Added manifest for tar pip package and removed qml from non-qml tests (…

…#125) * Added manifest for pip package and tar * Remove qml dependency on non-qml test
charnley · Jan 13, 2025 · d881d63 · d881d63
1 parent bc31675
commit d881d63
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diff --git a/MANIFEST.in b/MANIFEST.in
@@ -0,0 +1,4 @@
+include *.py
+include tests/conftest.py
+recursive-include tests/resources *.xyz
+recursive-include tests/resources *.pdb
diff --git a/tests/test_pdb.py b/tests/test_pdb.py
@@ -14,7 +14,7 @@ def test_pdb_only_carbon_possible() -> None:
         cmd = f"{filename_a} {filename_b}"
         _ = rmsdlib.main(cmd.split())
 
-    cmd = f"--reorder --reorder-method qml --only-alpha-carbons {filename_a} {filename_b}"
+    cmd = f"--reorder --only-alpha-carbons {filename_a} {filename_b}"
     out = rmsdlib.main(cmd.split())
 
     print(out)