Merge pull request #543 from marrink-lab/nx-3

Networkx 3
marrink-lab · Sep 19, 2023 · c14cf44 · c14cf44
2 parents 154829d + 0d338d7
commit c14cf44
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Showing 4 changed files with 15 additions and 19 deletions.
diff --git a/.github/workflows/deploy.yml b/.github/workflows/deploy.yml
@@ -19,10 +19,8 @@ jobs:
 
     strategy:
       matrix:
-       py_version: ["3.7", "3.8", "3.9", "3.10", "3.11"]
+       py_version: ["3.8", "3.9", "3.10", "3.11"]
        include:
-         - py_version: "3.7"
-           WITH_CODECOV: true
          - py_version: "3.8"
            WITH_CODECOV: true
          - py_version: "3.9"
@@ -67,10 +65,10 @@ jobs:
 
     steps:
     - uses: actions/checkout@v3
-    - name: Set up Python 3.10
+    - name: Set up Python 3.11
       uses: actions/setup-python@v4
       with:
-        python-version: '3.10'
+        python-version: '3.11'
         cache: pip
         cache-dependency-path: |
           **/setup.cfg
@@ -92,10 +90,10 @@ jobs:
 
       steps:
       - uses: actions/checkout@v3
-      - name: Set up Python 3.10
+      - name: Set up Python 3.11
         uses: actions/setup-python@v4
         with:
-           python-version: '3.10'
+           python-version: '3.11'
            cache: pip
            cache-dependency-path: |
              **/setup.cfg
@@ -110,7 +108,7 @@ jobs:
       - name: Run docs
         run: | 
           mkdir -p doc/source/_static
-          sphinx-build -EnW -b html doc/source/ doc/build/html
+          sphinx-build -EW -b html doc/source/ doc/build/html
   
 
   deploy:
@@ -119,10 +117,10 @@ jobs:
 
     steps:
     - uses: actions/checkout@v3
-    - name: Set up Python 3.10
+    - name: Set up Python 3.11
       uses: actions/setup-python@v4
       with:
-        python-version: '3.10'
+        python-version: '3.11'
         cache: pip
         cache-dependency-path: |
           **/setup.cfg

diff --git a/.github/workflows/run_tests.yml b/.github/workflows/run_tests.yml
@@ -21,10 +21,8 @@ jobs:
 
     strategy:
       matrix:
-       py_version: ["3.7", "3.8", "3.9", "3.10", "3.11"]
+       py_version: ["3.8", "3.9", "3.10", "3.11"]
        include:
-         - py_version: "3.7"
-           WITH_CODECOV: true
          - py_version: "3.8"
            WITH_CODECOV: true
          - py_version: "3.9"
@@ -70,10 +68,10 @@ jobs:
 
     steps:
     - uses: actions/checkout@v3
-    - name: Set up Python 3.10
+    - name: Set up Python 3.11
       uses: actions/setup-python@v4
       with:
-        python-version: '3.10'
+        python-version: '3.11'
         cache: pip
         cache-dependency-path: |
           **/setup.cfg
@@ -95,10 +93,10 @@ jobs:
 
       steps:
       - uses: actions/checkout@v3
-      - name: Set up Python 3.10
+      - name: Set up Python 3.11
         uses: actions/setup-python@v4
         with:
-           python-version: '3.10'
+           python-version: '3.11'
            cache: pip
            cache-dependency-path: |
              **/setup.cfg

diff --git a/setup.cfg b/setup.cfg
@@ -33,7 +33,7 @@ setup-requires =
 install-requires =  # ?? requires-dist?
     pbr
     numpy
-    networkx ~= 2.0
+    networkx >= 2.0
     scipy
 zip-safe = False
 

diff --git a/vermouth/tests/test_average_beads.py b/vermouth/tests/test_average_beads.py
@@ -28,7 +28,7 @@ def mol_with_subgraph():
     """
     Create a molecule with a subgraph under the "graph" attribute of each node.
     """
-    mol = nx.OrderedGraph()
+    mol = nx.Graph()
 
     subgraph = nx.Graph()
     subgraph.add_nodes_from((