[gromacs] Update to 4.6.
Susi Lehtola
jussilehtola at fedoraproject.org
Mon Jan 21 13:09:53 UTC 2013
commit b377008a4a8e7a70e9b6906510aaf9e5366cfd09
Author: Jussi Lehtola <jussilehtola at fedoraproject.org>
Date: Mon Jan 21 15:09:44 2013 +0200
Update to 4.6.
.gitignore | 2 +
gromacs-git-d24f81b3.patch | 136 --------------------------------------------
gromacs.spec | 27 +++------
sources | 4 +-
4 files changed, 12 insertions(+), 157 deletions(-)
---
diff --git a/.gitignore b/.gitignore
index a777b11..711dd34 100644
--- a/.gitignore
+++ b/.gitignore
@@ -9,3 +9,5 @@ manual-4.0.pdf
/gromacs-4.5.5.tar.gz
/gromacs-4.6-beta3.tar.gz
/gromacs-manual-4.6-beta1.pdf
+/gromacs-4.6.tar.gz
+/manual-4.6.pdf
diff --git a/gromacs.spec b/gromacs.spec
index d22376c..2ec0bc2 100644
--- a/gromacs.spec
+++ b/gromacs.spec
@@ -6,21 +6,18 @@
Name: gromacs
Version: 4.6
-Release: 0.2.beta3%{?dist}
+Release: 1%{?dist}
Summary: Fast, Free and Flexible Molecular Dynamics
Group: Applications/Engineering
License: GPLv2+
URL: http://www.gromacs.org
BuildRoot: %{_tmppath}/%{name}-%{version}-%{release}-root-%(%{__id_u} -n)
-#Source0: ftp://ftp.gromacs.org/pub/gromacs/gromacs-%{version}.tar.gz
-Source0: ftp://ftp.gromacs.org/pub/gromacs/gromacs-%{version}-beta3.tar.gz
+Source0: ftp://ftp.gromacs.org/pub/gromacs/gromacs-%{version}.tar.gz
# File gotten from
# http://www.gromacs.org/@api/deki/files/152/=manual-4.5.4.pdf
#Source1: manual-4.5.4.pdf
-Source1: ftp://ftp.gromacs.org/pub/manual/gromacs-manual-4.6-beta1.pdf
+Source1: ftp://ftp.gromacs.org/pub/manual/manual-4.6.pdf
Source6: gromacs-README.fedora
-# fix build on non-x86 arches
-Patch0: gromacs-git-d24f81b3.patch
BuildRequires: cmake
BuildRequires: atlas-devel
@@ -291,20 +288,9 @@ This package provides scripts needed to run GROMACS with csh and a completion
script.
%prep
-%setup -q -n %{name}-%{version}-beta3
-%patch0 -p1 -b .non-x86
-#patch0 -p1 -b .gmxrc
-#patch1 -p1 -b .gmxdemo
-
-# Fix incorrect permission
-#chmod a-x src/tools/gmx_xpm2ps.c
-
-
+%setup -q
%build
-# First, override bug in MPICH2 packaging.
-%{_mpich2_unload}
-
# Assembly kernels haven't got .note.GNU-stack sections
# because of incompatibilies with Microsoft Assembler.
# Add noexecstack to compiler flags
@@ -313,7 +299,7 @@ export CFLAGS="%optflags -Wa,--noexecstack -fPIC"
export LIBS="-L%{_libdir}/atlas -lblas -llapack"
# Default options, used for all compilations
-export DEFOPTS="-D BUILD_SHARED_LIBS=ON -DCMAKE_SKIP_RPATH:BOOL=ON -DCMAKE_SKIP_BUILD_RPATH:BOOL=ON -DGMXLIB=%{_lib} -DGMX_X11=ON"
+export DEFOPTS="-D BUILD_SHARED_LIBS=ON -DCMAKE_SKIP_RPATH:BOOL=ON -DCMAKE_SKIP_BUILD_RPATH:BOOL=ON -DGMXLIB=%{_lib} -DGMX_X11=ON -DCMAKE_C_FLAGS_RELEASE= -DCMAKE_CXX_FLAGS_RELEASE="
export SINGLE="-D GMX_DOUBLE=OFF" # Single precision
export DOUBLE="-D GMX_DOUBLE=ON" # Double precision
export MPI="-D GMX_MPI=ON"
@@ -588,6 +574,9 @@ rm -rf %{buildroot}
%changelog
+* Mon Jan 21 2013 Susi Lehtola <jussilehtola at fedoraproject.org> - 4.6-1
+- Update to stable 4.6 release.
+
* Mon Dec 31 2012 Dan HorĂ¡k <dan[at]danny.cz> - 4.6-0.2.beta3
- fix build on non-x86 arches
diff --git a/sources b/sources
index 6bf2eff..2330d90 100644
--- a/sources
+++ b/sources
@@ -1,2 +1,2 @@
-b6280194172d3bc841210a97b00edc4d gromacs-4.6-beta3.tar.gz
-8bdea92a8eb7a987bbb32ee34ee52364 gromacs-manual-4.6-beta1.pdf
+d920a57884961a9fcbdcd9953ade469b gromacs-4.6.tar.gz
+a66111b91948a0923bf5e8b8efbffa16 manual-4.6.pdf
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