Merge branch 'origin/release-2020' into merge-release-2020

diff --git a/docs/release-notes/2020/2020.5.rst b/docs/release-notes/2020/2020.5.rst
index fc041b988c1c1540f4d854104d77b22277c6c1a8..e0a021f48a56d8404df647efa0f630525cdffb37 100644 (file)
--- a/docs/release-notes/2020/2020.5.rst
+++ b/docs/release-notes/2020/2020.5.rst
@@ -22,5 +22,12 @@ Fixes for ``gmx`` tools
 Fixes that affect portability
 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
 
+Fix building on OSX
+"""""""""""""""""""
+
+The code wouldn't compile due to a missing include.
+
+:issue:`3730`
+
 Miscellaneous
 ^^^^^^^^^^^^^

diff --git a/src/gromacs/gmxpreprocess/hackblock.cpp b/src/gromacs/gmxpreprocess/hackblock.cpp
index bc00ea2c46f1396e4e569fd68738ff2632991791..2459141ae6e9744a00c7369cd8429236ae179b79 100644 (file)
--- a/src/gromacs/gmxpreprocess/hackblock.cpp
+++ b/src/gromacs/gmxpreprocess/hackblock.cpp
@@ -53,6 +53,7 @@
 #include "gromacs/utility/fatalerror.h"
 #include "gromacs/utility/gmxassert.h"
 #include "gromacs/utility/smalloc.h"
+#include "gromacs/utility/stringcompare.h"
 
 /* these MUST correspond to the enum in hackblock.h */
 const char* btsNames[ebtsNR] = { "bonds", "angles", "dihedrals", "impropers", "exclusions", "cmap" };
@@ -136,7 +137,7 @@ static int rbonded_find_atoms_in_list(const BondedInteraction&               b,
              * Since we only have the unparsed string here we can only detect
              * EXACT matches (including identical whitespace).
              */
-            if (b.s != it->s)
+            if (b.s == it->s)
             {
                 gmx_warning("Duplicate line found in or between hackblock and rtp entries");
             }

diff --git a/src/gromacs/mdlib/shake.cpp b/src/gromacs/mdlib/shake.cpp
index 30c965214bd1e2a244f493f7c9006440587e2a3e..ee5dee5f4f82ea38d7e3e045ba3582c2d1bb270e 100644 (file)
--- a/src/gromacs/mdlib/shake.cpp
+++ b/src/gromacs/mdlib/shake.cpp
@@ -48,6 +48,7 @@
 #include "shake.h"
 
 #include <cmath>
+#include <cstdlib>
 
 #include <algorithm>