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NWChem 7.2.0
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@edoapra edoapra released this 10 Mar 23:31
v7.2.0-release
d0d141f
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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"
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