tests for python 3.12

mosdef-hub · Apr 1, 2024 · 2d4a6f0 · 2d4a6f0
1 parent dac6730
commit 2d4a6f0
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Showing 3 changed files with 5 additions and 5 deletions.
diff --git a/.github/workflows/CI.yaml b/.github/workflows/CI.yaml
@@ -19,10 +19,10 @@ jobs:
       fail-fast: false
       matrix:
         os: [macOS-latest, ubuntu-latest]
-        python-version: ["3.9", "3.10", "3.11"]
+        python-version: ["3.9", "3.10", "3.11", "3.12"]
         include:
           - os: windows-latest
-            python-version: "3.11"
+            python-version: "3.12"
 
     defaults:
       run:

diff --git a/environment-dev-win.yml b/environment-dev-win.yml
@@ -14,13 +14,13 @@ dependencies:
   - mdtraj
   - networkx
   - nglview>=2.7
-  - numpy=1.24.2
+  - numpy=1.26.4
   - openbabel>=3.0.0
   - packmol=1!18.013
   - parmed>=3.4.3
   - pip
   - pre-commit
-  - protobuf<4
+  - protobuf
   - py3Dmol
   - pycifrw
   - pytest

diff --git a/mbuild/tests/test_packing.py b/mbuild/tests/test_packing.py
@@ -397,7 +397,7 @@ def test_box_edge(self, h2o, methane):
         edge = 0.2
         bounds = [2, 2, 2, 1]
         sphere = mb.fill_sphere(
-            compound=h2o, n_compounds=100, sphere=bounds, edge=edge
+            compound=h2o, n_compounds=120, sphere=bounds, edge=edge
         )
         target_diameter = (bounds[3] - edge) * 2
         assert np.allclose(