From b1366057a8ffcc568b9bbcbd03c87b0cd5e51218 Mon Sep 17 00:00:00 2001
From: Jussi Lehtola <jussilehtola@fedoraproject.org>
Date: Dec 19 2010 19:24:01 +0000
Subject: Drop mpich2 support, as mpich2 is missing.


---

diff --git a/gromacs.spec b/gromacs.spec
index d0fe7bf..436901e 100644
--- a/gromacs.spec
+++ b/gromacs.spec
@@ -156,58 +156,6 @@ This package contains development libraries for GROMACS Open MPI.
 You may need it if you want to write your own analysis programs.
 
 
-%package mpich2
-Summary:	GROMACS MPICH2 binaries and libraries
-Group:		Applications/Engineering
-Requires:	gromacs-common = %{version}-%{release}
-Requires:	mpich2
-
-%description mpich2
-GROMACS is a versatile and extremely well optimized package to perform
-molecular dynamics computer simulations and subsequent trajectory analysis.
-It is developed for biomolecules like proteins, but the extremely high
-performance means it is used also in several other field like polymer chemistry
-and solid state physics.
-
-mdrun has been compiled with thread parallellization (for running on
-a single node) and with MPICH2 (for running on multiple nodes).
-This package single and double precision binaries and libraries.
-
-%package mpich2-libs
-Summary:	GROMACS MPICH2 shared libraries
-Group:		System Environment/Libraries
-Requires:	mpich2
-
-%description mpich2-libs
-GROMACS is a versatile and extremely well optimized package to perform
-molecular dynamics computer simulations and subsequent trajectory analysis.
-It is developed for biomolecules like proteins, but the extremely high
-performance means it is used also in several other field like polymer chemistry
-and solid state physics.
-
-This package contains libraries needed for operation of GROMACS MPICH2.
-
-
-%package mpich2-devel
-Summary:	GROMACS MPICH2 development libraries
-Group:		Applications/Engineering
-Requires:	gromacs-devel = %{version}-%{release}
-Requires:	gromacs-mpich2 = %{version}-%{release}
-BuildRequires:	mpich2-devel
-Requires:	mpich2-devel
-
-%description mpich2-devel
-GROMACS is a versatile and extremely well optimized package to perform
-molecular dynamics computer simulations and subsequent trajectory analysis.
-It is developed for biomolecules like proteins, but the extremely high
-performance means it is used also in several other field like polymer chemistry
-and solid state physics.
-
-This package contains development libraries for GROMACS MPICH2.
-You may need it if you want to write your own analysis programs.
-
-
-
 %package bash
 Summary:	GROMACS bash completion
 Group:		Applications/Engineering
@@ -295,7 +243,6 @@ This package provides tutorials for the use of GROMACS.
 
 %build
 # First, override bug in MPICH2 packaging.
-%{_mpich2_unload}
 
 # Assembly kernels haven't got .note.GNU-stack sections
 # because of incompatibilies with Microsoft Assembler.
@@ -358,29 +305,6 @@ cd ..
 %{_openmpi_unload}
 
 
-## MPICH2
-%{_mpich2_load}
-# Suffix to be used for single precision is
-SUFFIXCONF="-D GMX_DEFAULT_SUFFIX=OFF -D GMX_BINARY_SUFFIX=$SUFFIX -D GMX_LIBS_SUFFIX=${MPI_SUFFIX}"
-# MPICH 2 is broken, so need to modify linker command
-export CC="mpicc -lstdc++"
-# single precision
-mkdir mpich2-single
-cd mpich2-single
-%cmake $DEFOPTS $SINGLE $MPI $SUFFIXCONF ..
-make VERBOSE=1 %{?_smp_mflags} mdrun
-cd ..
-# double precision
-# Suffix to be used for double precision is
-SUFFIXCONF="-D GMX_DEFAULT_SUFFIX=OFF -D GMX_BINARY_SUFFIX=$SUFFIX -D GMX_LIBS_SUFFIX=${MPI_SUFFIX}_d"
-mkdir mpich2-double
-cd mpich2-double
-%cmake $DEFOPTS $DOUBLE $MPI $SUFFIXCONF ..
-make VERBOSE=1 %{?_smp_mflags} mdrun
-cd ..
-%{_mpich2_unload}
-
-
 %install
 rm -rf %{buildroot}
 
@@ -401,22 +325,6 @@ cp -a src/*/*.so* %{buildroot}%{_libdir}/openmpi/lib/
 cd ..
 %{_openmpi_unload}
 
-## MPICH 2
-%{_mpich2_load}
-# Make install-mdrun target is broken, do install manually
-mkdir -p %{buildroot}%{_libdir}/mpich2/{bin,lib}
-# single precision
-cd mpich2-single
-install -p -m 755 src/kernel/mdrun %{buildroot}%{_libdir}/mpich2/bin/g_mdrun_mpich2
-cp -a src/*/*.so* %{buildroot}%{_libdir}/mpich2/lib/
-cd ..
-# double precision
-cd mpich2-double
-install -p -m 755 src/kernel/mdrun %{buildroot}%{_libdir}/mpich2/bin/g_mdrun_mpich2_d
-cp -a src/*/*.so* %{buildroot}%{_libdir}/mpich2/lib/
-cd ..
-%{_mpich2_unload}
-
 
 ## Serial versions
 
@@ -551,18 +459,6 @@ rm -rf %{buildroot}
 %defattr(-,root,root,-)
 %{_libdir}/openmpi/lib/lib*.so
 
-%files mpich2
-%defattr(-,root,root,-)
-%{_libdir}/mpich2/bin/g_mdrun*
-
-%files mpich2-libs
-%defattr(-,root,root,-)
-%{_libdir}/mpich2/lib/lib*.so.*
-
-%files mpich2-devel
-%defattr(-,root,root,-)
-%{_libdir}/mpich2/lib/lib*.so
-
 %files zsh
 %defattr(-,root,root,-)
 %{_datadir}/zsh/site-functions/gromacs