Create Boltzmann velocity distributions from Simulations directly
#857
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| name: CI | |
| on: | |
| pull_request: | |
| push: | |
| branches: | |
| - main | |
| jobs: | |
| test: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| matrix: | |
| group: | |
| - Core | |
| - Analysis | |
| - InitialConditions | |
| - dynamics_classical | |
| - dynamics_mdef | |
| - dynamics_surface_hopping | |
| - dynamics_cme | |
| - dynamics_mapping | |
| - dynamics_ehrenfest | |
| - dynamics_ensembles | |
| fail-fast: false | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - uses: julia-actions/setup-julia@latest | |
| - uses: actions/cache@v3 | |
| env: | |
| cache-name: cache-artifacts | |
| with: | |
| path: ~/.julia/artifacts | |
| key: ${{ runner.os }}-test-${{ env.cache-name }}-${{ hashFiles('**/Project.toml') }} | |
| restore-keys: | | |
| ${{ runner.os }}-test-${{ env.cache-name }}- | |
| ${{ runner.os }}-test- | |
| - name: Add NQCRegistry | |
| run: julia -e 'using Pkg; Pkg.Registry.add(RegistrySpec(url="https://github.com/NQCD/NQCRegistry"))' | |
| shell: bash | |
| - name: Add JuliaMolSim registry | |
| run: julia -e 'using Pkg; Pkg.Registry.add(RegistrySpec(url="https://github.com/JuliaMolSim/MolSim"))' | |
| shell: bash | |
| - name: Add ACEregistry | |
| run: julia -e 'using Pkg; Pkg.Registry.add(RegistrySpec(url="https://github.com/ACEsuit/ACEregistry"))' | |
| shell: bash | |
| - name: Install ase for IO tests | |
| run: pip3 install ase | |
| - uses: julia-actions/julia-buildpkg@v1 | |
| - uses: julia-actions/julia-runtest@v1 | |
| env: | |
| GROUP: ${{ matrix.group }} | |
| - uses: julia-actions/julia-processcoverage@v1 | |
| - uses: codecov/codecov-action@v3 | |
| with: | |
| file: lcov.info |