Contrib nwchem 6.3 intel2014b

[hajgato]

Easyblock easybuilders/easybuild-easyblocks#441 is needed for compilation.

[hpcugentbot]

Automatic reply from Jenkins: Can I test this?

[wpoely86]

ok to test

[boegel]

@hajgato: can you sync this with current develop? you'll need to fix conflicts, since the merge is broken

If you're not sure how to handle that, let me know, I can do it for you and issue a PR to your branch.

[hajgato]

Am am not sure how to do that.

[boegel]

In short:

git checkout develop
git pull origin develop   # assuming origin points to hpcugent
git checkout contrib_nwchem_6.3_intel2014b
git merge develop
# fix conflicts by editing files
gc -a

And then push again to your repo. I've done this now, in this case there were no conflicts (git will tell you if there are). So, I'm not quite sure why the merge was broken.
I've done this for you, see hajgato#2

[boegel]

Test report by @boegel
SUCCESS
Build succeeded for 1 out of 1
Linux SL 6.5, Intel(R) Xeon(R) CPU E5-2670 0 @ 2.60GHz, Python 2.6.6
See https://gist.github.com/7e1a10894268403e15d6 for a full test report.

[boegel]

Tested on top of easybuilders/easybuild-easyblocks#441, looking excellent, thanks @hajgato!