BioD PNPI Git Repos - alexxy/gromacs.git/commit

biod.pnpi.spb.ru / alexxy / gromacs.git / commit

author	Roland Schulz <roland@utk.edu>
	Fri, 9 Nov 2012 21:18:27 +0000 (16:18 -0500)
committer	Roland Schulz <roland@utk.edu>
	Fri, 9 Nov 2012 21:21:26 +0000 (16:21 -0500)
commit	a9ec9844a0a6fc4a8d234dc02d294696b15d9540
tree	1daf0b0771a5f9a57bff356b6247eea524369508	tree \| snapshot
parent	e12e3fcb1e39cc3beed9bc2b49740a93cda4ce0b	commit \| diff
parent	8e3a04c048970cf60621b4585307d871762d6f3c	commit \| diff

Merge origin/release-4-6 into master

Conflicts:
CMakeLists.txt
cmake/gmxTestRestrict.cmake (recreated)
cmake/TestRestrict.c (recreated)
src/config.h.cmakein
src/gromacs/gmxlib/nrnb.c
src/gromacs/gmxlib/string2.c
src/gromacs/gmxlib/tpxio.c
src/gromacs/legacyheaders/string2.h
src/gromacs/libgromacs.pc.cmakein
src/kernel/CMakeLists.txt (change added to src/gromacs/CMakeLists.txt)

Deleted:
src/gromacs/gmxlib/nonbonded/nb_kernel_bluegene/*
src/gromacs/gmxlib/nonbonded/nb_kernel_c/*
src/gromacs/gmxlib/nonbonded/nb_kernel_f77_*
src/gromacs/gmxlib/nonbonded/nb_kernel_power6/*
src/gromacs/gmxlib/nonbonded/nb_kerneltype.h
src/gmxlib/nonbonded/mknb_generator/mknb_metacode.h

nstlist has been added to tpx format in 4.6 (tpx ver 82), and
now in master from version 91. Versions 83-89 are reserved for
4.6 (and will read it), while version 90 (previous master) files
are read correctly without it.

Change-Id: I9a953d213fedcc3d885ee20bff08cbdf916c86c2

235 files changed:

CMakeLists.txt	diff1 \|	diff2 \|	blob \| history
src/config.h.cmakein	diff1 \|	diff2 \|	blob \| history
src/gromacs/CMakeLists.txt	diff1 \|	\|	blob \| history
src/gromacs/gmxlib/bondfree.c	diff1 \|	\|	blob \| history
src/gromacs/gmxlib/names.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/CMakeLists.txt	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_free_energy.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_free_energy.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_generic.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_generic.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_generic_adress.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_generic_cg.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_generic_cg.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel.h	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_adress_c/nb_kernel_c_adress.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_adress_c/nb_kernel_c_adress.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/make_nb_kernel_c.py	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomP1P1_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW3P1_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW3W3_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW4P1_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomW4W4_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomP1P1_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW3P1_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW3W3_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW4P1_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwBham_GeomW4W4_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomP1P1_c.c	\|	diff2 \|	blob \| history
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src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW3W3_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW4P1_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCoul_VdwNone_GeomW4W4_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomP1P1_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW3P1_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW3W3_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW4P1_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwBhamSh_GeomW4W4_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_c.c	\|	diff2 \|	blob \| history
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src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_c.c	\|	diff2 \|	blob \| history
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src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomW4P1_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwBhamSw_GeomW4W4_c.c	\|	diff2 \|	blob \| history
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src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_c.c	\|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_c.c	\|	diff2 \|	blob \| history
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