Move more preprocessing files into the module
authorMark Abraham <mark.j.abraham@gmail.com>
Fri, 17 Jan 2014 16:38:47 +0000 (17:38 +0100)
committerRoland Schulz <roland@utk.edu>
Tue, 21 Jan 2014 18:37:25 +0000 (13:37 -0500)
commit2b85adec8fe7d13328a1d7bf92b736fc74924727
treea9912049cd3af74f8edaf89f414f4f2f03cd066a
parenteb17292aed36818430af2ce31807f97957bb8131
Move more preprocessing files into the module

This removes the need for the gmx_objlib CMake object library, because
there is no longer random functionality orphaned in src/programs/gmx
(which is there because it was orphaned in src/kernel in release-4-6).

Moved legacyheaders/grompp.h to gmxpreprocess/grompp-impl.h since it
only declared structures that are (now) only used in that module (and
it no longer #includes stdio.h). gmxpreprocess/grompp.h now only
declares gmx_grompp().

Likewise, pdb2gmx, protonate and x2top now have their own
single-function headers.

Removed useless declaration of ncontrol from h_db.h

Removed grompp.h-related useless dependencies, declarations and
definitions from Generalized Born files.

Updated include and added C++ guards for files already within the
module (and new ones). Uncrustified, bumped copyrights

Refs #1415

Change-Id: Ie7967d7d7f61df684d530e3c2d982486a3cd128f
61 files changed:
src/gromacs/gmxpreprocess/add_par.c
src/gromacs/gmxpreprocess/add_par.h
src/gromacs/gmxpreprocess/calc_verletbuf.h
src/gromacs/gmxpreprocess/compute_io.h
src/gromacs/gmxpreprocess/convparm.c [moved from src/programs/gmx/convparm.c with 100% similarity]
src/gromacs/gmxpreprocess/convparm.h [moved from src/programs/gmx/convparm.h with 82% similarity]
src/gromacs/gmxpreprocess/fflibutil.h
src/gromacs/gmxpreprocess/gen_ad.h
src/gromacs/gmxpreprocess/gen_vsite.h
src/gromacs/gmxpreprocess/genhydro.h
src/gromacs/gmxpreprocess/gmxcpp.h
src/gromacs/gmxpreprocess/gpp_atomtype.h
src/gromacs/gmxpreprocess/gpp_bond_atomtype.h
src/gromacs/gmxpreprocess/gpp_nextnb.h
src/gromacs/gmxpreprocess/grompp-impl.h [moved from src/gromacs/legacyheaders/grompp.h with 97% similarity]
src/gromacs/gmxpreprocess/grompp.c [moved from src/programs/gmx/grompp.c with 99% similarity]
src/gromacs/gmxpreprocess/grompp.h [new file with mode: 0644]
src/gromacs/gmxpreprocess/h_db.c
src/gromacs/gmxpreprocess/h_db.h
src/gromacs/gmxpreprocess/hackblock.h
src/gromacs/gmxpreprocess/hizzie.c [moved from src/programs/gmx/hizzie.c with 99% similarity]
src/gromacs/gmxpreprocess/hizzie.h [moved from src/programs/gmx/hizzie.h with 86% similarity]
src/gromacs/gmxpreprocess/nm2type.c [moved from src/programs/gmx/nm2type.c with 100% similarity]
src/gromacs/gmxpreprocess/nm2type.h [moved from src/programs/gmx/nm2type.h with 85% similarity]
src/gromacs/gmxpreprocess/pdb2gmx.c [moved from src/programs/gmx/pdb2gmx.c with 99% similarity]
src/gromacs/gmxpreprocess/pdb2gmx.h [new file with mode: 0644]
src/gromacs/gmxpreprocess/pdb2top.h
src/gromacs/gmxpreprocess/pgutil.h
src/gromacs/gmxpreprocess/protonate.c [moved from src/programs/gmx/g_protonate.c with 98% similarity]
src/gromacs/gmxpreprocess/protonate.h [moved from src/programs/gmx/legacycmainfunctions.h with 79% similarity]
src/gromacs/gmxpreprocess/readir.h
src/gromacs/gmxpreprocess/resall.h
src/gromacs/gmxpreprocess/specbond.c [moved from src/programs/gmx/specbond.c with 100% similarity]
src/gromacs/gmxpreprocess/specbond.h [moved from src/programs/gmx/specbond.h with 83% similarity]
src/gromacs/gmxpreprocess/ter_db.h
src/gromacs/gmxpreprocess/tomorse.c [moved from src/programs/gmx/tomorse.c with 99% similarity]
src/gromacs/gmxpreprocess/tomorse.h [moved from src/programs/gmx/tomorse.h with 86% similarity]
src/gromacs/gmxpreprocess/topdirs.c
src/gromacs/gmxpreprocess/topdirs.h
src/gromacs/gmxpreprocess/topexcl.h
src/gromacs/gmxpreprocess/topio.c
src/gromacs/gmxpreprocess/topio.h
src/gromacs/gmxpreprocess/toppush.h
src/gromacs/gmxpreprocess/topshake.h
src/gromacs/gmxpreprocess/toputil.c
src/gromacs/gmxpreprocess/toputil.h
src/gromacs/gmxpreprocess/vsite_parm.h
src/gromacs/gmxpreprocess/x2top.c [moved from src/programs/gmx/g_x2top.c with 99% similarity]
src/gromacs/gmxpreprocess/x2top.h [new file with mode: 0644]
src/gromacs/gmxpreprocess/xlate.c [moved from src/programs/gmx/xlate.c with 100% similarity]
src/gromacs/gmxpreprocess/xlate.h [moved from src/programs/gmx/xlate.h with 80% similarity]
src/gromacs/legacyheaders/genborn.h
src/gromacs/mdlib/genborn.c
src/gromacs/mdlib/genborn_sse2_double.c
src/gromacs/mdlib/genborn_sse2_double.h
src/gromacs/mdlib/genborn_sse2_single.c
src/gromacs/mdlib/genborn_sse2_single.h
src/programs/CMakeLists.txt
src/programs/gmx/legacymodules.cpp
src/programs/mdrun/tests/CMakeLists.txt
src/programs/mdrun/tests/moduletest.cpp