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ci.yml
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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