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  • Committer: Package Import Robot
  • Author(s): Michael Banck, Daniel Leidert, Andreas Tille, Michael Banck
  • Date: 2013-07-04 12:14:55 UTC
  • mfrom: (1.1.2)
  • Revision ID: package-import@ubuntu.com-20130704121455-5tvsx2qabor3nrui
Tags: 6.3-1
http://bugs.debian.org/696361
* New upstream release.
* Fixes anisotropic properties (Closes: #696361).
* New features include:
  + Multi-reference coupled cluster (MRCC) approaches
  + Hybrid DFT calculations with short-range HF 
  + New density-functionals including Minnesota (M08, M11) and HSE hybrid
    functionals
  + X-ray absorption spectroscopy (XAS) with TDDFT
  + Analytical gradients for the COSMO solvation model
  + Transition densities from TDDFT 
  + DFT+U and Electron-Transfer (ET) methods for plane wave calculations
  + Exploitation of space group symmetry in plane wave geometry optimizations
  + Local density of states (LDOS) collective variable added to Metadynamics
  + Various new XC functionals added for plane wave calculations, including
    hybrid and range-corrected ones
  + Electric field gradients with relativistic corrections 
  + Nudged Elastic Band optimization method
  + Updated basis sets and ECPs 

[ Daniel Leidert ]
* debian/watch: Fixed.

[ Andreas Tille ]
* debian/upstream: References

[ Michael Banck ]
* debian/upstream (Name): New field.
* debian/patches/02_makefile_flags.patch: Refreshed.
* debian/patches/06_statfs_kfreebsd.patch: Likewise.
* debian/patches/07_ga_target_force_linux.patch: Likewise.
* debian/patches/05_avoid_inline_assembler.patch: Removed, no longer needed.
* debian/patches/09_backported_6.1.1_fixes.patch: Likewise.
* debian/control (Build-Depends): Added gfortran-4.7 and gcc-4.7.
* debian/patches/10_force_gcc-4.7.patch: New patch, explicitly sets
  gfortran-4.7 and gcc-4.7, fixes test suite hang with gcc-4.8 (Closes:
  #701328, #713262).
* debian/testsuite: Added tests for COSMO analytical gradients and MRCC.
* debian/rules (MRCC_METHODS): New variable, required to enable MRCC methods.

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Lines of Context:
src/tools/ga-5-1/armci/src-portals/Makefile.inc
1
 
