i7 for sure. You need lots of threads. I would invest in lots of cooling, some fans and a good heatsink as well as a good case. For HDD's I'd get a cheap SSD and store whatever you're working on at the time on it and a decent sized storage HDD (500GB). As far as graphics go get a GTX260 as it has better power consumption specs, although 4890's so seem to be coming on sale often.
EDIT: And Nvidia's CUDA technology seems like it would be good to have for someone doing what you're doing.
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