Compiling NWChem 6.6 (ubuntu 14.04)

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Quote:Vladimir Sep 30th 9:42 am

Thanks for advice Edo, tomorrow I will try to test it.

But I want to add that before compiling NWCHEM I have installed the following packages on Ubuntu 14.04 (from scratch):

sudo apt-get install build-essential
sudo apt-get install python-dev zlib1g-dev libssl-dev gfortran
sudo apt-get install libopenblas-dev
sudo apt-get install libopenmpi-dev openmpi-bin
sudo apt-get install csh
NOT NEEDED sudo ln -s /usr/lib/python2.7/config-x86_64-linux-gnu /usr/lib/python2.7/config


The symbolic link step should NOT be needed (sudo ln -s /usr/lib/python2.7/config-x86_64-linux-gnu /usr/lib/python2.7/config)

Once you set PYTHONHOME, PYTHONVERSION and USE_PYTHONCONFIG, all the required libraries should be taken care of

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