attempt to actually install environment packages #28
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name: FragIt Tests | |
on: [push] | |
jobs: | |
build: | |
runs-on: ubuntu-latest | |
strategy: | |
matrix: | |
python-version: ["3.9", "3.10", "3.11"] | |
steps: | |
- uses: actions/checkout@v4 | |
- name: Set up Python ${{ matrix.python-version }} | |
uses: actions/setup-python@v4 | |
with: | |
python-version: ${{ matrix.python-version }} | |
- name: Python Dependencies | |
run: pip install -U pytest numpy | |
- name: OpenBabel Dependencies | |
run: sudo apt-get install -y ninja-build swig libeigen3-dev libboost-all-dev | |
- name: OpenBabel Configure | |
run: | | |
git clone https://github.com/openbabel/openbabel.git openbabel_source | |
mkdir openbabel_build | |
cd openbabel_build | |
cmake -DCMAKE_CXX_FLAGS="-march=native -mno-avx" -DRUN_SWIG=ON -DPYTHON_BINDINGS=ON -DPYTHON_INSTDIR=$Python_ROOT_DIR/lib/python${{ matrix.python-version }}/site-packages ../openbabel_source | |
- name: OpenBabel Build | |
run: | | |
cd openbabel_build | |
make | |
- name: OpenBabel Install | |
run: | | |
cd openbabel_build | |
sudo make install | |
# You can test your matrix by printing the current Python version | |
- name: Display Python version | |
run: python -m pytest tests/*.py | |