I'm trying to install the latest free version of charmm (45b2) interfaced to GAMESS-UK on Red Hat linux, but I run into some issues.
First off, the fact that you have to use install.com which is deprecated is concerning, but more problematically there is no makefile generated for GAMESS-UK in the build directory.
Running (with gcc 4.8.5)
or with PGI version 16.7 or 19.7
./install.com gnu PGF95 U
to link GAMESS-UK, we just get the error
make: guk.mk: No such file or directory
make: *** No rule to make target `guk.mk'. Stop.
because there is no guk.mk file generated.
All the documentation I can find on the CHARMM/GAMESS-UK interface is fairly old, so I was wondering if anyone has any knowledge about the current state of the interface, or if I am perhaps missing something obvious?
I have followed the instructions, in terms of setting up the GAMESS-UK directory and charmm_configure etc., but the build doesn't even get far enough for that to be the trouble!