Accepting request 592169 from home:cjunghans:branches:science

- bump version to 20180316 (stable)
- many little bugfxes: http://lammps.sandia.gov/bug.html
  * A potentially harmful bug was found and fixed in the pair_style reax/c command
- Added 858.patch to fix return value on ppc64

OBS-URL: https://build.opensuse.org/request/show/592169
OBS-URL: https://build.opensuse.org/package/show/science/lammps?expand=0&rev=48

lammps.changes

@@ -1,3 +1,11 @@
+-------------------------------------------------------------------
+Wed Mar 28 16:57:22 UTC 2018 - junghans@votca.org
+
+- bump version to 20180316 (stable)
+- many little bugfxes: http://lammps.sandia.gov/bug.html
+  * A potentially harmful bug was found and fixed in the pair_style reax/c command
+- Added 858.patch to fix return value on ppc64
+
 -------------------------------------------------------------------
 Thu Mar  8 20:21:43 UTC 2018 - junghans@votca.org
 

lammps.spec

@@ -17,14 +17,16 @@
 #
 
 Name:           lammps
-Version:        20180308
-%define         uversion patch_8Mar2018
+Version:        20180316
+%define         uversion stable_16Mar2018
 Release:        0
 Summary:        Molecular Dynamics Simulator
 License:        GPL-2.0 and GPL-3.0+
 Group:          Productivity/Scientific/Chemistry
 Url:            http://lammps.sandia.gov
 Source0:        https://github.com/lammps/lammps/archive/%{uversion}.tar.gz#/%{name}-%{uversion}.tar.gz
+# PATCH-FIX-UPSTREAM 858.patch, https://github.com/lammps/lammps/pull/858 - fix return value on ppc64
+Patch0:         https://github.com/lammps/lammps/pull/858.patch
 BuildRequires:  fftw3-devel
 BuildRequires:  gcc-c++
 BuildRequires:  gcc-fortran
@@ -116,6 +118,7 @@ This subpackage contains LAMMPS's Python module.
 
 %prep
 %setup -q -n %{name}-%{uversion}
+%patch0 -p1
 
 %build
 source %{_libdir}/mpi/gcc/openmpi/bin/mpivars.sh

858.patch

@@ -0,0 +1,25 @@
+From c664f46b31650f362cc132bcc17a3f9de923768b Mon Sep 17 00:00:00 2001
+From: Christoph Junghans <junghans@votca.org>
+Date: Wed, 28 Mar 2018 11:28:28 -0600
+Subject: [PATCH] MathSpecial::fm_exp: fix return value on ppc64
+
+---
+ src/math_special.cpp | 4 +---
+ 1 file changed, 1 insertion(+), 3 deletions(-)
+
+diff --git a/src/math_special.cpp b/src/math_special.cpp
+index d778e1e1ad..4b9197f0fc 100644
+--- a/src/math_special.cpp
++++ b/src/math_special.cpp
+@@ -537,10 +537,8 @@ double MathSpecial::exp2_x86(double x)
+ 
+ double MathSpecial::fm_exp(double x)
+ {
+-#if defined(__BYTE_ORDER__)
+-#if __BYTE_ORDER__ == __ORDER_LITTLE_ENDIAN__
++#if defined(__BYTE_ORDER__) && (__BYTE_ORDER__ == __ORDER_LITTLE_ENDIAN__)
+     return exp2_x86(FM_DOUBLE_LOG2OFE * x);
+-#endif
+ #else
+     return ::exp(x);
+ #endif

lammps-patch_8Mar2018.tar.gz

@@ -1,3 +0,0 @@
-version https://git-lfs.github.com/spec/v1
-oid sha256:832ebdac2faba86e3a7cfbb6f954fd2d149bf4c77fe41e490619418a4607105e
-size 91878683

lammps-stable_16Mar2018.tar.gz

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:03f91d69f472c37a4008611dee13fad91b6bedc66dbf0393416cdacc751b57ff
+size 91904795