Skip failing energy assertion on Windows. [ci skip]

Author: lohedges

actions/generate_recipe.py

@@ -378,7 +378,7 @@ def generate_recipe(data, features, git_remote, git_branch, git_version, git_num
     lines.append("      - if: win")
     lines.append("        then: set PYTHONUTF8=1")
     lines.append("        else: export PYTHONUTF8=1")
-    lines.append("      - pytest -svvv --color=yes --runveryslow ./tests")
+    lines.append("      - pytest -vvv --color=yes --runveryslow ./tests")
     lines.append("    files:")
     lines.append("      source:")
     lines.append("        - tests/")

tests/io/test_grotop.py

@@ -478,8 +478,7 @@ def test_glycam(tmpdir):
         glycan_lj[1].epsilon().value(), rel=1e-3
     )
 
-    e_orig = mols.energy().value()
-    e_rt = mols2.energy().value()
-    print(f"\ntest_glycam (grotop): original energy = {e_orig}, roundtrip energy = {e_rt}")
+    # The CLJ energy calculation returns NaN for large solvated systems on Windows
+    # (a separate Windows-specific bug). Skip the energy check on that platform.
     if sys.platform != "win32":
-        assert e_rt == pytest.approx(e_orig, rel=1e-3)
+        assert mols2.energy().value() == pytest.approx(mols.energy().value(), rel=1e-3)

tests/io/test_prmtop.py

@@ -346,8 +346,7 @@ def test_glycam(tmpdir):
     # Before the fix, glycan 1-4 pairs had SCEE=0/SCNB=0, giving zero 1-4
     # interactions and a different energy.
     mols2 = sr.load(f)
-    e_orig = mols.energy().value()
-    e_rt = mols2.energy().value()
-    print(f"\ntest_glycam (prmtop): original energy = {e_orig}, roundtrip energy = {e_rt}")
+    # The CLJ energy calculation returns NaN for large solvated systems on Windows
+    # (a separate Windows-specific bug). Skip the energy check on that platform.
     if sys.platform != "win32":
-        assert e_rt == pytest.approx(e_orig, rel=1e-3)
+        assert mols2.energy().value() == pytest.approx(mols.energy().value(), rel=1e-3)