00mjk / vaspmetamake

A hopefully temporary overlord to build VASP from source.

VASP Metamakefile

NB: Sometime around version 5.3, most of the things this implements were added (presumably independently) to the supplied VASP Makefile, making this mostly obsolete.

So, we were having some problems building VASP, and at some point I figured it would be easier to make a Makefile to build everything rather than have to tweak individual makefiles provided with the source each time.

This Makefile thus unpacks the source bundles, and attempts to build 6 versions using serial and parallel, and the 3 different options for charge reduction. Hopefully it should be easy enough to edit; it's not very cunning.

In the simplest case, to use, just have a vasp.5.x.x.tar.gz and vasp.5.lib.tar.gz source package in the current working directory, and enter:

make -f MetaMakefile

Since the 6 different versions can be built in parallel, though, you may want to use:

make -f MetaMakefile -j 6

Or something like that. The individual VASP builds can't be parallelised because there are unresolved dependencies, but this is handled by the MetaMakefile, which only uses -j 1 for each VASP make.