Uses micromamba to install rmg

Switches to using micromamba to manage the RMG installation within the CI and documentation build workflows. This streamlines the setup process and ensures a consistent environment for running tests and generating documentation.

Removes the separate checkout and caching steps for RMG-Py and RMG-database, as micromamba handles the environment and package dependencies.

Updates the documentation build process to correctly set the RMG database path using the micromamba environment.

Author: calvinp0

.github/workflows/ci.yml

@@ -71,23 +71,6 @@ jobs:
           echo "::endgroup::"
           julia --version # Check that Julia is installed correctly
 
-      - name: Set RMG-Py + database in PATH and PYTHONPATH
-        shell: micromamba-shell {0}
-        working-directory: ARC
-        run: |
-          # bash devtools/install_rmg.sh
-          echo "RMG_PY_PATH=$(realpath ../RMG-Py)"       >> $GITHUB_ENV
-          echo "RMG_DB_PATH=$(realpath ../RMG-database)" >> $GITHUB_ENV
-          echo "PATH=$(realpath ../RMG-Py):$PATH"        >> $GITHUB_ENV
-          echo "PYTHONPATH=$(realpath ../RMG-Py):$PYTHONPATH" >> $GITHUB_ENV
-
-      - name: Cache RMG-Py source
-        uses: actions/cache@v4
-        with:
-          path: RMG-Py
-          key: ${{ runner.os }}-rmgpy-${{ hashFiles('ARC/devtools/install_rmg.sh') }}
-          restore-keys: ${{ runner.os }}-rmgpy-
-
       - name: Install all extras - CI
         shell: micromamba-shell {0}
         working-directory: ARC

.github/workflows/gh-pages.yml

@@ -20,34 +20,17 @@ jobs:
           path: ARC
           fetch-depth: 1
 
-      # ── pull RMG sources ────────────────────────────────────────
-      - name: Checkout RMG‑Py
-        uses: actions/checkout@v4
-        with:
-          repository: ReactionMechanismGenerator/RMG-Py
-          path: RMG-Py
-          fetch-depth: 1
-
-      - name: Checkout RMG‑database
-        uses: actions/checkout@v4
-        with:
-          repository: ReactionMechanismGenerator/RMG-database
-          path: RMG-database
-          fetch-depth: 1
-
-      # ── build‑only env ───────────────────────────────────────────
+      # ── rmg_env for Arkane/database availability ───────────────
       - name: Set up micromamba (rmg_env)
         uses: mamba-org/setup-micromamba@v2
         with:
           environment-name: rmg_env
-          environment-file: RMG-Py/environment.yml
+          create-args: >-
+            -c rmg -c conda-forge python=3.9 numpy<2 rmg=3.3.0 connie::symmetry
           cache-environment: true
           cache-downloads: true
           generate-run-shell: false
 
-      - name: Build RMG‑Py in rmg_env
-        run: micromamba run -n rmg_env make -C RMG-Py -j"$(nproc)"
-
       # ── docs env (wrapper shell) ────────────────────────────────
       - name: Set up micromamba (arc_env)
         uses: mamba-org/setup-micromamba@v2
@@ -77,9 +60,8 @@ jobs:
       # ── build HTML docs ─────────────────────────────────────────
       - name: Set env vars & Build docs
         run: |
-          export RMG_PATH="$GITHUB_WORKSPACE/RMG-Py"
-          export RMG_DB_PATH="$GITHUB_WORKSPACE/RMG-database"
-          export PYTHONPATH="$GITHUB_WORKSPACE/RMG-Py:$GITHUB_WORKSPACE/ARC:$PYTHONPATH"
+          export RMG_DB_PATH="$MAMBA_ROOT_PREFIX/envs/rmg_env/share/RMG-database"
+          export PYTHONPATH="$GITHUB_WORKSPACE/ARC:$PYTHONPATH"
           export PATH="$GITHUB_WORKSPACE/ARC:$PATH"
           make -C ARC/docs html
         shell: micromamba-shell {0}

.github/workflows/update-cache.yml

@@ -21,42 +21,6 @@ jobs:
       - name: Checkout ARC
         uses: actions/checkout@v4
 
-      # ────────── RMG‑Py ──────────
-      - name: Cache RMG
-        id: cache-rmg
-        uses: actions/cache@v4
-        with:
-          path: RMG-Py
-          key: ${{ runner.os }}-rmg-main
-          restore-keys: |
-            ${{ runner.os }}-rmg-
-      - name: Checkout RMG-Py
-        if: steps.cache-rmg.outputs.cache-hit != 'true'
-        uses: actions/checkout@v4
-        with:
-          repository: ReactionMechanismGenerator/RMG-Py
-          path: RMG-Py
-          ref: 55464c54d1fa61b531e865682df598d33718597d
-          fetch-depth: 1
-
-      # ────────── RMG‑database ──────────
-      - name: Cache RMG-database
-        id: cache-rmg-db
-        uses: actions/cache@v4
-        with:
-          path: RMG-database
-          key: ${{ runner.os }}-rmgdb-main
-          restore-keys: |
-            ${{ runner.os }}-rmgdb-
-      - name: Checkout RMG-database
-        if: steps.cache-rmg-db.outputs.cache-hit != 'true'
-        uses: actions/checkout@v4
-        with:
-          repository: ReactionMechanismGenerator/RMG-database
-          path: RMG-database
-          ref: main
-          fetch-depth: 1
-
       # ────────── AutoTST ──────────
       - name: Cache AutoTST
         id: cache-autotst