cp2k, atomistic modelling.

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Cp2k: Atomistic and molecular simulations:
I happened to have met cp2k a few weeks ago at a short summer school, and like most research software, it can be an uphill task to install it, and to make matters worse, this one has a reputation for being hard to install.
So this is my little attempt to remember how got the serial compilation done on my fedora 16 desktop, using the latest gfortran + scalapack + openmpi + blas + lapack+ blas + blacs available on fedora 16 repos in mid june 2012.
First things first we start with updating the system:
and then we get some stuff that might not be present:
finally the scientific-sounding application libraries install;
But as always what you need may vary from distro to distro:
Once all that is done, we now get the cp2k code via svn
once that is done, navigate to the cp2k base directory and find the arch subdirectory:
arch COPYRIGHT cuda_tools doc exe INSTALL lib machine makefiles obj README src tests tools web
So far so good, now we need to ensure that we have a file under the arch directory that looks like this:
This is basically what came with the code going by the name Linux-x86-64-gfortran.sopt , so we now compile, and cross our fingers:

and presto after a little while, were done and an executable residing under the exe directory is created So what are you waiting for? Run it!
Here is a little of the final lines of my output:
if it runs, then your doing pretty well. Congratulate yourself and get a cup of tea. cheers!