Compiling NWChem 6.6 (ubuntu 14.04)

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Quote:Edoapra Sep 30th 10:26 pm
Plesase set the env. variable USE_PYTHONCONFIG=Y

Once this variable is set, all the linking bits should be picked up.

At what stage does the NWChem python interface require libz? Most of my development occurs on a ubuntu 14.04 box and I have not seen this failure.
If you really need any extra library, you can add it to BLASOPT (as a temporary fix)


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
sudo ln -s /usr/lib/python2.7/config-x86_64-linux-gnu /usr/lib/python2.7/config

Vladimir
Edited On 9:45:41 AM PDT - Wed, Sep 30th 2015 by Vladimir


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