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Fix and cleanup CI tests
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Co-authored-by: Rocco Meli <r.meli@bluemail.ch>
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Jnelen and RMeli authored Mar 6, 2024
1 parent af5c2a8 commit 1045a91
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Showing 2 changed files with 3 additions and 3 deletions.
2 changes: 1 addition & 1 deletion .github/workflows/pytest.yml
Original file line number Diff line number Diff line change
Expand Up @@ -30,7 +30,7 @@ jobs:
exclude:
# graph-tools does not work on Windows
- {os: "windows-latest", graphlib: "gt"}
- {graphlib: "all", chemlib: "openbabel"}
- {graphlib: "all", chemlib: "obabel"}
include:
- {os: "macOS-14", graphlib: "gt", chemlib: "obabel", python-version: "3.12"}
- {os: "macOS-14", graphlib: "nx", chemlib: "rdkit", python-version: "3.12"}
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4 changes: 2 additions & 2 deletions tests/test_graph.py
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Expand Up @@ -161,10 +161,10 @@ def test_build_graph_node_features_unsupported() -> None:
reason="Not all of the required backends are installed",
)
def test_set_backend() -> None:
A = np.array([[0, 1, 1], [1, 0, 0], [1, 0, 1]])

import graph_tool as gt
import networkx as nx

A = np.array([[0, 1, 1], [1, 0, 0], [1, 0, 1]])

spyrmsd.set_backend("networkx")
assert spyrmsd.get_backend() == "networkx"
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