Print full list of vibrational states #642
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| permissions: | |
| contents: read | |
| on: | |
| push: | |
| branches: [master] | |
| pull_request: | |
| name: test | |
| jobs: | |
| required: | |
| runs-on: ubuntu-latest | |
| name: ubuntu / ${{ matrix.toolchain }} | |
| strategy: | |
| matrix: | |
| toolchain: [nightly] | |
| steps: | |
| - uses: actions/checkout@v4 | |
| with: | |
| submodules: true | |
| - name: Install ${{ matrix.toolchain }} | |
| uses: dtolnay/rust-toolchain@master | |
| with: | |
| toolchain: ${{ matrix.toolchain }} | |
| - name: cargo generate-lockfile | |
| if: hashFiles('Cargo.lock') == '' | |
| run: cargo generate-lockfile | |
| - name: install mopac | |
| run: | | |
| set -xe | |
| curl -OL https://github.com/openmopac/mopac/releases/download/v23.0.2/mopac-23.0.2-linux.tar.gz | |
| gunzip mopac-23.0.2-linux.tar.gz | |
| tar xf mopac-23.0.2-linux.tar | |
| mkdir -p /opt/mopac | |
| cp mopac-23.0.2-linux/bin/mopac /opt/mopac/. | |
| cp mopac-23.0.2-linux/lib/*.so* /opt/mopac/. | |
| ls /opt/mopac | |
| ldd /opt/mopac/mopac | |
| - name: cargo test --locked | |
| run: cargo test --locked --all-features --all-targets -- --include-ignored --nocapture |