diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 02d964c1d6..95ae5814e7 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -18,7 +18,7 @@ jobs: steps: - name: Checkout ARC - uses: actions/checkout@v6 + uses: actions/checkout@v7 with: path: ARC diff --git a/.github/workflows/codeql.yml b/.github/workflows/codeql.yml index 04e7ca86b6..c681dc762d 100644 --- a/.github/workflows/codeql.yml +++ b/.github/workflows/codeql.yml @@ -24,7 +24,7 @@ jobs: steps: - name: Checkout - uses: actions/checkout@v6 + uses: actions/checkout@v7 - name: Initialize CodeQL uses: github/codeql-action/init@v4 diff --git a/.github/workflows/docker_build.yml b/.github/workflows/docker_build.yml index 4c6c25d45f..95e6f43f11 100644 --- a/.github/workflows/docker_build.yml +++ b/.github/workflows/docker_build.yml @@ -34,7 +34,7 @@ jobs: swap-storage: true - name: Checkout - uses: actions/checkout@v6 + uses: actions/checkout@v7 - name: Set up Buildx uses: docker/setup-buildx-action@v4.1.0 diff --git a/.github/workflows/gh-pages.yml b/.github/workflows/gh-pages.yml index 171d9ba1e6..b69fc28653 100644 --- a/.github/workflows/gh-pages.yml +++ b/.github/workflows/gh-pages.yml @@ -14,7 +14,7 @@ jobs: steps: # ── clone ARC repo ─────────────────────────────────────────── - name: Checkout ARC - uses: actions/checkout@v6 + uses: actions/checkout@v7 with: repository: ReactionMechanismGenerator/ARC path: ARC diff --git a/.github/workflows/update-cache.yml b/.github/workflows/update-cache.yml index 5df71c0a97..378ea0d5ef 100644 --- a/.github/workflows/update-cache.yml +++ b/.github/workflows/update-cache.yml @@ -19,7 +19,7 @@ jobs: steps: # ────────── source repo ────────── - name: Checkout ARC - uses: actions/checkout@v6 + uses: actions/checkout@v7 # ────────── AutoTST ────────── - name: Cache AutoTST @@ -32,7 +32,7 @@ jobs: ${{ runner.os }}-autotst- - name: Checkout AutoTST if: steps.cache-autotst.outputs.cache-hit != 'true' - uses: actions/checkout@v6 + uses: actions/checkout@v7 with: repository: ReactionMechanismGenerator/AutoTST path: AutoTST @@ -50,7 +50,7 @@ jobs: ${{ runner.os }}-tsgcn- - name: Checkout TS-GCN if: steps.cache-tsgcn.outputs.cache-hit != 'true' - uses: actions/checkout@v6 + uses: actions/checkout@v7 with: repository: ReactionMechanismGenerator/TS-GCN path: TS-GCN @@ -68,7 +68,7 @@ jobs: ${{ runner.os }}-kinbot- - name: Checkout KinBot 2.0.6 if: steps.cache-kinbot.outputs.cache-hit != 'true' - uses: actions/checkout@v6 + uses: actions/checkout@v7 with: repository: zadorlab/KinBot path: KinBot diff --git a/Dockerfile b/Dockerfile index 6943a8476e..c876ef20b4 100644 --- a/Dockerfile +++ b/Dockerfile @@ -47,12 +47,13 @@ RUN micromamba create -y -v -n rmg_env python=3.11 -f /home/mambauser/Code/RMG-P RUN micromamba run -n rmg_env make -C /home/mambauser/Code/RMG-Py -j"$(nproc)" -RUN micromamba run -n rmg_env bash -c "\ +RUN micromamba run -n rmg_env bash -c '\ + export PATH=$(julia -e "print(Sys.BINDIR)"):$PATH && \ cd /home/mambauser/Code/RMG-Py && \ export RMS_INSTALLER=continuous && \ export RMS_BRANCH=for_rmg && \ source install_rms.sh \ - " + ' WORKDIR /home/mambauser/Code/ARC RUN micromamba create -y -v -n arc_env python=3.14 -c conda-forge -c danagroup -f environment.yml && \