diff --git a/.github/workflows/pytests.yml b/.github/workflows/pytests.yml index d6573ab0..8429d461 100644 --- a/.github/workflows/pytests.yml +++ b/.github/workflows/pytests.yml @@ -86,15 +86,6 @@ jobs: - name: Install Quippy from PyPI run: pip install quippy-ase - - name: Julia and ace fit - run: | - pip install pip install threadpoolctl - wget https://julialang-s3.julialang.org/bin/linux/x64/1.8/julia-1.8.1-linux-x86_64.tar.gz - tar xzf julia-1.8.1-linux-x86_64.tar.gz - # note that this hardwires a particular compatible ACE1pack version - echo 'using Pkg; pkg"registry add https://github.com/JuliaRegistries/General"; pkg"registry add https://github.com/JuliaMolSim/MolSim.git"; pkg"add ACE1pack@0.0, ACE1, JuLIP, IPFitting, ASE"' > ace1pack_install.jl - ${PWD}/julia-1.8.1/bin/julia ace1pack_install.jl - - name: MACE run: | echo "search for torch version" @@ -105,6 +96,15 @@ jobs: python3 -m pip install git+https://github.com/ACEsuit/mace.git@develop python3 -c "import mace; print(mace.__file__)" + - name: Julia and ace fit + run: | + pip install pip install threadpoolctl + wget https://julialang-s3.julialang.org/bin/linux/x64/1.8/julia-1.8.1-linux-x86_64.tar.gz + tar xzf julia-1.8.1-linux-x86_64.tar.gz + # note that this hardwires a particular compatible ACE1pack version + echo 'using Pkg; pkg"registry add https://github.com/JuliaRegistries/General"; pkg"registry add https://github.com/JuliaMolSim/MolSim.git"; pkg"add ACE1pack@0.0, ACE1, JuLIP, IPFitting, ASE"' > ace1pack_install.jl + ${PWD}/julia-1.8.1/bin/julia ace1pack_install.jl + - name: Install wfl (expyre and universalSOAP are dependencies) run: pip install .