Move force_flags.h to mdlib/

One more header out of legacyheaders, only a few remaining.

Change-Id: I02397a5e5664179174e73646ffb11f4b186bdf41

diff --git a/src/gromacs/listed-forces/listed-forces.cpp b/src/gromacs/listed-forces/listed-forces.cpp
index 1b382e9c6a73bdc125577d78546fdf862d84e5b1..6134a18db5a4fae8d32b48a229852d975a05f51e 100644 (file)
--- a/src/gromacs/listed-forces/listed-forces.cpp
+++ b/src/gromacs/listed-forces/listed-forces.cpp
@@ -56,12 +56,12 @@
 #include "gromacs/gmxlib/nrnb.h"
 #include "gromacs/gmxlib/orires.h"
 #include "gromacs/legacyheaders/types/fcdata.h"
-#include "gromacs/legacyheaders/types/force_flags.h"
 #include "gromacs/legacyheaders/types/forcerec.h"
 #include "gromacs/listed-forces/bonded.h"
 #include "gromacs/listed-forces/position-restraints.h"
 #include "gromacs/math/vec.h"
 #include "gromacs/mdlib/force.h"
+#include "gromacs/mdlib/force_flags.h"
 #include "gromacs/mdtypes/inputrec.h"
 #include "gromacs/mdtypes/md_enums.h"
 #include "gromacs/pbcutil/ishift.h"

diff --git a/src/gromacs/mdlib/force.h b/src/gromacs/mdlib/force.h
index a8765ace8a57d82731127e12873e7d4f32f3c53f..92f7592e9ccdf39c78f921cf810d4931b6865af3 100644 (file)
--- a/src/gromacs/mdlib/force.h
+++ b/src/gromacs/mdlib/force.h
@@ -38,8 +38,8 @@
 #define GMX_MDLIB_FORCE_H
 
 #include "gromacs/legacyheaders/types/fcdata.h"
-#include "gromacs/legacyheaders/types/force_flags.h"
 #include "gromacs/legacyheaders/types/forcerec.h"
+#include "gromacs/mdlib/force_flags.h"
 #include "gromacs/mdlib/vsite.h"
 #include "gromacs/timing/wallcycle.h"
 

diff --git a/src/gromacs/legacyheaders/types/force_flags.h b/src/gromacs/mdlib/force_flags.h
similarity index 93%
rename from src/gromacs/legacyheaders/types/force_flags.h
rename to src/gromacs/mdlib/force_flags.h
index b8fd1743cbaa912f80f7bfd8875f5356e9361fc9..c6438f9e786c089b00b8aae9dc978b36b5a2b903 100644 (file)
--- a/src/gromacs/legacyheaders/types/force_flags.h
+++ b/src/gromacs/mdlib/force_flags.h
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2012, The GROMACS development team.
- * Copyright (c) 2012,2014, by the GROMACS development team, led by
+ * Copyright (c) 2012,2014,2015, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -34,15 +34,8 @@
  * To help us fund GROMACS development, we humbly ask that you cite
  * the research papers on the package. Check out http://www.gromacs.org.
  */
-
-#ifndef _force_flags_h
-#define _force_flags_h
-
-
-#ifdef __cplusplus
-extern "C" {
-#endif
-
+#ifndef GMX_MDLIB_FORCE_FLAGS_H
+#define GMX_MDLIB_FORCE_FLAGS_H
 
 /* Flags to tell the force calculation routines what (not) to do */
 
@@ -74,9 +67,4 @@ extern "C" {
 /* Normally one want all energy terms and forces */
 #define GMX_FORCE_ALLFORCES    (GMX_FORCE_LISTED | GMX_FORCE_NONBONDED | GMX_FORCE_FORCES)
 
-
-#ifdef __cplusplus
-}
 #endif
-
-#endif  /* _force_flags_h */

diff --git a/src/gromacs/mdlib/forcerec.h b/src/gromacs/mdlib/forcerec.h
index cb1cef37542ece1cfca829d64452980174625967..738c967f0eb8f73caedc2b03b916869e21d7c921 100644 (file)
--- a/src/gromacs/mdlib/forcerec.h
+++ b/src/gromacs/mdlib/forcerec.h
@@ -37,8 +37,8 @@
 #ifndef GMX_MDLIB_FORCEREC_H
 #define GMX_MDLIB_FORCEREC_H
 
