update for CellListMap v0.10.2 interface #175
Workflow file for this run
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| name: CI | |
| on: | |
| - push | |
| - pull_request | |
| concurrency: | |
| group: ${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }} | |
| cancel-in-progress: true | |
| jobs: | |
| test: | |
| name: Julia ${{ matrix.version }} - ${{ matrix.os }} - ${{ matrix.arch }} - ${{ github.event_name }} | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| version: | |
| - 'lts' | |
| - 'pre' | |
| os: | |
| - ubuntu-latest | |
| - macOS-latest | |
| - windows-latest | |
| steps: | |
| - uses: actions/checkout@v6 | |
| - uses: julia-actions/setup-julia@v3 | |
| with: | |
| version: ${{ matrix.version }} | |
| - uses: julia-actions/cache@v2 | |
| - uses: julia-actions/julia-buildpkg@latest | |
| - uses: julia-actions/julia-runtest@latest | |
| - name: install and run packmol app (unix) | |
| if: runner.os != 'Windows' && matrix.version == 'pre' | |
| shell: bash | |
| run: | | |
| echo "Testing packmol APP ... " | |
| julia -e 'import Pkg; Pkg.Apps.develop(path=".")' | |
| juliabin=`julia -e 'print(joinpath(Base.DEPOT_PATH[1],"bin"))'` | |
| echo "julia binary path: $juliabin" | |
| cd ./test/run_packmol | |
| $juliabin/packmol -i water_box.inp | |
| julia -e 'using Test; @test isfile("water_box.pdb")' | |
| echo "Testing packmol APP ... ok" | |
| - name: install and run packmol app (windows) | |
| if: runner.os == 'Windows' && matrix.version == 'pre' | |
| shell: pwsh | |
| run: | | |
| Write-Host "Testing packmol APP ... " | |
| julia -e 'import Pkg; Pkg.Apps.develop(path=".")' | |
| $juliabin = julia -e 'print(joinpath(Base.DEPOT_PATH[1],"bin"))' | |
| Write-Host "julia binary path: ${juliabin}" | |
| cd .\test\run_packmol | |
| & "$juliabin\packmol" -i water_box.inp | |
| julia -e 'using Test; @test isfile("water_box.pdb")' | |
| Write-Host "Testing packmol APP ... ok" | |
| docs: | |
| name: Documentation | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - uses: julia-actions/setup-julia@v3 | |
| with: | |
| version: '1' | |
| - run: | | |
| julia --project=docs -e ' | |
| import Pkg; Pkg.add("Documenter") | |
| using Pkg | |
| Pkg.develop(PackageSpec(path=pwd())) | |
| Pkg.instantiate()' | |
| - run: | | |
| julia --project=docs -e ' | |
| import Pkg; Pkg.add("Documenter") | |
| using Documenter: doctest | |
| using Packmol | |
| doctest(Packmol)' | |
| - run: julia --project=docs docs/make.jl | |
| env: | |
| GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} | |
| DOCUMENTER_KEY: ${{ secrets.DOCUMENTER_KEY }} | |