Nature Unit Tests #7389
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| # This code is part of a Qiskit project. | |
| # | |
| # (C) Copyright IBM 2021, 2024. | |
| # | |
| # This code is licensed under the Apache License, Version 2.0. You may | |
| # obtain a copy of this license in the LICENSE.txt file in the root directory | |
| # of this source tree or at http://www.apache.org/licenses/LICENSE-2.0. | |
| # | |
| # Any modifications or derivative works of this code must retain this | |
| # copyright notice, and modified files need to carry a notice indicating | |
| # that they have been altered from the originals. | |
| name: Nature Unit Tests | |
| on: | |
| push: | |
| branches: | |
| - main | |
| - 'stable/**' | |
| pull_request: | |
| branches: | |
| - main | |
| - 'stable/**' | |
| schedule: | |
| # run every day at 1AM | |
| - cron: '0 1 * * *' | |
| concurrency: | |
| group: ${{ github.repository }}-${{ github.ref }}-${{ github.head_ref }}-${{ github.workflow }} | |
| cancel-in-progress: true | |
| jobs: | |
| Checks: | |
| if: github.repository_owner == 'qiskit-community' | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| matrix: | |
| os: [ubuntu-latest] | |
| python-version: [3.8] | |
| steps: | |
| - name: Print Concurrency Group | |
| env: | |
| CONCURRENCY_GROUP: ${{ github.repository }}-${{ github.ref }}-${{ github.head_ref }}-${{ github.workflow }} | |
| run: | | |
| echo -e "\033[31;1;4mConcurrency Group\033[0m" | |
| echo -e "$CONCURRENCY_GROUP\n" | |
| shell: bash | |
| - uses: actions/checkout@v4 | |
| with: | |
| fetch-depth: 0 | |
| - uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| cache: 'pip' | |
| cache-dependency-path: | | |
| setup.py | |
| requirements.txt | |
| requirements-dev.txt | |
| - name: Create conda environment | |
| run: | | |
| source "$CONDA/etc/profile.d/conda.sh" | |
| conda create -y -n psi4env python=${{ matrix.python-version }} | |
| shell: bash | |
| - uses: ./.github/actions/install-main-dependencies | |
| with: | |
| os: ${{ matrix.os }} | |
| python-version: ${{ matrix.python-version }} | |
| use-conda: "true" | |
| qiskit-main: "false" | |
| if: ${{ !startsWith(github.ref, 'refs/heads/stable') && !startsWith(github.base_ref, 'stable/') }} | |
| - uses: ./.github/actions/install-nature | |
| with: | |
| use-conda: "true" | |
| - name: Install Dependencies | |
| run: | | |
| source "$CONDA/etc/profile.d/conda.sh" | |
| conda activate psi4env | |
| sudo apt-get install -y pandoc | |
| sudo apt-get -y install python3-enchant | |
| sudo apt-get -y install hunspell-en-us | |
| pip install pyenchant | |
| # append to reno config | |
| echo "earliest_version: 0.1.0" >> releasenotes/config.yaml | |
| # disable a PySCF UserWarning w.r.t. a change in the B3LYP DFT functional | |
| echo "B3LYP_WITH_VWN5 = True" >> ~/.pyscf_conf.py | |
| shell: bash | |
| - name: Set up problem matches | |
| run: | | |
| echo "::add-matcher::./.github/problem_matchers/copyright.json" | |
| echo "::add-matcher::./.github/problem_matchers/spell.json" | |
| echo "::add-matcher::./.github/problem_matchers/black.json" | |
| - name: PIP Check | |
| run: | | |
| source "$CONDA/etc/profile.d/conda.sh" | |
| conda activate psi4env | |
| pip check | |
| if: ${{ !cancelled() }} | |
| shell: bash | |
| - name: Copyright Check | |
| run: | | |
| source "$CONDA/etc/profile.d/conda.sh" | |
| conda activate psi4env | |
| python tools/check_copyright.py -check | |
