Unpin ASE, fix test (#627)

* Unpin ASE * Fix cif test
aiidalab · Feb 6, 2025 · c712c45 · c712c45
1 parent 0b1651b
commit c712c45
Show file tree

Hide file tree

Showing 2 changed files with 6 additions and 4 deletions.
diff --git a/setup.cfg b/setup.cfg
@@ -23,7 +23,7 @@ install_requires =
     aiida-core>=2.1,<3
     aiidalab>=21.11.2
     ansi2html~=1.6
-    ase~=3.18,<3.23
+    ase~=3.18
     bokeh~=2.0
     humanfriendly~=10.0
     ipytree~=0.2

diff --git a/tests/test_viewers.py b/tests/test_viewers.py
@@ -72,7 +72,7 @@ def test_folder_data_viewer(folder_data_object):
 
 
 @pytest.mark.usefixtures("aiida_profile_clean")
-def test_structure_data_viewer_storage(structure_data_object):
+def test_structure_data_viewer_storage(monkeypatch, tmp_path, structure_data_object):
     v = viewers.viewer(structure_data_object)
     assert isinstance(v, viewers.StructureDataViewer)
 
@@ -88,13 +88,13 @@ def test_structure_data_viewer_storage(structure_data_object):
         ),
         (
             "cif",
-            """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""",
+            """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""",
         ),
     ]
 
     for fmt, out in format_cases:
         v.file_format.label = fmt
-        assert v._prepare_payload() == out
+        assert v._prepare_payload() == out, f"{fmt} structure payload does not match"
 
     # Monkey patch the viewer to avoid the need for a running X server.
     # fmt: off
@@ -105,6 +105,8 @@ def test_structure_data_viewer_storage(structure_data_object):
         -1.6859999895095825, -1.6859999895095825, -0.6669999957084656, 1,
     ]
     # fmt: on
+    # Avoid producing temporary files from povray in the repo
+    monkeypatch.chdir(tmp_path)
     v._render_structure()