consistent_active_orbital_spaces.py can not run correctly

[wangdu817]

Hi, I want to try the consistent_active_orbital_spaces in autocas, i use the consistent_active_orbital_spaces.py by input "python consistent_active_orbital_spaces.py -m casscf -b cc-ptdz 992954475746614962061_r12_insertion_R_3_4_12.xyz 992954475746614962061.xyz"

and the error returned: "Final energy evaulation method: casscf Calculating only mean field. Starting initial orbital calculation.

Starting MOLCAS: /share/home/wd/OpenMolcas/pymolcas -b 1 -f MOLCAS environment: MOLCAS_PROJECT: 0 MOLCAS_MEM: 12000 WorkDir: /mnt/ssd/wd/cases/casscf_test/molcas/scratch MOLCAS_NPROCS: 1 OMP_NUM_THREADS: 1 QCMaquis_CPU: 1 Initial orbitals finished. Calculating only mean field. Starting initial orbital calculation.

Starting MOLCAS: /share/home/wd/OpenMolcas/pymolcas -b 1 -f MOLCAS environment: MOLCAS_PROJECT: 1 MOLCAS_MEM: 12000 WorkDir: /mnt/ssd/wd/cases/casscf_test/molcas/scratch MOLCAS_NPROCS: 1 OMP_NUM_THREADS: 1 QCMaquis_CPU: 1 Initial orbitals finished. Traceback (most recent call last): File "consistent_active_orbital_spaces.py", line 348, in main(os.path.dirname(os.path.abspath(file))) File "consistent_active_orbital_spaces.py", line 274, in main serenity = Serenity(molecules, settings) File "/share/home/wd/anaconda3/envs/autocas/lib/python3.7/site-packages/scine_autocas/interfaces/serenity/init.py", line 122, in init settings = spy.Settings() AttributeError: module 'serenipy' has no attribute 'Settings'"

Does it mean that I need to install serenity?

Du Wang