NWChem 7.3.1

The NWChem 7.3.1 release is now available.

Documentation available at
https://nwchemgit.github.io/

Please use the Github Issues feature to file bugs, feedback, etc ... at
https://github.com/nwchemgit/nwchem/issues

Release notes at
https://github.com/nwchemgit/nwchem/blob/master/release.notes.7.3.1.md

We recommend downloading the file (containing just the source code)
https://github.com/nwchemgit/nwchem/releases/download/v7.3.1-release/nwchem-7.3.1-release.revision-23c3b41b-nonsrconly.2025-11-06.tar.bz2

QA tests, examples and the rest of the release files can be found in
https://github.com/nwchemgit/nwchem/releases/download/v7.3.1-release/nwchem-7.3.1-release.revision-23c3b41b-nonsrconly.2025-11-06.tar.bz2

If you would rather download all the release files at once, please download the 161 MB file
https://github.com/nwchemgit/nwchem/releases/download/v7.3.1-release/nwchem-7.3.1-release.revision-23c3b41b-src.2025-11-06.tar.bz2

NWChem 7.3.0

The NWChem 7.3.0 release is now available.

Documentation available at
https://nwchemgit.github.io/

Please use the Github Issues feature to file bugs, feedback, etc ... at
https://github.com/nwchemgit/nwchem/issues

Release notes at
https://github.com/nwchemgit/nwchem/blob/master/release.notes.7.3.0.md

We recommend downloading the file (containing just the source code)
https://github.com/nwchemgit/nwchem/releases/download/v7.3.0-release/nwchem-7.3.0-release.revision-e60d3d90-srconly.2025-10-24.tar.bz2

QA tests, examples and the rest of the release files can be found in
https://github.com/nwchemgit/nwchem/releases/download/v7.3.0-release/nwchem-7.3.0-release.revision-e60d3d90-nonsrconly.2025-10-24.tar.bz2

If you would rather download all the release files at once, please download the 161 MB file
https://github.com/nwchemgit/nwchem/releases/download/v7.3.0-release/nwchem-7.3.0-release.revision-e60d3d90-src.2025-10-24.tar.bz2

NWChem 7.2.3

The NWChem 7.2.3 release is now available.

Documentation available at
https://nwchemgit.github.io/

Please use the Github Issues feature to file bugs, feedback, etc ... at
https://github.com/nwchemgit/nwchem/issues

Release notes at
https://github.com/nwchemgit/nwchem/blob/master/release.notes.7.2.3.md

The last two files labelled as "Source code" are to be used only by experienced software developers

We recommend to download the file (containing just the source code)
https://github.com/nwchemgit/nwchem/releases/download/v7.2.3-release/nwchem-7.2.3-release.revision-d690e065-srconly.2024-08-27.tar.bz2

QA tests, examples and the rest of the release files can be found in
https://github.com/nwchemgit/nwchem/releases/download/v7.2.3-release/nwchem-7.2.3-release.revision-d690e065-nonsrconly.2024-08-27.tar.bz2

If you would rather download all the release files at once, please download the 160 MB file
https://github.com/nwchemgit/nwchem/releases/download/v7.2.3-release/nwchem-7.2.3-release.revision-d690e065-src.2024-08-27.tar.bz2

NWChem 7.2.2

The NWChem 7.2.2 release is now available.

Documentation available at
https://nwchemgit.github.io/

Please use the Github Issues feature to file bugs, feedback, etc ... at
https://github.com/nwchemgit/nwchem/issues

Release notes at
https://github.com/nwchemgit/nwchem/blob/master/release.notes.7.2.2.md

The last two files labelled as "Source code" are to be used only by experienced software developers

We recommend to download the file (containing just the source code)
https://github.com/nwchemgit/nwchem/releases/download/v7.2.2-release/nwchem-7.2.2-release.revision-74936fb9-srconly.2023-11-03.tar.bz2

QA tests, examples and the rest of the release files can be found in
https://github.com/nwchemgit/nwchem/releases/download/v7.2.2-release/nwchem-7.2.2-release.revision-74936fb9-nonsrconly.2023-11-03.tar.bz2

If you would rather download all the release files at once, please download the 160 MB file
https://github.com/nwchemgit/nwchem/releases/download/v7.2.2-release/nwchem-7.2.2-release.revision-74936fb9-src.2023-11-03.tar.bz2

NWChem 7.2.1

The NWChem 7.2.1 release is now available.

