update pytest version

dptech-corp · Jan 30, 2024 · 402a88f · 402a88f
1 parent 6f41c5c
commit 402a88f
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Showing 3 changed files with 9 additions and 8 deletions.
diff --git a/.github/workflows/ci_unidock.yml b/.github/workflows/ci_unidock.yml
@@ -42,16 +42,17 @@ jobs:
         nvidia-smi
         unidock --version
 
-    - name: Set up Python 3.8
+    - name: Set up Python 3.10
       uses: actions/setup-python@v3
       with:
-        python-version: 3.8
+        python-version: 3.10
 
     - name: perform unit-test
       run: |
         python -m pip install --upgrade pip
-        pip install pytest
-        pytest unidock/test/ut -v
+        pip install pytest>=8.0.0 coverage
+        coverage run -m pytest unidock/test/ut -v
+        coverage xml
 
   build_docker_image:
     needs: unidock_test

diff --git a/unidock/test/ut/test_unidock.py b/unidock/test/ut/test_unidock.py
@@ -39,7 +39,7 @@ def test_unidock_vina(self):
                     break
         self.assertNotEqual(score_line, "")
         score = float([e for e in score_line[len("REMARK VINA RESULT:"):].split(" ") if e!=""][0])
-        self.assertTrue(-12 <= score <= -5)
+        self.assertTrue(-20 <= score <= -1)
 
     def test_unidock_vinardo(self):
         cmd = f"unidock --receptor {self.receptor} --gpu_batch {self.ligand} --dir {self.workdir} \
@@ -63,7 +63,7 @@ def test_unidock_vinardo(self):
                     break
         self.assertNotEqual(score_line, "")
         score = float([e for e in score_line[len("REMARK VINA RESULT:"):].split(" ") if e!=""][0])
-        self.assertTrue(-12 <= score <= -5)
+        self.assertTrue(-20 <= score <= -1)
 
 if __name__ == "__main__":
     ut.main()
diff --git a/unidock/test/ut/test_unidock_sdf.py b/unidock/test/ut/test_unidock_sdf.py
@@ -42,7 +42,7 @@ def test_unidock_sdf_vina(self):
                     break
         self.assertNotEqual(score_line, "")
         score = float([e for e in score_line[len("ENERGY="):].split(" ") if e!=""][0])
-        self.assertTrue(-15 <= score <= -8)
+        self.assertTrue(-20 <= score <= -1)
 
     def test_unidock_sdf_vinardo(self):
         cmd = f"unidock --receptor {self.receptor} --gpu_batch {self.ligand} --dir {self.workdir} \
@@ -69,7 +69,7 @@ def test_unidock_sdf_vinardo(self):
                     break
         self.assertNotEqual(score_line, "")
         score = float([e for e in score_line[len("ENERGY="):].split(" ") if e!=""][0])
-        self.assertTrue(-15 <= score <= -8)
+        self.assertTrue(-20 <= score <= -1)
 
 if __name__ == "__main__":
     ut.main()