Merge 4671fb2 into b8c241b

cp2kdata/utils.py

@@ -1,7 +1,6 @@
 """
 this script put misc function here.
 """
-from turtle import pos
 from ase.geometry.analysis import Analysis
 from ase.io import read, write
 #from cp2kdata import Cp2kOutput

pyproject.toml

@@ -7,7 +7,7 @@ build-backend = "setuptools.build_meta"
 
 [project]
 name = "Cp2kData"
-version = "0.6.7"
+version = "0.6.8"
 description = "A Small Package to Postprocess Cp2k Output"
 authors = [
     {name = "Yongbin Zhuang", email = "robinzhuang@outlook.com"}

tests/test_dpdata/test_labeledsys.py

@@ -62,7 +62,7 @@
     )
 
 # test case
-@pytest.fixture(params=test_params, scope='class')
+@pytest.fixture(params=test_params, scope='class', ids=e_f_output_path_list+aimd_output_path_list)
 def cp2k_and_ref(request):
     return request.param
 

tests/test_dpdata/test_labeledsys_nocon.py

@@ -14,7 +14,7 @@
         ) for path in e_f_output_path_list
 ]
 
-@pytest.fixture(params=e_f_dpdata_list, scope='class')
+@pytest.fixture(params=e_f_dpdata_list, scope='class', ids=e_f_output_path_list)
 def cp2k_and_ref(request):
     return request.param
 

tests/test_energy_force/test_energy_force.py

@@ -28,7 +28,7 @@ def json_to_dict(json_file):
                    energy_force_output_path_list))
 
 
-@pytest.fixture(params=test_params, scope='class')
+@pytest.fixture(params=test_params, scope='class', ids=energy_force_output_path_list)
 def output_and_answer_path(request):
     return request.param
 

tests/test_pdos/test_name.py

@@ -59,7 +59,7 @@
 
 test_params = list(zip(parsed_values, test_answer))
 
-@pytest.fixture(params=test_params, scope='class')
+@pytest.fixture(params=test_params, scope='class', ids=pdos_file_list)
 def output_and_answer(request):
     return request.param