Documentation available at
https://nwchemgit.github.io/

Please use the Github Issues feature to file bugs, feedback, etc ... at
https://github.com/nwchemgit/nwchem/issues

Release notes at
https://github.com/nwchemgit/nwchem/blob/master/release.notes.7.2.1.md

The last two files labelled as "Source code" are to be used only by experienced software developers

We recommend to download the file (containing just the source code)
https://github.com/nwchemgit/nwchem/releases/download/v7.2.1-release/nwchem-7.2.1-release.revision-487f8b94-srconly.2023-10-04.tar.bz2

QA tests, examples and the rest of the release files can be found in
https://github.com/nwchemgit/nwchem/releases/download/v7.2.1-release/nwchem-7.2.1-release.revision-487f8b94-nonsrconly.2023-10-04.tar.bz2

If you would rather download all the release files at once, please download the 160 MB file
https://github.com/nwchemgit/nwchem/releases/download/v7.2.1-release/nwchem-7.2.1-release.revision-487f8b94-src.2023-10-04.tar.bz2

NWChem 7.2.0

The NWChem 7.2.0 release is now available.

Documentation available at
https://nwchemgit.github.io

Please use the Github Issues feature to file bugs, feedback, etc ... at
https://github.com/nwchemgit/nwchem/issues

Release notes at
https://raw.githubusercontent.com/nwchemgit/nwchem/master/release.notes.7.2.0

The last two files labelled as "Source code" are to be used only by experienced software developers

We recommend to download the file (containing just the source code)
https://github.com/nwchemgit/nwchem/releases/download/v7.2.0-release/nwchem-7.2.0-release.revision-d0d141fd-srconly.2023-03-10.tar.bz2

QA tests, examples and the rest of the release files can be found in
https://github.com/nwchemgit/nwchem/releases/download/v7.2.0-release/nwchem-7.2.0-release.revision-d0d141fd-nonsrconly.2023-03-10.tar.bz2

If you would rather download all the release files at once, please download the 222 MB file
https://github.com/nwchemgit/nwchem/releases/download/v7.2.0-release/nwchem-7.2.0-release.revision-d0d141fd-src.2023-03-10.tar.bz2

Installation instructions for the precompiled packages on Ubuntu Jammy 22.04

sudo apt -y install  python3-dev gfortran  mpi-default-bin mpi-default-dev ssh

curl -LJO https://github.com/nwchemgit/nwchem/releases/download/v7.2.0-release/nwchem-data_7.2.0-2_all.ubuntu_jammy.deb
curl -LJO https://github.com/nwchemgit/nwchem/releases/download/v7.2.0-release/nwchem_7.2.0-2_amd64.ubuntu_jammy.deb
sudo dpkg -i nwchem*7.2.0*jammy*.deb

To run, please use the following command (you might want to change the number of parallel process supplied with the -np argument)

mpirun.openmpi -np 2 nwchem "input file name"

v7.2.0-beta2

Second beta version for the upcoming 7.2.0 release

Full Changelog: master-oct22_2018...v7.2.0-beta2

NWChem 7.0.2

The NWChem 7.0.2 release is now available.
This is a maintenance release that contains fixes to bugs uncovered in the NWChem 7.0.0 release.

Documentation available at
https://nwchemgit.github.io

Please use the Github Issues feature to file bugs, feedback, etc ... at
https://github.com/nwchemgit/nwchem/issues

Release notes at
https://raw.githubusercontent.com/nwchemgit/nwchem/hotfix/release-7-0-0/release.notes.7.0.2

The last two files labelled as "Source code" are to be used only by experienced software developers

We recommend to download the file (containing just the source code)
https://github.com/nwchemgit/nwchem/releases/download/v7.0.2-release/nwchem-7.0.2-release.revision-b9985dfa-srconly.2020-10-12.tar.bz2

QA tests, examples and the rest of the release files can be found in
https://github.com/nwchemgit/nwchem/releases/download/v7.0.2-release/nwchem-7.0.2-release.revision-b9985dfa-nonsrconly.2020-10-12.tar.bz2

If you would rather download all the release files at once, please download the 138 MB file
https://github.com/nwchemgit/nwchem/releases/download/v7.0.2-release/nwchem-7.0.2-release.revision-b9985dfa-src.2020-10-12.tar.bz2

Installation instructions for the precompiled packages on Ubuntu Bionic 18.04

sudo apt -y install  python3-dev gfortran  mpi-default-bin mpi-default-dev ssh

curl -LJO https://github.com/nwchemgit/nwchem/releases/download/v7.0.2-release/nwchem-data_7.0.2-1_all.ubuntu_bionic.deb
curl -LJO https://github.com/nwchemgit/nwchem/releases/download/v7.0.2-release/nwchem_7.0.2-1_amd64.ubuntu_bionic.deb
sudo dpkg -i nwchem*7.0.2*bionic*.deb

