HOWTO: compiling nwchem-6.5 beta on Ubuntu 14.04 x86-64

From NWChem

You are viewing a single post from the thread title above
Jump to: navigation, search

Click here for full thread
Forum Vet
Threads 10
Posts 1643
Quote:Mernst Aug 28th 11:00 pm

You will need to get the beta code from the Subversion repository:
svn checkout nwchem-6.5

You will also need to get the latest NWChem development snapshot:

You need both because the src/tools/ directory is not populated in the code you check out from subversion, and you will need to replace it from the corresponding subdirectory in the snapshot. If you have nwchem-6.5 and Nwchem-dev.revision26027-src.2014-08-28.tar.gz in the same directory, do it like this:

tar xzvf Nwchem-dev.revision26027-src.2014-08-28.tar.gz
cd nwchem-6.5
rm -rf src/tools
cp -r ../Nwchem-dev.revision26027-src.2014-08-28/src/tools src


Please do NOT suggest replace the tools directory with the tools directory NWChem development snapshot since it will overwrite important fixes. The get-tools script will download the required patched ga-5-3 tarball as explained in

Cheers, Edo

Who's here now Members 0 Guests 0 Bots/Crawler 0

AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC