This issue has been solved offline. It is because of a mismatch of "AMANZI_SRC_DIR" path shown in Chuyang's PATH and os.environ. The "AMANZI_SRC_DIR" path was not updated in os.environ, so the newer version of ats_input_spec used an older version of amanzi code, in which some key names have been changed.
Most of such KeyError problems in ats_input_spec should be caused by that the corresponding header files including those keys were not found, either because the header files are not in path or because those keys have been renamed with code version updating.
Best,
Bo Gao