-#include "gromacs/legacyheaders/types/force_flags.h"
 #include "gromacs/legacyheaders/types/forcerec.h"
+#include "gromacs/mdlib/force_flags.h"
 #include "gromacs/mdlib/genborn.h"
 #include "gromacs/mdlib/tgroup.h"
 #include "gromacs/mdlib/vsite.h"

diff --git a/src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda.cu b/src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda.cu
index dc5a14744766f36f1fc3d78e5bf2058832b7caa9..0f7d7f9989273b6c52d808bee8b71b2a660bdacd 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda.cu
+++ b/src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda.cu
@@ -51,7 +51,7 @@
 #include <cuda.h>
 
 #include "gromacs/gmxlib/cuda_tools/cudautils.cuh"
-#include "gromacs/legacyheaders/types/force_flags.h"
+#include "gromacs/mdlib/force_flags.h"
 #include "gromacs/mdlib/nb_verlet.h"
 #include "gromacs/mdlib/nbnxn_consts.h"
 #include "gromacs/mdlib/nbnxn_gpu_data_mgmt.h"

diff --git a/src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_data_mgmt.cu b/src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_data_mgmt.cu
index 10c2e92874a4c55e1c4b48d3fc11cdeab9e1a983..fc5ee1be014a33352284d998ea27458db168f631 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_data_mgmt.cu
+++ b/src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_data_mgmt.cu
@@ -53,9 +53,9 @@
 #include "gromacs/gmxlib/cuda_tools/pmalloc_cuda.h"
 #include "gromacs/gmxlib/gpu_utils/gpu_utils.h"
 #include "gromacs/hardware/gpu_hw_info.h"
-#include "gromacs/legacyheaders/types/force_flags.h"
 #include "gromacs/legacyheaders/types/interaction_const.h"
 #include "gromacs/math/vectypes.h"
+#include "gromacs/mdlib/force_flags.h"
 #include "gromacs/mdlib/nb_verlet.h"
 #include "gromacs/mdlib/nbnxn_consts.h"
 #include "gromacs/mdlib/nbnxn_gpu_data_mgmt.h"

diff --git a/src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_file_generator/nbnxn_kernel_simd_template.cpp.pre b/src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_file_generator/nbnxn_kernel_simd_template.cpp.pre
index a455b2a45329b613ae0cd086b188fee1f998457f..a84dca81578665c4a49686fb4da02662021f03b5 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_file_generator/nbnxn_kernel_simd_template.cpp.pre
+++ b/src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_file_generator/nbnxn_kernel_simd_template.cpp.pre
@@ -51,7 +51,7 @@
 #include "{4}"
 
 #include "gromacs/gmxlib/gmx_omp_nthreads.h"
-#include "gromacs/legacyheaders/types/force_flags.h"
+#include "gromacs/mdlib/force_flags.h"
 #include "gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_common.h"
 #include "gromacs/simd/simd.h"
 #include "gromacs/utility/fatalerror.h"

diff --git a/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn.cpp b/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn.cpp
index de8cf20dfa53f16008b5b3a3fd968761b44d6003..377b539c2eab7b371d2faaa0b6d6710ad280caae 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn.cpp
+++ b/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn.cpp
@@ -60,7 +60,7 @@
 #include "nbnxn_kernel_simd_2xnn.h"
 
 #include "gromacs/gmxlib/gmx_omp_nthreads.h"
-#include "gromacs/legacyheaders/types/force_flags.h"
+#include "gromacs/mdlib/force_flags.h"
 #include "gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_common.h"
 #include "gromacs/simd/simd.h"
 #include "gromacs/utility/fatalerror.h"

diff --git a/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_simd_4xn.cpp b/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_simd_4xn.cpp
index f23cbe5f166470e9a0a9e7d639335df7bf6b6f3d..7fc814fbd4cc162cc577b5cef59d3e9d946c682c 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_simd_4xn.cpp
+++ b/src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_simd_4xn.cpp
@@ -59,7 +59,7 @@
 #include "nbnxn_kernel_simd_4xn.h"
 
