From 2d4a6f091809b3bd7e20cb63fae27907f84d9b33 Mon Sep 17 00:00:00 2001 From: root Date: Mon, 1 Apr 2024 11:00:15 -0500 Subject: [PATCH] tests for python 3.12 --- .github/workflows/CI.yaml | 4 ++-- environment-dev-win.yml | 4 ++-- mbuild/tests/test_packing.py | 2 +- 3 files changed, 5 insertions(+), 5 deletions(-) diff --git a/.github/workflows/CI.yaml b/.github/workflows/CI.yaml index 9feae3edc..97dde885a 100644 --- 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 index 6bec5dc9d..a95ac86a9 100644 --- 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 index c1f79ec32..e41fc4029 100644 --- 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(