[gmx-users] build nuance in gmx5 (avoiding "file INSTALL cannot find gmx")

[Christopher Neale]

Dear Users:

This is just a note about compiling gromacs 5 so that the solution can be found by others if they need it.

I used to compile gromacs like this:

download and unpack tarball
cd gromacs-5.0.5
mkdir source
mv * source
mkdir exec
cd exec
** run my build script from here, using CMAKE_INSTALL_PREFIX=$(pwd)

However, that no longer works. What happens is that "make" creates ./bin/gmx and then "make install" removes ./bin/gmx and then complains that it does not exist:

CMake Error at src/programs/cmake_install.cmake:42 (file):
  file INSTALL cannot find
  "/project2/p/pomes/cneale/GPC/exe/intel/gromacs-5.0.5/exec/bin/gmx".
Call Stack (most recent call first):
  src/cmake_install.cmake:40 (include)
  cmake_install.cmake:48 (include)

My solution was to build in a separate directory from either the source or the executable:
download and unpack tarball
cd gromacs-5.0.5
mkdir source
mv * source
mkdir exec build
cd build
** run my build script from here, using CMAKE_INSTALL_PREFIX=$(pwd)/../exec

Perhaps this is standard practice. Anyway, my original procedure works for gmx4.6.7 but not gmx5.0.5 so I thought I would report it.

Note that this is separate from the issue that some have reported where a CMAKE_INSTALL_PREFIX using $(pwd) did not install but using the explicit path worked (I tested the explicit paths and got the same error that I report above).

Chris.