Replace parse_electrons_energies & parsefinal with eachconvergedenergy & eachcellparameterscard or eachatomicpositionscard
#267
Workflow file for this run
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| name: CI | |
| on: | |
| push: | |
| branches: | |
| - main | |
| tags: ['*'] | |
| pull_request: | |
| concurrency: | |
| # Skip intermediate builds: always. | |
| # Cancel intermediate builds: only if it is a pull request build. | |
| group: ${{ github.workflow }}-${{ github.ref }} | |
| cancel-in-progress: ${{ startsWith(github.ref, 'refs/pull/') }} | |
| jobs: | |
| test: | |
| name: Julia ${{ matrix.version }} - ${{ matrix.os }} - ${{ matrix.arch }} - ${{ github.event_name }} | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| version: | |
| # - '1.0' | |
| - '1.3' | |
| - '1.6' | |
| - '1.7' | |
| - '1.8' | |
| - 'nightly' | |
| os: | |
| - ubuntu-latest | |
| - macOS-latest | |
| - windows-latest | |
| arch: | |
| - x64 | |
| - x86 | |
| exclude: | |
| - os: macOS-latest | |
| arch: x86 | |
| - os: windows-latest | |
| arch: x86 | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - uses: actions/setup-python@v4 | |
| with: | |
| python-version: '3.8' | |
| architecture: ${{ matrix.arch }} | |
| - uses: julia-actions/setup-julia@v1 | |
| with: | |
| version: ${{ matrix.version }} | |
| arch: ${{ matrix.arch }} | |
| - uses: julia-actions/cache@v1 | |
| - uses: julia-actions/julia-buildpkg@v1 | |
| - uses: julia-actions/julia-runtest@v1 | |
| - uses: julia-actions/julia-processcoverage@v1 | |
| - uses: codecov/codecov-action@v4 | |
| with: | |
| files: lcov.info | |
| docs: | |
| name: Documentation | |
| runs-on: ubuntu-latest | |
| permissions: | |
| contents: write | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - uses: julia-actions/setup-julia@v1 | |
| with: | |
| version: '1' | |
| - uses: julia-actions/julia-buildpkg@v1 | |
| env: | |
| PYTHON: "" | |
| - uses: julia-actions/julia-docdeploy@v1 | |
| env: | |
| GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} | |
| - run: | | |
| julia --project=docs -e ' | |
| using Documenter: DocMeta, doctest | |
| using QuantumESPRESSOExpress | |
| DocMeta.setdocmeta!(QuantumESPRESSOExpress, :DocTestSetup, :(using QuantumESPRESSOExpress); recursive=true) | |
| doctest(QuantumESPRESSOExpress)' |