I’ve been diving back into computational chemistry programs in the last couple of days. There should be some sort of law that says all scientists must hire a real programmer to maintain their programs. I’m trying to get a couple of programs working, called MOPAC and Tinker — both of which are in Fortran, of course.
I know MOPAC used to compile a couple of years ago, but no longer — and nobody’s updated it, and nobody’s fixed it that I can find. The only distribution I’ve found besides the public domain stuff is FreeBSD, and MOPAC’s marked broken on >=5.0.
As for Tinker, well … I can’t even untar the source. My system is broken somehow, and I have no clue what the cause is. But the source is all up on its homepage, and the build process is incredibly obscure.