Difference between install procedures

1

Hi developers/users,

I do not have much experience into building from source, so I downloaded the installer and issued these commands.

# download via button above  -OR-  following line
 curl "http://vergil.chemistry.gatech.edu/psicode-download/Psi4conda-1.4-py38-Linux-x86_64.sh" -o Psi4conda-1.4-py38-Linux-x86_64.sh --keepalive-time 2
 bash Psi4conda-1.4-py38-Linux-x86_64.sh -b -p $HOME/psi4conda
  echo $'. $HOME/psi4conda/etc/profile.d/conda.sh\nconda activate' >> ~/.bashrc
  echo "source $HOME/psi4conda/etc/profile.d/conda.csh\nconda activate" >> ~/.tcshrc
# log out, log back in so conda and psi4 in path
 psi4 --test

After the test, I got,

41 passed, 10 skipped, 3313 deselected, 4 xfailed, 32 warnings in 138.45s (0:02:18)

Few of the Modules were not present such as MRCC.

So, If I need the full package, Do I get them if build from the source?
If so, then How do I uninstall this?

2

You do not get all the modules from building from source. For example, MRCC is another electronic structure package, and you need to get that from the MRCC authors.

Which modules do you need? Once I know that, I can advise you how to get them.

3

Not for now. I was asking if I was doing things wrongly or not.
Thanks.

4

No, you’re not doing things wrong. From what you’ve posted, the source build seems to be working as expected.

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