Download
NWChem source is available for download from https://github.com/nwchemgit/nwchem/releases
Compilation instructions can be found at this link
Debian: https://packages.debian.org/search?keywords=nwchem
Ubuntu: https://launchpad.net/ubuntu/+source/nwchem
Fedora and EPEL: https://admin.fedoraproject.org/updates/search/nwchem
Good search engine for NWChem Linux packages: https://pkgs.org/search/?q=nwchem
sudo yum -y install https://dl.fedoraproject.org/pub/epel/epel-release-latest-6.noarch.rpm
sudo yum update
sudo yum install nwchem
In order to run NWChem, you must type
module load mpi/openmpi-x86_64
The name of the NWChem executable is
nwchem_openmpi
sudo yum -y install https://dl.fedoraproject.org/pub/epel/epel-release-latest-7.noarch.rpm
sudo yum update
sudo yum install nwchem
In order to run NWChem, you must type
module load mpi/openmpi-x86_64
The name of the NWChem executable is
nwchem_openmpi
NWChem can be installed from Homebrew, by executing the following commands
bin/bash -c "$(curl -fsSL https://raw.githubusercontent.com/Homebrew/install/master/install.sh)"
brew install nwchem
