Enable GHA #89
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| name: Python Package using Conda | |
| on: [push, pull_request] | |
| jobs: | |
| build-linux: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| max-parallel: 5 | |
| defaults: | |
| run: | |
| shell: bash -el {0} | |
| steps: | |
| - name: Checkout code | |
| uses: actions/checkout@v3 | |
| with: | |
| submodules: 'true' | |
| - name: Setup Conda | |
| uses: conda-incubator/setup-miniconda@v3 | |
| with: | |
| activate-environment: forte | |
| environment-file: environment.yml | |
| show-channel-urls: true | |
| python-version: '3.10' | |
| auto-activate-base: false | |
| miniforge-variant: Mambaforge | |
| use-mamba: true | |
| add-pip-as-python-dependency: true | |
| channels: conda-forge | |
| - name: Install ambit | |
| run: | | |
| conda info | |
| conda list | |
| cd $HOME | |
| git clone https://github.com/jturney/ambit.git | |
| cd ambit | |
| cmake -H. -Bobjdir -DCMAKE_BUILD_TYPE=Release -DCMAKE_INSTALL_PREFIX=$HOME/bin/ambit | |
| cd objdir | |
| make -j2 | |
| make install | |
| - name: Compile psi4 | |
| run: | | |
| # export LD_LIBRARY_PATH=/home/runner/miniconda3/envs/forte/x86_64-conda-linux-gnu/lib:$LD_LIBRARY_PATH | |
| cd $HOME | |
| git clone https://github.com/psi4/psi4.git | |
| cd psi4 | |
| git pull origin master --tags | |
| git fetch origin "refs/tags/*:refs/tags/*" | |
| cmake -H. -Bobjdir -DCMAKE_BUILD_TYPE=Debug -DCMAKE_INSTALL_PREFIX=$HOME/psi4bin -DENABLE_ecpint=ON | |
| cd objdir | |
| make -j2 | |
| # make install | |
| - name: Compile forte | |
| run: | | |
| export PYTHONPATH=$PYTHONPATH:$HOME/psi4/objdir/stage/lib | |
| export AMBITPATH=$HOME/bin/ambit | |
| export PATH=$PATH:$HOME/psi4/objdir/stage/bin | |
| cd $HOME/work/forte/forte | |
| python setup.py develop | |
| pip list | |
| # cmake_psi4=$(psi4 --plugin-compile) | |
| # $cmake_psi4 --debug-output \ | |
| # -Dambit_DIR=$HOME/bin/ambit/share/cmake/ambit/ \ | |
| # -DENABLE_ForteTests=TRUE \ | |
| # make -j2 | |
| - name: Run forte tests | |
| run: | | |
| export PYTHONPATH=$PYTHONPATH:$HOME/psi4/objdir/stage/lib | |
| export PATH=$PATH:$HOME/psi4/objdir/stage/bin | |
| cd $HOME/work/forte/forte/tests/methods | |
| python run_forte_tests.py --failed_dump --bw |