I am trying to install GPAW, a package for DFT simulations, but It looks like it can't find another python library called ASE. I already installed and set the environment variables like this (as stated in the installation instructions):
export PYTHONPATH=~/.local/bin:~/bin/gpaw:~/gpaw:$PYTHONPATH export PATH=~/.local/bin:~/bin/gpaw/tools:~/gpaw/tools:$PATH
But when I try to run the test
gpaw info, to check whether the installation is correct or not:
$ gpaw info Traceback (most recent call last): File "/home/joshua/.local/bin/gpaw", line 2, in <module> from gpaw.cli.main import main File "/home/joshua/bin/gpaw/gpaw/__init__.py", line 242, in <module> from gpaw.calculator import GPAW File "/home/joshua/bin/gpaw/gpaw/calculator.py", line 5, in <module> from ase.units import Bohr, Ha ModuleNotFoundError: No module named 'ase'
Is there a way to check tell GPAW where ASE is? ASE already works with
$ ase test, but not from
import ase in python CLI.