Fix mdrun-only build
authorMark Abraham <mark.j.abraham@gmail.com>
Fri, 13 Feb 2015 18:13:02 +0000 (18:13 +0000)
committerMark Abraham <mark.j.abraham@gmail.com>
Fri, 13 Feb 2015 18:29:42 +0000 (18:29 +0000)
commit64f1d5674fdd79045b87e1c54ac093bffdc226fc
tree0b7348a1164977fc83a94a11ab7d3269ca594027
parente4217b9706b47748090a300589ae23c71a857938
Fix mdrun-only build

The GMX_BUILD_ONLY_MDRUN build now does not include
the gmxpreprocess module. Some Verlet-scheme code moved
to mdlib because it it used in mdrun and grompp.

gmx membed uses a utility function otherwise used only in
gmxpreprocess, but the error message it gives is wrong for the gmx
membed context, so I duplicated the function definition for now. Noted
TODOs for future clean up.

Fixes #1683

Change-Id: Ibc1291e88151f8d5befac2b1840a41402272a05f
src/gromacs/CMakeLists.txt
src/gromacs/gmxpreprocess/grompp.c
src/gromacs/gmxpreprocess/readir.c
src/gromacs/mdlib/calc_verletbuf.c [moved from src/gromacs/gmxpreprocess/calc_verletbuf.c with 99% similarity]
src/gromacs/mdlib/calc_verletbuf.h [moved from src/gromacs/gmxpreprocess/calc_verletbuf.h with 95% similarity]
src/gromacs/mdlib/compute_io.c [moved from src/gromacs/gmxpreprocess/compute_io.c with 98% similarity]
src/gromacs/mdlib/compute_io.h [moved from src/gromacs/gmxpreprocess/compute_io.h with 93% similarity]
src/programs/mdrun/md.cpp
src/programs/mdrun/membed.c
src/programs/mdrun/runner.cpp