 #include "gromacs/gmxlib/gmx_omp_nthreads.h"
-#include "gromacs/legacyheaders/types/force_flags.h"
+#include "gromacs/mdlib/force_flags.h"
 #include "gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_common.h"
 #include "gromacs/simd/simd.h"
 #include "gromacs/utility/fatalerror.h"

diff --git a/src/gromacs/mdlib/nbnxn_ocl/nbnxn_ocl.cpp b/src/gromacs/mdlib/nbnxn_ocl/nbnxn_ocl.cpp
index 93acf0d5421392ac96ad27fcc0d50a7c9a2a5d58..3627cbc6d23aaf475d3ae017c4b0d8113f63d573 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_ocl/nbnxn_ocl.cpp
+++ b/src/gromacs/mdlib/nbnxn_ocl/nbnxn_ocl.cpp
@@ -53,7 +53,7 @@
 
 #include "gromacs/gmxlib/ocl_tools/oclutils.h"
 #include "gromacs/hardware/hw_info.h"
-#include "gromacs/legacyheaders/types/force_flags.h"
+#include "gromacs/mdlib/force_flags.h"
 #include "gromacs/mdlib/nb_verlet.h"
 #include "gromacs/mdlib/nbnxn_consts.h"
 #include "gromacs/mdlib/nbnxn_pairlist.h"

diff --git a/src/gromacs/mdlib/nbnxn_ocl/nbnxn_ocl_data_mgmt.cpp b/src/gromacs/mdlib/nbnxn_ocl/nbnxn_ocl_data_mgmt.cpp
index 8b83979ef42602634af536349ad990a3b02d7f74..81f7e844871039c79ba5e9f579d9d3a765d8e02d 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_ocl/nbnxn_ocl_data_mgmt.cpp
+++ b/src/gromacs/mdlib/nbnxn_ocl/nbnxn_ocl_data_mgmt.cpp
@@ -52,9 +52,9 @@
 #include "gromacs/gmxlib/gpu_utils/gpu_utils.h"
 #include "gromacs/gmxlib/ocl_tools/oclutils.h"
 #include "gromacs/hardware/gpu_hw_info.h"
-#include "gromacs/legacyheaders/types/force_flags.h"
 #include "gromacs/legacyheaders/types/interaction_const.h"
 #include "gromacs/math/vectypes.h"
+#include "gromacs/mdlib/force_flags.h"
 #include "gromacs/mdlib/nb_verlet.h"
 #include "gromacs/mdlib/nbnxn_consts.h"
 #include "gromacs/mdlib/nbnxn_gpu.h"

diff --git a/src/programs/mdrun/md.cpp b/src/programs/mdrun/md.cpp
index eeb762529099b2cb74b57d173e5e4687475b4b96..8e3c58e3f6509d3a94e637527cdf803b05ede6b9 100644 (file)
--- a/src/programs/mdrun/md.cpp
+++ b/src/programs/mdrun/md.cpp
@@ -61,7 +61,6 @@
 #include "gromacs/imd/imd.h"
 #include "gromacs/legacyheaders/types/commrec.h"
 #include "gromacs/legacyheaders/types/fcdata.h"
-#include "gromacs/legacyheaders/types/force_flags.h"
 #include "gromacs/legacyheaders/types/forcerec.h"
 #include "gromacs/legacyheaders/types/interaction_const.h"
 #include "gromacs/listed-forces/manage-threading.h"
@@ -72,6 +71,7 @@
 #include "gromacs/mdlib/constr.h"
 #include "gromacs/mdlib/ebin.h"
 #include "gromacs/mdlib/force.h"
+#include "gromacs/mdlib/force_flags.h"
 #include "gromacs/mdlib/forcerec.h"
 #include "gromacs/mdlib/md_support.h"
 #include "gromacs/mdlib/mdatoms.h"