Remove unnecessary includes from domdec.h

Change-Id: I0d1e1d8ebc52a60b3b939525b61952980b46d673

diff --git a/src/gromacs/domdec/domdec.h b/src/gromacs/domdec/domdec.h
index 44f61a0372d2495b18d24f8c13b57649b091ba9d..81f836ab3439d274615e891b168714a194040f9b 100644 (file)
--- a/src/gromacs/domdec/domdec.h
+++ b/src/gromacs/domdec/domdec.h
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2005,2006,2007,2008,2009,2010,2012,2013,2014,2015,2016,2017, by the GROMACS development team, led by
+ * Copyright (c) 2005,2006,2007,2008,2009,2010,2012,2013,2014,2015,2016,2017,2018, 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.
@@ -58,29 +58,30 @@
 #ifndef GMX_DOMDEC_DOMDEC_H
 #define GMX_DOMDEC_DOMDEC_H
 
-#include <stdio.h>
-
 #include <vector>
 
-#include "gromacs/gmxlib/nrnb.h"
+#include "gromacs/math/paddedvector.h"
 #include "gromacs/math/vectypes.h"
-#include "gromacs/mdlib/vsite.h"
-#include "gromacs/mdtypes/forcerec.h"
-#include "gromacs/mdtypes/mdatom.h"
 #include "gromacs/timing/wallcycle.h"
-#include "gromacs/topology/block.h"
-#include "gromacs/topology/idef.h"
-#include "gromacs/topology/topology.h"
 #include "gromacs/utility/arrayref.h"
 #include "gromacs/utility/basedefinitions.h"
 #include "gromacs/utility/real.h"
 
+struct cginfo_mb_t;
 struct gmx_domdec_t;
 struct gmx_ddbox_t;
 struct gmx_domdec_zones_t;
+struct gmx_localtop_t;
+struct gmx_mtop_t;
+struct gmx_vsite_t;
 struct MdrunOptions;
+struct t_block;
+struct t_blocka;
 struct t_commrec;
+struct t_forcerec;
 struct t_inputrec;
+struct t_mdatoms;
+struct t_nrnb;
 class t_state;
 
 namespace gmx

diff --git a/src/gromacs/domdec/domdec_box.cpp b/src/gromacs/domdec/domdec_box.cpp
index 257ceaec646b65933b2dbdd149f5dd72197d1f7b..c5c3018c6a7d1c18a93db15f1133abfa5e75e724 100644 (file)
--- a/src/gromacs/domdec/domdec_box.cpp
+++ b/src/gromacs/domdec/domdec_box.cpp
@@ -54,6 +54,7 @@
 #include "gromacs/mdtypes/commrec.h"
 #include "gromacs/mdtypes/inputrec.h"
 #include "gromacs/pbcutil/pbc.h"
+#include "gromacs/topology/block.h"
 #include "gromacs/utility/fatalerror.h"
 
 /*! \brief Calculates the average and standard deviation in 3D of n charge groups */

diff --git a/src/gromacs/domdec/domdec_constraints.cpp b/src/gromacs/domdec/domdec_constraints.cpp
index c20440a276632211f0d628470c58ed7319d76b85..01ce45282e01d4ff505e5576ffbfba5830ef91c4 100644 (file)
--- a/src/gromacs/domdec/domdec_constraints.cpp
+++ b/src/gromacs/domdec/domdec_constraints.cpp
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2006,2007,2008,2009,2010,2012,2013,2014,2015,2016,2017, by the GROMACS development team, led by
+ * Copyright (c) 2006,2007,2008,2009,2010,2012,2013,2014,2015,2016,2017,2018, 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.
@@ -58,6 +58,7 @@
 #include "gromacs/mdlib/constr.h"
 #include "gromacs/mdlib/gmx_omp_nthreads.h"
 #include "gromacs/mdtypes/commrec.h"
+#include "gromacs/mdtypes/forcerec.h" // only for GET_CGINFO_*
 #include "gromacs/pbcutil/ishift.h"
 #include "gromacs/topology/mtop_lookup.h"
 #include "gromacs/utility/exceptions.h"

diff --git a/src/gromacs/domdec/domdec_setup.cpp b/src/gromacs/domdec/domdec_setup.cpp
index 69956c9a8395cfb2207b528737458997a939be7f..f22e7ecf092ad43bc2babceaa91632233b5b00c1 100644 (file)
--- a/src/gromacs/domdec/domdec_setup.cpp
+++ b/src/gromacs/domdec/domdec_setup.cpp
@@ -60,6 +60,7 @@
 #include "gromacs/mdtypes/inputrec.h"
 #include "gromacs/mdtypes/md_enums.h"
 #include "gromacs/pbcutil/pbc.h"
+#include "gromacs/topology/topology.h"
 #include "gromacs/utility/fatalerror.h"
 #include "gromacs/utility/smalloc.h"
 

