diff --git a/.github/workflows/cont_int.yml b/.github/workflows/cont_int.yml index 20d57c6f82..1279b7c46f 100644 --- a/.github/workflows/cont_int.yml +++ b/.github/workflows/cont_int.yml @@ -129,13 +129,15 @@ jobs: path: ~/conda_pkgs_dir key: ${{ runner.os }}-conda-${{ env.CACHE_NUMBER }}-${{ hashFiles('environment.yml') }} - - name: Setup ARC Env - uses: conda-incubator/setup-miniconda@v2 + + - name: Set up miniconda + uses: conda-incubator/setup-miniconda@v3 with: - miniforge-variant: Mambaforge - miniforge-version: latest + auto-update-conda: true + environment-file: environment.yml activate-environment: arc_env - use-mamba: true + miniconda-version: latest + conda-solver: libmamba - name: Cache ARC env uses: actions/cache@v2 @@ -147,11 +149,11 @@ jobs: CACHE_NUMBER: 0 id: cache-arc-env - name: Update environment - run: mamba env update -n arc_env -f environment.yml + run: conda env update -n arc_env -f environment.yml if: steps.cache-arc-env.outputs.cache-hit != 'true' - name: Install codecov - run: mamba install -y -c conda-forge codecov + run: conda install --force-reinstall ld_impl_linux-64 -y && conda install -y -c conda-forge codecov - name: Cythonize RMG-Py run: | @@ -177,9 +179,9 @@ jobs: echo 'export PATH=$PATH:'"$(pwd)" >> $GITHUB_ENV echo 'export PYTHONPATH=$PYTHONPATH:'"$(pwd)" >> ~/.bashrc echo 'export PATH=$PATH:'"$(pwd)" >> ~/.bashrc - mamba env create -f environment.yml + conda env create -f environment.yml # install pyaml - mamba install -n tst_env -c conda-forge -y pyyaml + conda install -n tst_env -c conda-forge -y pyyaml cd .. - name: Install TS-GCN @@ -190,7 +192,7 @@ jobs: echo 'export PYTHONPATH=$PYTHONPATH:'"$(pwd)" >> ~/.bashrc echo 'export PATH=$PATH:'"$(pwd)" >> ~/.bashrc bash devtools/create_env_cpu.sh - mamba env update -n ts_gcn -f environment.yml + conda env update -n ts_gcn -f environment.yml cd .. - name: Install KinBot @@ -207,19 +209,19 @@ jobs: - name: Install OpenBabel run: | - mamba env create -f devtools/ob_environment.yml + conda env create -f devtools/ob_environment.yml - name: Install Sella run: | - mamba env create -f devtools/sella_environment.yml + conda env create -f devtools/sella_environment.yml - name: Install Torch Ani run: | - mamba env create -f devtools/tani_environment.yml + conda env create -f devtools/tani_environment.yml - name: Install XTB run: | - mamba env create -f devtools/xtb_environment.yml + conda env create -f devtools/xtb_environment.yml - name: Test with pytest shell: bash -el {0}