Insert of coupling_rescale in wide_band_bath_discretisation.jl #236
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| name: CI | |
| on: | |
| pull_request: | |
| branches: | |
| - main | |
| push: | |
| branches: | |
| - main | |
| jobs: | |
| test: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - uses: julia-actions/setup-julia@latest | |
| - name: Install Libxc | |
| run: | | |
| wget https://github.com/JuliaBinaryWrappers/Libxc_jll.jl/releases/download/Libxc-v5.1.5%2B2/Libxc.v5.1.5.x86_64-linux-gnu-libgfortran5.tar.gz -O libxc-5.1.5.tar.gz | |
| mkdir $HOME/libxc-5.1.5 | |
| tar -xf libxc-5.1.5.tar.gz -C $HOME/libxc-5.1.5 | |
| - name: Install GPAW | |
| run: | | |
| mkdir $HOME/.gpaw | |
| touch $HOME/.gpaw/siteconfig.py | |
| echo "noblas = True; | |
| libraries = ['xc']; | |
| xc = Path.home() / 'libxc-5.1.5'; | |
| lib = xc / 'lib'; | |
| library_dirs = [lib]; | |
| include_dirs = [xc / 'include']; | |
| extra_link_args = [f'-Wl,-rpath={lib}'] | |
| " > $HOME/.gpaw/siteconfig.py | |
| python3 -m pip install gpaw | |
| gpaw install-data --register gpaw-datasets | |
| - name: Add NQCRegistry | |
| run: julia -e 'using Pkg; Pkg.Registry.add(RegistrySpec(url="https://github.com/NQCD/NQCRegistry"))' | |
| - name: Add JuliaMolSim registry | |
| run: julia -e 'using Pkg; Pkg.Registry.add(RegistrySpec(url="https://github.com/JuliaMolSim/MolSim"))' | |
| - uses: julia-actions/julia-buildpkg@v1 | |
| env: | |
| LD_LIBRARY_PATH: $HOME/libxc-5.1.5/lib | |
| PYTHONPATH: $HOME/libxc-5.1.5/lib | |
| JULIA_PYTHONCALL_EXE: "@PyCall" | |
| - uses: julia-actions/julia-runtest@v1 | |
| env: | |
| LD_LIBRARY_PATH: $HOME/libxc-5.1.5/lib | |
| PYTHONPATH: $HOME/libxc-5.1.5/lib | |
| JULIA_PYTHONCALL_EXE: "@PyCall" |