Improved dependencies on maths includes

Our physics.h should have a dependency on our maths header for
PI.

Made explicit some dependencies on system math.h that were being
covered transitively.

Change-Id: I5a35ff10860a84688bfe73260acbd63166f4caec

diff --git a/src/gromacs/fileio/tngio_for_tools.cpp b/src/gromacs/fileio/tngio_for_tools.cpp
index eea391694a204f641ea009b7b6b4686f257da283..9d74bcd7e0d0cf8c783f87d8903aa1cdf21b439c 100644 (file)
--- a/src/gromacs/fileio/tngio_for_tools.cpp
+++ b/src/gromacs/fileio/tngio_for_tools.cpp
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2013, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014, 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.
@@ -38,6 +38,8 @@
 #include <config.h>
 #endif
 
+#include <math.h>
+
 #include "tngio.h"
 #include "trx.h"
 

diff --git a/src/gromacs/gmxpreprocess/topshake.c b/src/gromacs/gmxpreprocess/topshake.c
index cee95306e8f63e36ac681063503a1dd07dafdfb2..68911eb5acabf2c738e3b1d3b47f61ca737ec49d 100644 (file)
--- a/src/gromacs/gmxpreprocess/topshake.c
+++ b/src/gromacs/gmxpreprocess/topshake.c
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014, 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.
@@ -40,6 +40,7 @@
 #endif
 
 #include <ctype.h>
+#include <math.h>
 
 #include "sysstuff.h"
 #include "physics.h"

diff --git a/src/gromacs/legacyheaders/physics.h b/src/gromacs/legacyheaders/physics.h
index b4a99abe2b004d3dfb89d3884abbace81b11a49a..31d49a3747e4fe619816517ff0d56bca173184d0 100644 (file)
--- a/src/gromacs/legacyheaders/physics.h
+++ b/src/gromacs/legacyheaders/physics.h
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2012, by the GROMACS development team, led by
+ * Copyright (c) 2012,2014, 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.
@@ -44,21 +44,12 @@
  * be anywhere else in the code.
  */
 
-#include <math.h>
+#include "gromacs/math/utilities.h"
 
-/* we do it anyway. */
 #ifdef __cplusplus
 extern "C" {
 #endif
 
-#ifndef M_PI
-#ifdef _PI
-#define M_PI _PI
-#else
-#define M_PI        3.14159265358979323846
-#endif
-#endif
-
 #define ANGSTROM     (1e-10)                               /* Old...   */
 #define KILO         (1e3)                                 /* Thousand */
 #define NANO         (1e-9)                                /* A Number */

diff --git a/src/gromacs/legacyheaders/vec.h b/src/gromacs/legacyheaders/vec.h
index 7953547811b1f9a163990eaf66a5d3d7cd60385c..e2d120d77518cc53ca6cdf98cd2d094c8a33ed1d 100644 (file)
--- a/src/gromacs/legacyheaders/vec.h
+++ b/src/gromacs/legacyheaders/vec.h
@@ -111,6 +111,7 @@
 #include "typedefs.h"
 #include "sysstuff.h"
 #include "gmx_fatal.h"
+#include <math.h>
 #include "physics.h"
 
 #ifdef __cplusplus