Improve parser.cl #198
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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 | |
pip install numpy mpmath pyscf | |
- name: Test for rys-roots | |
if: startsWith(matrix.os, 'ubuntu') | |
run: | | |
cd ${{ github.workspace }}/testsuite | |
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.py | |
python test_int1e_grids.py | |
python test_int2c2e.py | |
python test_int3c1e.py | |
#python test_int2e.py |