diff --git a/src/gromacs/domdec/domdec_topology.cpp b/src/gromacs/domdec/domdec_topology.cpp
index 262e68951e869f3103e8b040ce642fefdd338743..a69806d985a75b0ff202780a66d377ca8ffc9091 100644 (file)
--- a/src/gromacs/domdec/domdec_topology.cpp
+++ b/src/gromacs/domdec/domdec_topology.cpp
@@ -67,6 +67,7 @@
 #include "gromacs/mdtypes/commrec.h"
 #include "gromacs/mdtypes/inputrec.h"
 #include "gromacs/mdtypes/md_enums.h"
+#include "gromacs/mdtypes/mdatom.h"
 #include "gromacs/mdtypes/state.h"
 #include "gromacs/pbcutil/mshift.h"
 #include "gromacs/pbcutil/pbc.h"

diff --git a/src/gromacs/mdlib/clincs.cpp b/src/gromacs/mdlib/clincs.cpp
index 4971edc0bb25315c72c7db21d92985f9053a5fda..4ed5320ca7ed3c04e4734ff7ebe55aea6229b343 100644 (file)
--- a/src/gromacs/mdlib/clincs.cpp
+++ b/src/gromacs/mdlib/clincs.cpp
@@ -58,6 +58,7 @@
 #include "gromacs/mdtypes/commrec.h"
 #include "gromacs/mdtypes/inputrec.h"
 #include "gromacs/mdtypes/md_enums.h"
+#include "gromacs/mdtypes/mdatom.h"
 #include "gromacs/pbcutil/pbc.h"
 #include "gromacs/pbcutil/pbc-simd.h"
 #include "gromacs/simd/simd.h"

diff --git a/src/gromacs/mdlib/constr.cpp b/src/gromacs/mdlib/constr.cpp
index 452c156ff02f4b184f7e5fc745d65eab1add2513..d41c33e11f0f53ec54da5b8d1b3bfb9c8d621bc7 100644 (file)
--- a/src/gromacs/mdlib/constr.cpp
+++ b/src/gromacs/mdlib/constr.cpp
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2016,2017, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2017,2018, 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.
@@ -60,6 +60,7 @@
 #include "gromacs/mdtypes/commrec.h"
 #include "gromacs/mdtypes/inputrec.h"
 #include "gromacs/mdtypes/md_enums.h"
+#include "gromacs/mdtypes/mdatom.h"
 #include "gromacs/mdtypes/state.h"
 #include "gromacs/pbcutil/pbc.h"
 #include "gromacs/pulling/pull.h"

diff --git a/src/gromacs/mdlib/expanded.cpp b/src/gromacs/mdlib/expanded.cpp
index cd1b2981de77bce2f68d876c924630fc9443ae80..e4330ed5ba89302638569e3e9194713f49af9226 100644 (file)
--- a/src/gromacs/mdlib/expanded.cpp
+++ b/src/gromacs/mdlib/expanded.cpp
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2012,2013,2014,2015,2016,2017, by the GROMACS development team, led by
+ * Copyright (c) 2012,2013,2014,2015,2016,2017,2018, 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.
@@ -60,6 +60,7 @@
 #include "gromacs/mdlib/update.h"
 #include "gromacs/mdtypes/inputrec.h"
 #include "gromacs/mdtypes/md_enums.h"
+#include "gromacs/mdtypes/mdatom.h"
 #include "gromacs/mdtypes/state.h"
 #include "gromacs/random/threefry.h"
 #include "gromacs/random/uniformrealdistribution.h"

diff --git a/src/gromacs/mdlib/mdoutf.cpp b/src/gromacs/mdlib/mdoutf.cpp
index 9d91152c84b77ce2767bf55521e3c0a91f43b03a..f82d63f54b991febbc15831d66eec85bbe15e0c5 100644 (file)
--- a/src/gromacs/mdlib/mdoutf.cpp
+++ b/src/gromacs/mdlib/mdoutf.cpp
@@ -54,6 +54,7 @@
 #include "gromacs/mdtypes/md_enums.h"
 #include "gromacs/mdtypes/state.h"
 #include "gromacs/timing/wallcycle.h"
+#include "gromacs/topology/topology.h"
 #include "gromacs/utility/fatalerror.h"
 #include "gromacs/utility/pleasecite.h"
 #include "gromacs/utility/smalloc.h"

diff --git a/src/gromacs/mdlib/nbnxn_atomdata.cpp b/src/gromacs/mdlib/nbnxn_atomdata.cpp
index 10c5e89331930ab14eee1b71c4502e6282984bfb..5c45f4b496448d67f6dce94c53c2dd1f76df32a2 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_atomdata.cpp
+++ b/src/gromacs/mdlib/nbnxn_atomdata.cpp
@@ -56,6 +56,8 @@
 #include "gromacs/mdlib/nbnxn_internal.h"
 #include "gromacs/mdlib/nbnxn_search.h"
 #include "gromacs/mdlib/nbnxn_util.h"
+#include "gromacs/mdtypes/forcerec.h" // only for GET_CGINFO_*
+#include "gromacs/mdtypes/mdatom.h"
 #include "gromacs/pbcutil/ishift.h"
 #include "gromacs/simd/simd.h"
 #include "gromacs/utility/exceptions.h"

