[BUG] cp2k: `TypeError: only 0-dimensional arrays can be converted to Python scalars`

### Bug summary The recent CI runs reported an error on CP2K tests: `TypeError: only 0-dimensional arrays can be converted to Python scalars`. See the log below. ### dpdata Version devel ### Input Files, Running Commands, Error Log, etc. ``` ====================================================================== ERROR: test_nframs (test_cp2k_aimd_output.TestCp2kAimdStressOutput.test_nframs) ---------------------------------------------------------------------- Traceback (most recent call last): File "/home/runner/work/dpdata/dpdata/tests/test_cp2k_aimd_output.py", line 23, in setUp self.system_1 = dpdata.LabeledSystem("cp2k/aimd_stress", fmt="cp2k/aimd_output") ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/home/runner/work/dpdata/dpdata/dpdata/system.py", line 197, in __init__ self.from_fmt( File "/home/runner/work/dpdata/dpdata/dpdata/system.py", line 234, in from_fmt return self.from_fmt_obj(load_format(fmt), file_name, **kwargs) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/home/runner/work/dpdata/dpdata/dpdata/system.py", line 1224, in from_fmt_obj data = fmtobj.from_labeled_system(file_name, **kwargs) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/home/runner/work/dpdata/dpdata/dpdata/plugins/cp2k.py", line 25, in from_labeled_system return tuple(Cp2kSystems(log_file, xyz_file, restart)) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/home/runner/work/dpdata/dpdata/dpdata/cp2k/output.py", line 67, in __next__ assert math.isclose( ^^^^^^^^^^^^^ TypeError: only 0-dimensional arrays can be converted to Python scalars ``` ### Steps to Reproduce Run the UT. ### Further Information, Files, and Links _No response_