AiiDA setup (aiida-core, aiida-vasp, aiida-phonoxpy) on an empty VM from scratch

Assuming VASP, phonopy, phono3py, and ALM are installed properly.

On ubuntu

sudo apt install rabbitmq-server

Configure conda-forge with .condarc,

channel_priority: strict
  - conda-forge
auto_activate_base: false

Install AiiDA related packages:

conda install numpy scipy h5py pyyaml matplotlib-base compilers "libblas=*=*mkl" spglib mkl-include boost eigen cmake ipython make aiida-core "pymatgen=2022.1.9" ase seekpath postgresql lxml

Initialize postgres, and prepare aiidadb. Now verdi quicksetup works nicely.

initdb -D /home/username/aiida-proj
pg_ctl -D /home/username/aiida-proj start
verdi quicksetup

AiiDA plugins of aiida-vasp and aiida-phonoxpy are installed via github repositories with pip install -e . -vvv. Specific scheduler plugin may be required for me. Then setting up computer and code. For aiida-vasp POTCARs,

verdi data vasp-potcar uploadfamily ...

Maybe setting up local queueing system (gridengine),