Installation instructions for the precompiled packages on Ubuntu Focal 20.04

sudo apt -y install  python3-dev gfortran  mpi-default-bin mpi-default-dev ssh

curl -LJO https://github.com/nwchemgit/nwchem/releases/download/v7.0.2-release/nwchem-data_7.0.2-1_all.ubuntu_focal.deb
curl -LJO https://github.com/nwchemgit/nwchem/releases/download/v7.0.2-release/nwchem_7.0.2-1_amd64.ubuntu_focal.deb
sudo dpkg -i nwchem*7.0.2*focal*.deb

Installation instructions for the precompiled packages on Debian Buster 10

sudo apt -y install  python3-dev gfortran  mpi-default-bin mpi-default-dev ssh

curl -LJO https://github.com/nwchemgit/nwchem/releases/download/v7.0.2-release/nwchem-data_7.0.2-1_all.debian_buster.deb
curl -LJO https://github.com/nwchemgit/nwchem/releases/download/v7.0.2-release/nwchem_7.0.2-1_amd64.debian_buster.deb
sudo dpkg -i nwchem*7.0.2*buster*.deb

NWChem 7.0.1

The NWChem 7.0.1 release is now available.
This is a maintenance release that contains fixes to bugs uncovered in the NWChem 7.0.0 release.

Documentation available at
https://nwchemgit.github.io

Please use the Github Issues feature to file bugs, feedback, etc ... at
https://github.com/nwchemgit/nwchem/issues

Release notes at
https://raw.githubusercontent.com/nwchemgit/nwchem/hotfix/release-7-0-0/release.notes.7.0.1

The last two files labelled as "Source code" are to be used only by experienced software developers

We recommend to download the file (containing just the source code)
https://github.com/nwchemgit/nwchem/releases/download/v7.0.1-release/nwchem-7.0.1-release.revision-9d9840c2-srconly.2020-10-08.tar.bz2

QA tests, examples and the rest of the release files can be found in
https://github.com/nwchemgit/nwchem/releases/download/v7.0.1-release/nwchem-7.0.1-release.revision-9d9840c2-nonsrconly.2020-10-08.tar.bz2

If you would rather download all the release files at once, please download the 140 MB file
https://github.com/nwchemgit/nwchem/releases/download/v7.0.1-release/nwchem-7.0.1-release.revision-9d9840c2-src.2020-10-08.tar.bz2

NWChem 7.0.0

The NWChem 7.0.0 release is now available.

Documentation available at
https://github.com/nwchemgit/nwchem/wiki

Please use the Github Issues feature to file bugs, feedback, etc ... at
https://github.com/nwchemgit/nwchem/issues

Release notes at
https://raw.githubusercontent.com/nwchemgit/nwchem/release-7-0-0/release.notes.7.0.0

The last two files labelled as "Source code" are to be used only by experienced software developers

We recommend to download the file (containing just the source code)
https://github.com/nwchemgit/nwchem/releases/download/v7.0.0-release/nwchem-7.0.0-release.revision-2c9a1c7c-srconly.2020-02-26.tar.bz2

QA tests, examples and the rest of the release files can be found in
https://github.com/nwchemgit/nwchem/releases/download/v7.0.0-release/nwchem-7.0.0-release.revision-2c9a1c7c-nonsrconly.2020-02-26.tar.bz2

If you would rather download all the release files at once, please download the 138 MB file
https://github.com/nwchemgit/nwchem/releases/download/v7.0.0-release/nwchem-7.0.0-release.revision-2c9a1c7c-src.2020-02-26.tar.bz2

Installation instructions for the precompiled packages on Ubuntu Xenial

sudo apt -y install curl  python3-dev gfortran  mpi-default-bin mpi-default-dev libopenblas-dev ssh

curl -LJO https://github.com/nwchemgit/nwchem/releases/download/v7.0.0-release/nwchem-data_7.0.0-3_all.ubuntu_xenial.deb
curl -LJO https://github.com/nwchemgit/nwchem/releases/download/v7.0.0-release/nwchem_7.0.0-3_amd64.ubuntu_xenial.deb

sudo dpkg -i nwchem-data_7.0.0-3*_xenial.deb nwchem_7.0.0-3*_xenial.deb

Installation instructions for the precompiled packages on Ubuntu Bionic

sudo apt -y install curl  python3-dev gfortran  mpi-default-bin mpi-default-dev libopenblas-dev ssh

curl -LJO https://github.com/nwchemgit/nwchem/releases/download/v7.0.0-release/nwchem-data_7.0.0-3_all.ubuntu_bionic.deb
curl -LJO https://github.com/nwchemgit/nwchem/releases/download/v7.0.0-release/nwchem_7.0.0-3_amd64.ubuntu_bionic.deb

sudo dpkg -i nwchem-data_7.0.0-3*_bionic.deb nwchem_7.0.0-3*_bionic.deb