diff --git a/.github/workflows/pyci.yml b/.github/workflows/pyci.yml index 884f284..e7b7d54 100644 --- a/.github/workflows/pyci.yml +++ b/.github/workflows/pyci.yml @@ -19,22 +19,23 @@ jobs: steps: - uses: actions/checkout@v3 - - name: Install Conda (if macOS) + - name: Install dependencies (macOS) if: runner.os == 'macOS' - shell: bash run: | - mkdir -p ~/miniconda3 - curl https://repo.anaconda.com/miniconda/Miniconda3-latest-MacOSX-arm64.sh -o ~/miniconda3/miniconda.sh - bash ~/miniconda3/miniconda.sh -b -u -p ~/miniconda3 - rm ~/miniconda3/miniconda.sh - echo "CONDA_BASE=$HOME/miniconda3" >> $GITHUB_ENV - echo "CONDA_BIN_DIR=$CONDA_BASE/bin" >> $GITHUB_ENV - echo "$CONDA_BIN_DIR" >> $GITHUB_PATH + brew install gfortran openblas eigen - # Activate base conda environment (Corrected path with 'source') - source $CONDA_BIN_DIR/activate base + - name: Install xtb + run: | + git clone https://github.com/grimme-lab/xtb.git + cd xtb + mkdir build + cd build + cmake -DWITH_PYTHON=ON .. + make -j 2 + make install - name: Setup conda + if: runner.os == 'Linux' uses: s-weigand/setup-conda@v1 with: update-conda: true