diff --git a/.github/workflows/pytest.yaml b/.github/workflows/pytest.yaml index d83d169e..d6dcaec1 100644 --- a/.github/workflows/pytest.yaml +++ b/.github/workflows/pytest.yaml @@ -15,14 +15,16 @@ jobs: strategy: matrix: - os: ["ubuntu-latest", "windows-latest"] - py: ["3.9", "3.10", "3.11"] + # windows-latest is not supported because pyscf is not supported on windows + # https://pyscf.org/user/install.html + os: ["ubuntu-latest", "macos-latest"] + py: ["3.9", "3.10", "3.11", "3.12"] steps: - - uses: "actions/checkout@v3" + - uses: "actions/checkout@v4" - name: Setup python for test ${{ matrix.py }} - uses: actions/setup-python@v4 + uses: actions/setup-python@v5 with: python-version: ${{ matrix.py }} @@ -56,4 +58,4 @@ jobs: job-summary: true click-to-expand: true report-title: 'Dev Test Report' - pytest-args: '-m dev' \ No newline at end of file + pytest-args: '-m dev' diff --git a/.github/workflows/website.yaml b/.github/workflows/website.yaml index fb633b23..437dcf3b 100644 --- a/.github/workflows/website.yaml +++ b/.github/workflows/website.yaml @@ -3,30 +3,32 @@ name: build_website on: push: + branches: + - master + - main + # this ensures that the website is built when a PR is opened, synchronized, reopened, or closed + # and the PR is not breaking the website building process + pull_request: + types: [opened, synchronize, reopened, closed] branches: + - main - master permissions: - contents: write deployments: write pages: write jobs: - build: - runs-on: ubuntu-latest - permissions: - contents: write deployments: write pages: write steps: - - name: Checkout repository uses: actions/checkout@v4 @@ -48,8 +50,7 @@ jobs: - name: Create soft links run: | cd website - ln -s ../docs/notebooks ./examples - ln -s ../docs/notebooks/images ./examples/images + cp -lR ../docs/notebooks ./examples ln -s ../docs/source ./api cd ../ @@ -65,10 +66,10 @@ jobs: # inspired by https://github.com/orgs/community/discussions/26724 # only push to gh-pages if the master branch has been updated - name: GitHub Pages Action - # if: ${{ github.event_name == 'push' && github.ref == 'refs/heads/master' }} - uses: peaceiris/actions-gh-pages@v3 + if: ${{ github.event_name == 'push' && github.ref == 'refs/heads/master' }} + uses: peaceiris/actions-gh-pages@v4.0.0 with: github_token: ${{ secrets.GITHUB_TOKEN }} publish_dir: ./website/_build/html publish_branch: gh-pages - cname: atomdb.qcdevs.org \ No newline at end of file + cname: atomdb.qcdevs.org diff --git a/website/installation.rst b/website/installation.rst index e0996704..5dc3d7d1 100644 --- a/website/installation.rst +++ b/website/installation.rst @@ -3,6 +3,11 @@ Installation ############ +.. note:: + Because the dependency `PySCF ` + does not support Windows, `AtomDB` is not supported on Windows. But we can use + `AtomDB` with `Windows Subsystem for Linux (WSL) `_. + Downloading Code ================ @@ -136,4 +141,4 @@ formats, run, .. code-block:: bash - make \ No newline at end of file + make