Install

Get Started with PSI4

Select Preferences

Linux
MacOS
Windows WSL

installer
conda
source

2.7
3.5
3.6

stable release, v1.2rc2.dev65
nightly build

Run this command

Variations and Notes

update installation

                                             conda update psi4 -c psi4/label/dev

install into environment

                                             conda create -n p4env psi4 python=3.6 -c psi4/label/dev
 conda activate p4env

install very specific version

                                             conda install psi4=1.2a1.dev249+623ad64=py36_sse41_0 -c psi4/label/subchannel -c psi4

also install optional runtime addons

                                             conda install psi4 psi4-rt -c psi4/label/dev

print configuration information

                                             .psi4-post-link.sh

build with your own intel compilers

                                             `psi4-path-advisor --intel`

build with add'l cmake options and objdir postfix

                                             `psi4-path-advisor`-take2 -DCMAKE_INSTALL_PREFIX=/path/to/install-psi4

get Miniconda

Miniconda bash installers at https://conda.io/miniconda.html 
                                            # download installer from above. adjust installer file name and install destination below
 bash Miniconda3-latest-Linux-x86_64 -b -p $HOME/miniconda
  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 in path