Release v5.5.0 #177
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| name: cint pipeline | |
| on: | |
| - push | |
| jobs: | |
| build: | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| matrix: | |
| os: [macos-latest, ubuntu-20.04] | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Set up Python 3.7 | |
| uses: actions/setup-python@v2 | |
| with: | |
| python-version: 3.7 | |
| - name: Compile | |
| run: | | |
| env | |
| cmake -DWITH_CINT2_INTERFACE=1 -DWITH_RANGE_COULOMB=1 -DWITH_COULOMB_ERF=1 -DWITH_F12=1 -DWITH_4C1E=1 -Bbuild -DKEEP_GOING=1 . | |
| cmake --build build | |
| - name: Test for rys-roots | |
| if: startsWith(matrix.os, 'ubuntu') | |
| run: | | |
| cd ${{ github.workspace }}/testsuite | |
| pip install numpy mpmath | |
| python test_rys_roots.py | |
| - name: Unittest | |
| if: startsWith(matrix.os, 'ubuntu') | |
| run: | | |
| cd ${{ github.workspace }}/testsuite | |
| python test_cint.py --quick | |
| python test_3c2e.py --quick | |
| python test_cart2sph.py | |
| python test_c2s.py | |
| python test_cint4c1e.py | |
| python test_int1e_grids.py |