diff --git a/.github/workflows/continuous_integration.yml b/.github/workflows/continuous_integration.yml index 1529d1d..8d74da6 100644 --- a/.github/workflows/continuous_integration.yml +++ b/.github/workflows/continuous_integration.yml @@ -74,17 +74,4 @@ jobs: - name: Environment Information run: | mamba info - mamba list --show-channel-urls - - - name: Build Documentation - run: | - python -m pip install . --no-deps - cd docs - make html - - - name: GitHub Pages Deploy - uses: JamesIves/github-pages-deploy-action@4.1.1 - if: github.event_name == 'push' && github.repository == 'CCQC/PES-Learn' && ( startsWith( github.ref, 'refs/tags/' ) || github.ref == 'refs/heads/master' ) - with: - branch: gh-pages - folder: docs/build/html \ No newline at end of file + mamba list --show-channel-urls \ No newline at end of file diff --git a/.github/workflows/docs.yml b/.github/workflows/docs.yml new file mode 100644 index 0000000..4315282 --- /dev/null +++ b/.github/workflows/docs.yml @@ -0,0 +1,48 @@ +name: Documentation + +on: + push: + branches: + - master + pull_request: + branches: + - master + +jobs: + # Build job + build: + defaults: + run: + shell: bash -el {0} + runs-on: ubuntu-latest + steps: + - name: Checkout + uses: actions/checkout@v3 + + - name: Create Environment + uses: conda-incubator/setup-miniconda@v2 + with: + activate-environment: docs-env + environment-file: docs/requirements.yml + python-version: ${{ matrix.cfg.python-version }} + miniforge-variant: Mambaforge + use-mamba: true + add-pip-as-python-dependency: true + channels: conda-forge + + - name: Conda Environment + run: | + mamba info + mamba list + + - name: Build Documentation + run: | + cd docs + make html + + - name: GitHub Pages Deploy + uses: JamesIves/github-pages-deploy-action@v4.4.3 + if: github.event_name == 'push' && github.repository == 'CCQC/PES-Learn' && ( startsWith( github.ref, 'refs/tags/' ) || github.ref == 'refs/heads/master' ) + with: + branch: gh-pages + folder: docs/build/html \ No newline at end of file diff --git a/docs/requirements.yml b/docs/requirements.yml index f32fdbb..0846dcd 100644 --- a/docs/requirements.yml +++ b/docs/requirements.yml @@ -22,7 +22,7 @@ dependencies: - pandas >=0.24 - hyperopt >=0.1.1 - cclib >=1.6 - - torch >=1.0.1 + - pytorch >=1.0.1 - joblib >=1.3.0 - qcelemental >=0.27.1 - qcengine >=0.26.0 \ No newline at end of file