Print full list of vibrational states #634
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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: Cache mopac | |
| id: cache-mopac | |
| uses: actions/cache@v4 | |
| with: | |
| path: | | |
| mopac/build/mopac | |
| mopac/build/libmopac.so.1 | |
| key: ${{ runner.os }}-build-mopac | |
| - name: install mopac | |
| if: steps.cache-mopac.outputs.cache-hit != 'true' | |
| run: | | |
| sudo apt install -y python3 python3-numpy | |
| git clone https://github.com/openmopac/mopac.git | |
| cd mopac | |
| mkdir build | |
| cd build | |
| cmake .. | |
| make | |
| - name: copy over mopac | |
| run: | | |
| mkdir -p /opt/mopac | |
| cp mopac/build/mopac mopac/build/libmopac.so.1 /opt/mopac/. | |
| # https://twitter.com/jonhoo/status/1571290371124260865 | |
| - name: cargo test --locked | |
| run: cargo test --locked --all-features --all-targets -- --include-ignored --test-threads=1 --nocapture |