Maintenance task

.github/workflows/CI.yaml

@@ -29,23 +29,21 @@ jobs:
         shell: bash -l {0}
 
     steps:
-      - uses: actions/checkout@v2
+      - uses: actions/checkout@v3
         name: Checkout Branch / Pull Request
 
       - name: Install Mamba (Linux)
-        uses: mamba-org/provision-with-micromamba@main
+        uses: mamba-org/setup-micromamba@v1
         with:
           environment-file: environment-dev.yml
-          extra-specs: |
-            python=${{ matrix.python-version }}
+          python-version: ${{ matrix.python-version }}
         if: runner.os != 'Windows'
 
       - name: Install Mamba (Windows)
-        uses: mamba-org/provision-with-micromamba@main
+        uses: mamba-org/setup-micromamba@v1
         with:
           environment-file: environment-dev-win.yml
-          extra-specs: |
-            python=${{ matrix.python-version }}
+          python-version: ${{ matrix.python-version }}
         if: runner.os == 'Windows'
 
       - name: Install Package
@@ -76,15 +74,14 @@ jobs:
         shell: bash -l {0}
 
     steps:
-      - uses: actions/checkout@v2
+      - uses: actions/checkout@v3
         name: Checkout Branch / Pull Request
 
       - name: Install Mamba
-        uses: mamba-org/provision-with-micromamba@main
+        uses: mamba-org/setup-micromamba@v1
         with:
           environment-file: environment-dev.yml
-          extra-specs: |
-            python=3.8
+          python-version: "3.10"
 
       - name: Clone Foyer and GMSO
         run: |

mbuild/tests/test_compound.py

@@ -433,17 +433,24 @@ def test_save_resnames_single(self, c3, n4):
         assert struct.residues[0].number == 1
         assert struct.residues[1].number == 2
 
-    def test_save_residue_map(self, methane):
-        filled = mb.fill_box(methane, n_compounds=20, box=[0, 0, 0, 4, 4, 4])
+    def test_save_residue_map(self, ethane):
+        filled = mb.fill_box(ethane, n_compounds=100, box=[0, 0, 0, 4, 4, 4])
         t0 = time.time()
-        filled.save("filled.mol2", forcefield_name="oplsaa", residues="Methane")
+        foyer_kwargs = {"use_residue_map": True}
+        filled.save(
+            "filled.mol2",
+            forcefield_name="oplsaa",
+            residues="Ethane",
+            foyer_kwargs=foyer_kwargs,
+        )
         t1 = time.time()
+
         foyer_kwargs = {"use_residue_map": False}
         filled.save(
             "filled.mol2",
             forcefield_name="oplsaa",
             overwrite=True,
-            residues="Methane",
+            residues="Ethane",
             foyer_kwargs=foyer_kwargs,
         )
         t2 = time.time()