Installed psi4 in Anaconda, but running is a problem

I installed psi4 in my Debian Linux following the instructions in parts 5 and 6 without any warnings or errors.

However, when I attempt executing psi4 I get the following errors:

comp@AbNormal:~/Apps/anaconda3/envs/p4env/bin$ ./psi4 ~/
Traceback (most recent call last):
File “/usr/lib/python2.7/”, line 563, in
File “/usr/lib/python2.7/”, line 545, in main
known_paths = addusersitepackages(known_paths)
File “/usr/lib/python2.7/”, line 272, in addusersitepackages
user_site = getusersitepackages()
File “/usr/lib/python2.7/”, line 247, in getusersitepackages
user_base = getuserbase() # this will also set USER_BASE
File “/usr/lib/python2.7/”, line 237, in getuserbase
USER_BASE = get_config_var(‘userbase’)
File “/usr/lib/python2.7/”, line 582, in get_config_var
return get_config_vars().get(name)
File “/usr/lib/python2.7/”, line 528, in get_config_vars
File “/usr/lib/python2.7/”, line 412, in _init_posix
from _sysconfigdata import build_time_vars
File “/usr/lib/python2.7/”, line 6, in
from _sysconfigdata_nd import *
ImportError: No module named _sysconfigdata_nd

I have also installed the latest version of Snyder and it runs without any trouble what so ever.

I would appreciate a pointer towards a solution to this problem.

Thanks in advance.

The Psi4 binary has to be running the Anaconda python installed alongside psi4. From your traceback, system python has precedence. I suggest source activate p4env to give the conda python precedence or put psi4 higher in your $PATH. which psi4 python should point to the p4env environment.

That was the solution.

Many thanks!!!

Unfortunately, I spoke too soon. The source solution was not persistent. It only worked once.

For every terminal window you will need to run the source activate command or add this line to your ~/.bash_profile (osx) or ~/.bashrc (linux) file.

Now, that did the trick!

Again, many thanks.