiers = [ "Topic :: Software Development :: Libraries :: Python Modules", ] readme = "README.md" -requires-python = ">=3.9" +requires-python = ">=3.10" dependencies = [ - "MDAnalysis>=2.0.0", + "MDAnalysis>=2.1.0", "scipy>=1.5.0", "matplotlib>=1.5.1", "numpy>=1.22.3",