libarmci_la_SOURCES += src-portals/acc.h
2
 
libarmci_la_SOURCES += src-portals/aggregate.c
3
 
libarmci_la_SOURCES += src-portals/armci.c
4
 
libarmci_la_SOURCES += src-portals/armcip.h
5
 
libarmci_la_SOURCES += src-portals/armci_portals.c
6
 
libarmci_la_SOURCES += src-portals/armci_portals.h
7
 
libarmci_la_SOURCES += src-portals/atomics-i386.h
8
 
libarmci_la_SOURCES += src-portals/buffers.c
9
 
libarmci_la_SOURCES += src-portals/caccumulate.c
10
 
libarmci_la_SOURCES += src-portals/ccopy.c
11
 
libarmci_la_SOURCES += src-portals/clusterinfo.c
12
 
libarmci_la_SOURCES += src-portals/copy.h
13
 
libarmci_la_SOURCES += src-portals/ds-shared.c
14
 
libarmci_la_SOURCES += src-portals/fence.c
15
 
libarmci_la_SOURCES += src-portals/kr_malloc.c
16
 
libarmci_la_SOURCES += src-portals/kr_malloc.h
17
 
libarmci_la_SOURCES += src-portals/locks.c
18
 
libarmci_la_SOURCES += src-portals/locks.h
19
 
libarmci_la_SOURCES += src-portals/memlock.c
20
 
libarmci_la_SOURCES += src-portals/memlock.h
21
 
libarmci_la_SOURCES += src-portals/memory.c
22
 
libarmci_la_SOURCES += src-portals/message.c
23
 
libarmci_la_SOURCES += src-portals/mp3.fh
24
 
libarmci_la_SOURCES += src-portals/mp3.h
25
 
libarmci_la_SOURCES += src-portals/mutex.c
26
 
libarmci_la_SOURCES += src-portals/pack.c
27
 
libarmci_la_SOURCES += src-portals/pendbufs.h
28
 
libarmci_la_SOURCES += src-portals/portals_cp.c
29
 
libarmci_la_SOURCES += src-portals/portals_ds.c
30
 
libarmci_la_SOURCES += src-portals/portals.c
31
 
libarmci_la_SOURCES += src-portals/request.c
32
 
libarmci_la_SOURCES += src-portals/request.h
33
 
libarmci_la_SOURCES += src-portals/rmw.c
34
 
libarmci_la_SOURCES += src-portals/rtinfo.c
35
 
libarmci_la_SOURCES += src-portals/semaphores.c
36
 
libarmci_la_SOURCES += src-portals/semaphores.h
37
 
libarmci_la_SOURCES += src-portals/shmalloc.h
38
 
libarmci_la_SOURCES += src-portals/shmem.c
39
 
libarmci_la_SOURCES += src-portals/shmem.h
40
 
libarmci_la_SOURCES += src-portals/shmlimit.c
41
 
libarmci_la_SOURCES += src-portals/shmlimit.h
42
 
libarmci_la_SOURCES += src-portals/signaltrap.c
43
 
libarmci_la_SOURCES += src-portals/signaltrap.h
44
 
libarmci_la_SOURCES += src-portals/sockets.h
45
 
libarmci_la_SOURCES += src-portals/spawn.c
46
 
libarmci_la_SOURCES += src-portals/spinlock.h
47
 
libarmci_la_SOURCES += src-portals/strided.c
48
 
libarmci_la_SOURCES += src-portals/tas-alpha.h
49
 
libarmci_la_SOURCES += src-portals/tas-i386.h
50
 
libarmci_la_SOURCES += src-portals/tas-ia64.h
51
 
libarmci_la_SOURCES += src-portals/tas-ppc.h
52
 
libarmci_la_SOURCES += src-portals/utils.h
53
 
libarmci_la_SOURCES += src-portals/vector.c
54
 
if PORTALS_ENABLE_NEW_MALLOC
55
 
libarmci_la_SOURCES += src-portals/new_memory.c
56
 
endif
57
 
if ENABLE_F77
58
 
noinst_LTLIBRARIES += libfcopyfacc.la
59
 
libfcopyfacc_la_SOURCES =
60
 
libfcopyfacc_la_SOURCES += src-portals/fcopy.f
61
 
libfcopyfacc_la_SOURCES += src-portals/faccumulate.f
62
 
libfcopyfacc_la_FFLAGS =
63
 
libfcopyfacc_la_FFLAGS += $(ARMCI_FOPT)
64
 
libfcopyfacc_la_FFLAGS += $(FFLAG_INT_4)
65
 
libarmci_la_LIBADD += libfcopyfacc.la
66
 
libarmcii_la_LIBADD += libfcopyfacc.la
67
 
endif # ENABLE_F77
68
 
if MSG_COMMS_MPI
69
 
libarmci_la_SOURCES += src-portals/groups.c
70
 
endif
71
 
if ARMCI_ENABLE_GPC_CALLS
72
 
libarmci_la_SOURCES += src-portals/gpc.c
73
 
endif
74
 
if THREAD_SAFE
75
 
libarmci_la_SOURCES += src-portals/threads.c
76
 
libarmci_la_SOURCES += src-portals/utils.c
77
 
endif
78
 
if INLINE_TAS_OKAY
79
 
libarmci_la_SOURCES += src-portals/tas.c
80
 
else
81
 
if INLINE_TAS_WITH
82
 
nodist_libarmci_la_SOURCES += src-portals/tas_as.s
83
 
endif
84
 
endif
85
 
 
86
 
include_HEADERS += src-portals/armci.h
87
 
include_HEADERS += src-portals/gpc.h
88
 
include_HEADERS += src-portals/message.h
89
 
 
90
 
AM_CPPFLAGS += -I$(top_srcdir)/src-portals
91
 
AM_CPPFLAGS += -I$(top_srcdir)/src/include
92
 
 
93
 
if ENABLE_SHARED
94
 
MAYBE_PIC = -fPIC -DPIC
95
 
endif
96
 
 
97
 
src-portals/tas_as.s: src-portals/tas.c
98
 
        $(ARMCI_TAS_AS_V) \
99
 
        $(ARMCI_TAS_AS) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) \
100
 
        $(AM_CPPFLAGS) $(CPPFLAGS) -S $(MAYBE_PIC) -o $@ \
101
 
        $(top_srcdir)/src-portals/tas.c
102
 
 
103
 
CLEANFILES += src-portals/tas_as.s