| if: ${{ !cancelled() }} | |
| shell: bash | |
| - name: Spell Check | |
| run: | | |
| source "$CONDA/etc/profile.d/conda.sh" | |
| conda activate psi4env | |
| make spell | |
| if: ${{ !cancelled() }} | |
| shell: bash | |
| - name: Style Check | |
| run: | | |
| source "$CONDA/etc/profile.d/conda.sh" | |
| conda activate psi4env | |
| make clean_sphinx | |
| make style | |
| if: ${{ !cancelled() }} | |
| shell: bash | |
| - name: Run make html | |
| run: | | |
| source "$CONDA/etc/profile.d/conda.sh" | |
| conda activate psi4env | |
| make clean_sphinx | |
| make html | |
| cd docs/_build/html | |
| mkdir artifacts | |
| tar -zcvf artifacts/documentation.tar.gz --exclude=./artifacts . | |
| if: ${{ !cancelled() }} | |
| shell: bash | |
| - name: Run upload documentation | |
| uses: actions/upload-artifact@v4 | |
| with: | |
| name: documentation | |
| path: docs/_build/html/artifacts/documentation.tar.gz | |
| if: ${{ !cancelled() }} | |
| - name: Doctest | |
| run: | | |
| source "$CONDA/etc/profile.d/conda.sh" | |
| conda activate psi4env | |
| make doctest | |
| if: ${{ !cancelled() }} | |
| shell: bash | |
| Nature: | |
| if: github.repository_owner == 'qiskit-community' | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [ubuntu-latest] | |
| python-version: [3.8, 3.9, '3.10', 3.11, 3.12] | |
| include: | |
| - os: macos-latest | |
| python-version: 3.8 | |
| - os: macos-latest | |
| python-version: 3.12 | |
| - os: windows-latest | |
| python-version: 3.8 | |
| - os: windows-latest | |
| python-version: 3.12 | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| cache: 'pip' | |
| cache-dependency-path: | | |
| setup.py | |
| requirements.txt | |
| requirements-dev.txt | |
| - name: Create conda environment | |
| run: | | |
| if [ "${{ matrix.os }}" == "macos-latest" ]; then | |
| sudo chown -R $USER: "$CONDA" | |
| fi | |
| source "$CONDA/etc/profile.d/conda.sh" | |
| if [ "${{ matrix.python-version }}" >= "3.11" ]; then | |
| conda create -y -n psi4env python=${{ matrix.python-version }} -c conda-forge | |
| else | |
| conda create -y -n psi4env python=${{ matrix.python-version }} | |
| fi | |
| shell: bash | |
| - name: Install PSI4 | |
| uses: ./.github/actions/install-psi4 | |
| with: | |
| os: ${{ matrix.os }} | |
| python-version: ${{ matrix.python-version }} | |
| - uses: ./.github/actions/install-main-dependencies | |
| with: | |
| os: ${{ matrix.os }} | |
| python-version: ${{ matrix.python-version }} | |
| use-conda: "true" | |
| if: ${{ !startsWith(github.ref, 'refs/heads/stable') && !startsWith(github.base_ref, 'stable/') }} | |
| - uses: ./.github/actions/install-nature | |
| with: | |
| use-conda: "true" | |
| - name: Set up problem matches | |
| run: | | |
| echo "::add-matcher::./.github/problem_matchers/pylint.json" | |
| echo "::add-matcher::./.github/problem_matchers/mypy.json" | |
| if: ${{ matrix.os == 'ubuntu-latest' && matrix.python-version == 3.8 }} | |
| - name: Run lint | |
| run: | | |
| source "$CONDA/etc/profile.d/conda.sh" | |
| conda activate psi4env | |
| make lint | |
| shell: bash | |
| - name: Run mypy | |
| run: | | |
| source "$CONDA/etc/profile.d/conda.sh" | |
| conda activate psi4env | |
| make mypy | |
| if: ${{ !cancelled() }} | |
| shell: bash | |
| - name: Stestr Cache | |
| uses: actions/cache@v4 | |
| with: | |
| path: | | |
| .stestr | |
| .stestr1 | |
