Merge branch 'main' into main

materialsvirtuallab · Aug 29, 2023 · 1057435 · 1057435
2 parents 9e1a24b + cbe3896
commit 1057435
Show file tree

Hide file tree

Showing 2 changed files with 1 addition and 4 deletions.
diff --git a/.devcontainer/Dockerfile b/.devcontainer/Dockerfile
@@ -14,6 +14,3 @@ RUN if [ -f "/tmp/conda-tmp/environment.yml" ]; then umask 0002 && /opt/conda/bi
 # [Optional] Uncomment this section to install additional OS packages.
 # RUN apt-get update && export DEBIAN_FRONTEND=noninteractive \
 #     && apt-get -y install --no-install-recommends <your-package-list-here>
-
-RUN pip install -r requirements-ci.txt
-RUN pip install -e .
diff --git a/tests/graph/test_compute.py b/tests/graph/test_compute.py
@@ -114,7 +114,7 @@ def test_compute_angle(self, graph_Mo, graph_CH4):
         # test only compute theta
         line_graph.apply_edges(compute_theta)
         np.testing.assert_array_almost_equal(
-            np.sort(np.arccos(np.array(cos_loop))), np.sort(np.array(line_graph.edata["theta"]))
+            np.sort(np.arccos(np.array(cos_loop))), np.sort(np.array(line_graph.edata["theta"])), decimal=4
         )
 
         # test only compute theta with cosine