Nature Unit Tests #7388
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| # 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 |