| key: stestr-${{ matrix.os }}-${{ matrix.python-version }}-${{ github.run_id }}-${{ github.run_number }}-${{ github.run_attempt }} | |
| restore-keys: | | |
| stestr-${{ matrix.os }}-${{ matrix.python-version }}- | |
| stestr-${{ matrix.os }}- | |
| if: ${{ !cancelled() }} | |
| - name: Nature Unit Tests under Python ${{ matrix.python-version }} | |
| uses: ./.github/actions/run-tests | |
| with: | |
| os: ${{ matrix.os }} | |
| event-name: ${{ github.event_name }} | |
| run-slow: ${{ contains(github.event.pull_request.labels.*.name, 'run_slow') }} | |
| python-version: ${{ matrix.python-version }} | |
| if: ${{ !cancelled() }} | |
| - name: Deprecation Messages | |
| run: | | |
| source "$CONDA/etc/profile.d/conda.sh" | |
| conda activate psi4env | |
| mkdir ./ci-artifact-data | |
| python tools/extract_deprecation.py -file out.txt -output ./ci-artifact-data/nat.dep | |
| shell: bash | |
| - name: Coverage combine | |
| run: | | |
| source "$CONDA/etc/profile.d/conda.sh" | |
| conda activate psi4env | |
| coverage3 combine | |
| mv .coverage ./ci-artifact-data/nat.dat | |
| if: ${{ matrix.os == 'ubuntu-latest' && matrix.python-version == 3.8 }} | |
| shell: bash | |
| - uses: actions/upload-artifact@v4 | |
| with: | |
| name: ${{ matrix.os }}-${{ matrix.python-version }} | |
| path: ./ci-artifact-data/* | |
| - name: Nature Unit Tests without matplotlib/pyscf/psi4/sparse/opt_einsum under Python ${{ matrix.python-version }} | |
| env: | |
| PYTHONWARNINGS: default | |
| run: | | |
| source "$CONDA/etc/profile.d/conda.sh" | |
| conda activate psi4env | |
| pip uninstall -y matplotlib pyscf sparse opt_einsum | |
| echo 'Uninstall psi4' | |
| conda remove -y --force psi4 | |
| if [ "${{ github.event_name }}" == "schedule" ] || [ "${{ contains(github.event.pull_request.labels.*.name, 'run_slow') }}" == "true" ]; then | |
| export QISKIT_TESTS="run_slow" | |
| fi | |
| mkdir -p ./.stestr1 | |
| stestr --test-path test --repo-url .stestr1 run | |
| if: ${{ !cancelled() }} | |
| shell: bash | |
| Tutorials: | |
| if: github.repository_owner == 'qiskit-community' | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [ubuntu-latest] | |
| python-version: [3.8, 3.12] | |
| steps: | |
| - uses: actions/checkout@v4 | |
| with: | |
| fetch-depth: 0 | |
| - uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| cache: 'pip' | |
| cache-dependency-path: | | |
| setup.py | |
| requirements.txt | |
| requirements-dev.txt | |
| - uses: ./.github/actions/install-main-dependencies | |
| with: | |
| os: ${{ matrix.os }} | |
| python-version: ${{ matrix.python-version }} | |
| use-conda: "false" | |
| if: ${{ !startsWith(github.ref, 'refs/heads/stable') && !startsWith(github.base_ref, 'stable/') }} | |
| - uses: ./.github/actions/install-nature | |
| with: | |
| use-conda: "false" | |
| - name: Install Dependencies | |
| run: | | |
| pip install jupyter | |
| sudo apt-get install -y pandoc | |
| echo "earliest_version: 0.1.0" >> releasenotes/config.yaml | |
| # disable a PySCF UserWarning w.r.t. a change in the B3LYP DFT functional | |
| echo "B3LYP_WITH_VWN5 = True" >> ~/.pyscf_conf.py | |
| shell: bash | |
| - name: Run Qiskit Nature Tutorials | |
| env: | |
| QISKIT_PARALLEL: False | |
| QISKIT_DOCS_BUILD_TUTORIALS: 'always' | |
| run: | | |
| make html | |
| cd docs/_build/html | |
| mkdir artifacts | |
| tar -zcvf artifacts/tutorials.tar.gz --exclude=./artifacts . | |
| shell: bash | |
| - name: Run upload tutorials | |
