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attempt to actually install environment packages #28

attempt to actually install environment packages

attempt to actually install environment packages #28

Workflow file for this run

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