C interface for density matrix, including sp2 #552
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| --- | |
| name: CI | |
| on: | |
| release: | |
| type: | |
| - created | |
| push: | |
| branches: | |
| - master | |
| pull_request: | |
| branches: | |
| - master | |
| repository_dispatch: | |
| types: | |
| - bml_update | |
| schedule: | |
| # Weekly on Sundays: | |
| - cron: '00 04 * * 0' | |
| workflow_dispatch: | |
| env: | |
| TEST_SETTINGS: "" | |
| jobs: | |
| lint: | |
| name: Lint sources | |
| runs-on: ubuntu-20.04 | |
| steps: | |
| - name: Check out sources | |
| uses: actions/checkout@v3 | |
| - name: Prepare container | |
| run: ./scripts/prepare-container-focal.sh | |
| - run: bundle install | |
| - run: bundle exec danger || true | |
| - run: BML_OPENMP=no EMACS=emacs27 ./build.sh check_indent | |
| build: | |
| name: Build and test (${{ matrix.JOBNAME }}) | |
| runs-on: ubuntu-20.04 | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| include: | |
| - JOBNAME: with graphlib, debug, gcc-9 | |
| COMPILER_VERSION: 9 | |
| TEST_SETTINGS: ./scripts/ci-with-graphlib-debug.sh | |
| - JOBNAME: without graphlib, debug, gcc-9 | |
| COMPILER_VERSION: 9 | |
| TEST_SETTINGS: ./scripts/ci-without-graphlib-debug.sh | |
| - JOBNAME: with graphlib, debug, gcc-10 | |
| COMPILER_VERSION: 10 | |
| TEST_SETTINGS: ./scripts/ci-with-graphlib-debug.sh | |
| - JOBNAME: without graphlib, debug, gcc-10 | |
| COMPILER_VERSION: 10 | |
| TEST_SETTINGS: ./scripts/ci-without-graphlib-debug.sh | |
| - JOBNAME: with graphlib, release, gcc-9 | |
| COMPILER_VERSION: 9 | |
| TEST_SETTINGS: ./scripts/ci-with-graphlib-release.sh | |
| - JOBNAME: without graphlib, release, gcc-9 | |
| COMPILER_VERSION: 9 | |
| TEST_SETTINGS: ./scripts/ci-without-graphlib-release.sh | |
| - JOBNAME: with graphlib, release, gcc-10 | |
| COMPILER_VERSION: 10 | |
| TEST_SETTINGS: ./scripts/ci-with-graphlib-release.sh | |
| - JOBNAME: without graphlib, release, gcc-10 | |
| COMPILER_VERSION: 10 | |
| TEST_SETTINGS: ./scripts/ci-without-graphlib-release.sh | |
| steps: | |
| - name: Check out sources | |
| uses: actions/checkout@v3 | |
| - run: ./scripts/prepare-container-focal.sh | |
| - name: Install bml master | |
| env: | |
| TEST_SETTINGS: ${{ matrix.TEST_SETTINGS || env.TEST_SETTINGS }} | |
| COMPILER_VERSION: ${{ matrix.COMPILER_VERSION || env.COMPILER_VERSION }} | |
| run: ./scripts/install-bml.sh | |
| - name: Build and test library | |
| env: | |
| TEST_SETTINGS: ${{ matrix.TEST_SETTINGS || env.TEST_SETTINGS }} | |
| COMPILER_VERSION: ${{ matrix.COMPILER_VERSION || env.COMPILER_VERSION }} | |
| run: | | |
| [[ -f ${TEST_SETTINGS} ]] && source ${TEST_SETTINGS} | |
| if [[ -v COMPILER_VERSION && -n ${COMPILER_VERSION} ]]; then | |
| export CC=gcc-${COMPILER_VERSION} | |
| export CXX=g++-${COMPILER_VERSION} | |
| export FC=gfortran-${COMPILER_VERSION} | |
| fi | |
| ./build.sh ${COMMAND} | |
| - name: Run gpmd example | |
| run: | | |
| pushd examples/gpmd | |
| ./run_test.sh | |
| popd | |
| - name: Run gpmdcov example | |
| run: | | |
| pushd examples/gpmdcov | |
| OMP_NUM_THREADS=2 ./run.sh 2 | |
| popd | |
| - name: Archive example output | |
| uses: actions/upload-artifact@v3 | |
| with: | |
| name: example output ${{ matrix.JOBNAME }} | |
| path: | | |
| examples/gpmdcov/out |