diff --git a/src/gromacs/mdlib/nbnxn_grid.cpp b/src/gromacs/mdlib/nbnxn_grid.cpp
index 7347ddc018dc5a5eb588d7cf17baf606a8a8d119..d3aaf34603795006e56d484aafb57a86c1d8a6af 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_grid.cpp
+++ b/src/gromacs/mdlib/nbnxn_grid.cpp
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2012,2013,2014,2015,2016,2017, by the GROMACS development team, led by
+ * Copyright (c) 2012,2013,2014,2015,2016,2017,2018, 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.
@@ -54,6 +54,7 @@
 #include "gromacs/mdlib/nbnxn_internal.h"
 #include "gromacs/mdlib/nbnxn_search.h"
 #include "gromacs/mdlib/nbnxn_util.h"
+#include "gromacs/mdtypes/forcerec.h" // only for GET_CGINFO_*
 #include "gromacs/simd/simd.h"
 #include "gromacs/simd/vector_operations.h"
 #include "gromacs/utility/exceptions.h"

diff --git a/src/gromacs/mdlib/nbnxn_search.cpp b/src/gromacs/mdlib/nbnxn_search.cpp
index 6fd9b660b995350fcc2b62a859a920999e104227..dddb8ba89e205b5f3db5949482844b0304950381 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_search.cpp
+++ b/src/gromacs/mdlib/nbnxn_search.cpp
@@ -66,6 +66,7 @@
 #include "gromacs/pbcutil/pbc.h"
 #include "gromacs/simd/simd.h"
 #include "gromacs/simd/vector_operations.h"
+#include "gromacs/topology/block.h"
 #include "gromacs/utility/exceptions.h"
 #include "gromacs/utility/fatalerror.h"
 #include "gromacs/utility/gmxomp.h"

diff --git a/src/gromacs/mdlib/nsgrid.cpp b/src/gromacs/mdlib/nsgrid.cpp
index 1252a1a66bb4148fce0b65c4b98beea6135c2f76..8bada3b28959ed1215e0fa34a51d8875a2a836fc 100644 (file)
--- a/src/gromacs/mdlib/nsgrid.cpp
+++ b/src/gromacs/mdlib/nsgrid.cpp
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2017, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2017,2018, 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.
@@ -51,6 +51,7 @@
 #include "gromacs/fileio/pdbio.h"
 #include "gromacs/gmxlib/network.h"
 #include "gromacs/math/vec.h"
+#include "gromacs/mdtypes/forcerec.h"
 #include "gromacs/pbcutil/pbc.h"
 #include "gromacs/utility/fatalerror.h"
 #include "gromacs/utility/futil.h"

diff --git a/src/gromacs/mdlib/vsite.cpp b/src/gromacs/mdlib/vsite.cpp
index fa2a80dd1a0c3d65fab35ed3420dae87407c3281..fc6b913bc061faf36b376b356859845b5dfe306f 100644 (file)
--- a/src/gromacs/mdlib/vsite.cpp
+++ b/src/gromacs/mdlib/vsite.cpp
@@ -51,11 +51,13 @@
 #include "gromacs/math/vec.h"
 #include "gromacs/mdlib/gmx_omp_nthreads.h"
 #include "gromacs/mdtypes/commrec.h"
+#include "gromacs/mdtypes/mdatom.h"
 #include "gromacs/pbcutil/ishift.h"
 #include "gromacs/pbcutil/mshift.h"
 #include "gromacs/pbcutil/pbc.h"
 #include "gromacs/topology/ifunc.h"
 #include "gromacs/topology/mtop_util.h"
+#include "gromacs/topology/topology.h"
 #include "gromacs/utility/exceptions.h"
 #include "gromacs/utility/fatalerror.h"
 #include "gromacs/utility/gmxassert.h"

diff --git a/src/programs/mdrun/repl_ex.cpp b/src/programs/mdrun/repl_ex.cpp
index b590495f81701838f73e5b28f4a03866fb01ae2e..a1a815b70438d8b81082107a34292b7482f122f5 100644 (file)
--- a/src/programs/mdrun/repl_ex.cpp
+++ b/src/programs/mdrun/repl_ex.cpp
@@ -51,6 +51,7 @@
 #include "gromacs/math/vec.h"
 #include "gromacs/mdlib/main.h"
 #include "gromacs/mdtypes/commrec.h"
+#include "gromacs/mdtypes/forcerec.h" // only for gmx_enerdata_t
 #include "gromacs/mdtypes/inputrec.h"
 #include "gromacs/mdtypes/md_enums.h"
 #include "gromacs/mdtypes/state.h"