Date Tags python

horton is a development platform for electronic structure methods. It can do electronic density partition with different methods. I am trying to install it on killdevil, now.

Here is how I use it on killdevil.

module load anaconda
module load gcc/4.8.1
source activate my_root
cd ~/software
mkdir horton
cd horton
wget https://github.com/theochem/horton/releases/download/1.2.1/horton-1.2.1.tar.gz
tar -xzvf horton-1.2.1.tar.gz
cd horton-1.2.1

I think anaconda has all packages needed for horton.

Then I do.

cd depends
make libint
make libxc
cd ..
./setup.py install --user

After I do the tests,

cd ~
nosetests -v horton

I got,

----------------------------------------------------------------------
Ran 755 tests in 386.921s

OK

This means I have succesfully install horton.