| 12:30:37 PM PDT - Thu, Jun 5th 2014 |
|
Hi Dave,
I assume that Debian will just install an NWChem executable (I would be surprised if by default they would work of a source code distribution). In that case you cannot apply the patch to your installation. However there are two alternatives:
1. Get the latest development snapshot from the Download page and compile NWChem yourself (you will only need to apply the first patch to that source code, the second patch is already included).
2. Get the source code directly from the source code repository (then you need not apply any patches).
For option 1 there are compilation instructions in the documentation (I recommend using the build_nwchem script as I guess that is easiest). For option 2 I can provide instructions, just send me an email at Hubertus dot vanDam at pnnl dot gov.
Best wishes, Huub
|