| uses: actions/upload-artifact@v4 | |
| with: | |
| name: tutorials${{ matrix.python-version }} | |
| path: docs/_build/html/artifacts/tutorials.tar.gz | |
| - name: Run stable tutorials | |
| env: | |
| QISKIT_PARALLEL: False | |
| QISKIT_DOCS_BUILD_TUTORIALS: 'always' | |
| run: | | |
| # clean last sphinx output | |
| make clean_sphinx | |
| # get current version | |
| version=$(pip show qiskit-nature | awk -F. '/^Version:/ { print substr($1,10), $2-1 }' OFS=.) | |
| # download stable version | |
| wget https://codeload.github.com/qiskit-community/qiskit-nature/zip/stable/$version -O /tmp/repo.zip | |
| unzip /tmp/repo.zip -d /tmp/ | |
| # copy stable tutorials to main tutorials | |
| cp -R /tmp/qiskit-nature-stable-$version/docs/tutorials/* docs/tutorials | |
| # run tutorials and zip results | |
| echo "earliest_version: 0.1.0" >> releasenotes/config.yaml | |
| # ignore unreleased/untagged notes | |
| tools/ignore_untagged_notes.sh | |
| make html | |
| cd docs/_build/html | |
| mkdir artifacts | |
| tar -zcvf artifacts/tutorials.tar.gz --exclude=./artifacts . | |
| if: ${{ matrix.python-version == 3.8 && !startsWith(github.ref, 'refs/heads/stable') && !startsWith(github.base_ref, 'stable/') }} | |
| shell: bash | |
| - name: Run upload stable tutorials | |
| uses: actions/upload-artifact@v4 | |
| with: | |
| name: tutorials-stable${{ matrix.python-version }} | |
| path: docs/_build/html/artifacts/tutorials.tar.gz | |
| if: ${{ matrix.python-version == 3.8 && !startsWith(github.ref, 'refs/heads/stable') && !startsWith(github.base_ref, 'stable/') }} | |
| Deprecation_Messages_and_Coverage: | |
| if: github.repository_owner == 'qiskit-community' | |
| needs: [Checks, Nature, Tutorials] | |
| runs-on: ubuntu-latest | |
| strategy: | |
| matrix: | |
| python-version: [3.8] | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - uses: actions/download-artifact@v4 | |
| with: | |
| name: ubuntu-latest-3.8 | |
| path: /tmp/u38 | |
| - uses: actions/download-artifact@v4 | |
| with: | |
| name: ubuntu-latest-3.9 | |
| path: /tmp/u39 | |
| - uses: actions/download-artifact@v4 | |
| with: | |
| name: ubuntu-latest-3.10 | |
| path: /tmp/u310 | |
| - uses: actions/download-artifact@v4 | |
| with: | |
| name: ubuntu-latest-3.11 | |
| path: /tmp/u311 | |
| - uses: actions/download-artifact@v4 | |
| with: | |
| name: ubuntu-latest-3.12 | |
| path: /tmp/u312 | |
| - uses: actions/download-artifact@v4 | |
| with: | |
| name: macos-latest-3.8 | |
| path: /tmp/m38 | |
| - uses: actions/download-artifact@v4 | |
| with: | |
| name: macos-latest-3.12 | |
| path: /tmp/m312 | |
| - uses: actions/download-artifact@v4 | |
| with: | |
| name: windows-latest-3.8 | |
| path: /tmp/w38 | |
| - uses: actions/download-artifact@v4 | |
| with: | |
| name: windows-latest-3.12 | |
| path: /tmp/w312 | |
| - name: Install Dependencies | |
| run: pip install -U coverage coveralls diff-cover | |
| shell: bash | |
| - name: Combined Deprecation Messages | |
| run: | | |
| sort -f -u /tmp/u38/nat.dep /tmp/u39/nat.dep /tmp/u310/nat.dep /tmp/u311/nat.dep /tmp/u312/nat.dep /tmp/m38/nat.dep /tmp/m312/nat.dep /tmp/w38/nat.dep /tmp/w312/nat.dep || true | |
| shell: bash | |
| - name: Coverage combine | |
| run: coverage3 combine /tmp/u38/nat.dat | |
| shell: bash | |
| - name: Upload to Coveralls | |
| env: | |
| GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} | |
| run: coveralls --service=github | |
| shell: bash |