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Viewing changes to src/tools/ga-5-2/tascel/Makefile.am

  • 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-5-2/tascel/Makefile.am
 
1
ACLOCAL_AMFLAGS = -I m4 -I ../m4
 
2
 
 
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BUILT_SOURCES =
 
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EXTRA_DIST =
 
5
 
 
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AM_FFLAGS =
 
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AM_FFLAGS += $(FFLAG_INT)
 
8
 
 
9
AM_CFLAGS =
 
10
 
 
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AM_CXXFLAGS =
 
12
 
 
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AM_CPPFLAGS =
 
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AM_CPPFLAGS += -I$(top_srcdir)/src
 
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AM_CPPFLAGS += $(GA_CPPFLAGS)
 
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AM_CPPFLAGS += $(LAPACK_CPPFLAGS)
 
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AM_CPPFLAGS += $(BLAS_CPPFLAGS)
 
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AM_CPPFLAGS += $(GA_MP_CPPFLAGS)
 
19
 
 
20
LDADD =
 
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LDADD += libtascel.la
 
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LDADD += $(GA_LIBS)
 
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LDADD += $(LAPACK_LIBS)
 
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LDADD += $(BLAS_LIBS)
 
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LDADD += $(GA_MP_LIBS)
 
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LDADD += $(FLIBS)
 
27
 
 
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AM_LDFLAGS =
 
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AM_LDFLAGS += $(GA_LDFLAGS)
 
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AM_LDFLAGS += $(LAPACK_LDFLAGS)
 
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AM_LDFLAGS += $(BLAS_LDFLAGS)
 
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AM_LDFLAGS += $(GA_MP_LDFLAGS)
 
33
 
 
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clean-local: clean-config
 
35
 
 
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include_HEADERS =
 
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include_HEADERS += src/AccessMode.h
 
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include_HEADERS += src/Comm.h
 
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include_HEADERS += src/Counter.h
 
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include_HEADERS += src/DataColl.h
 
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include_HEADERS += src/DenseArray.h
 
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include_HEADERS += src/FuncReg.h
 
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include_HEADERS += src/massert.h
 
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include_HEADERS += src/SharedQueue.h
 
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include_HEADERS += src/Sleep.h
 
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include_HEADERS += src/SplitQueue.h
 
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include_HEADERS += src/SplitQueueOpt.h
 
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include_HEADERS += src/StealingStats.h
 
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include_HEADERS += src/TaskCollProps.h
 
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include_HEADERS += src/Timer.h
 
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include_HEADERS += src/TerminationDetector.h
 
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include_HEADERS += src/UniformTaskCollection.h
 
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include_HEADERS += src/UniformTaskCollectionShared.h
 
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include_HEADERS += src/UniformTaskCollectionSplit.h
 
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include_HEADERS += src/UniformTaskCollSplitData.h
 
56
 
 
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lib_LTLIBRARIES =
 
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lib_LTLIBRARIES += libtascel.la
 
59
 
 
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nodist_libtascel_la_SOURCES =
 
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libtascel_la_SOURCES =
 
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libtascel_la_SOURCES += src/Comm.cc
 
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libtascel_la_SOURCES += src/DenseArray.cc
 
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libtascel_la_SOURCES += src/FuncReg.cc
 
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libtascel_la_SOURCES += src/SharedQueue.cc
 
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libtascel_la_SOURCES += src/Sleep.cc
 
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libtascel_la_SOURCES += src/SplitQueue.cc
 
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libtascel_la_SOURCES += src/SplitQueueOpt.cc
 
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libtascel_la_SOURCES += src/StealingStats.cc
 
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libtascel_la_SOURCES += src/TaskCollProps.cc
 
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libtascel_la_SOURCES += src/TerminationDetector.cc
 
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libtascel_la_SOURCES += src/UniformTaskCollection.cc
 
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libtascel_la_SOURCES += src/UniformTaskCollectionShared.cc
 
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libtascel_la_SOURCES += src/UniformTaskCollectionSplit.cc
 
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libtascel_la_SOURCES += src/UniformTaskCollSplitData.cc
 
76
 
 
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BUILT_SOURCES += config.fh
 
78
nodist_libtascel_la_SOURCES += config.fh
 
79
 
 
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config.fh: $(top_build_prefix)config.h
 
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        @-rm -f config.fh
 
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        $(AM_V_SED) \
 
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        $(SED) "/^#/!d" $(top_build_prefix)config.h > config.fh
 
84
 
 
85
clean-config:
 
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        -rm -f config.fh
 
87
 
 
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check_PROGRAMS =
 
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check_PROGRAMS += test/TestSharedQueue
 
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check_PROGRAMS += test/TestSplitQueue
 
91
if HAVE_BLAS
 
92
check_PROGRAMS += examples/scf/scf
 
93
endif
 
94
 
 
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test_TestSharedQueue_SOURCES = test/TestQueue.cc
 
96
test_TestSharedQueue_CPPFLAGS = $(AM_CPPFLAGS) -DSHARED_QUEUE
 
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test_TestSplitQueue_SOURCES = test/TestQueue.cc
 
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test_TestSplitQueue_CPPFLAGS = $(AM_CPPFLAGS) -DSPLIT_QUEUE
 
99
 
 
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examples_scf_scf_SOURCES = 
 
101
examples_scf_scf_SOURCES += examples/scf/cscf.h
 
102
examples_scf_scf_SOURCES += examples/scf/input.F
 
103
examples_scf_scf_SOURCES += examples/scf/integ.F
 
104
examples_scf_scf_SOURCES += examples/scf/main.c
 
105
examples_scf_scf_SOURCES += examples/scf/output.F
 
106
examples_scf_scf_SOURCES += examples/scf/scf.F
 
107
examples_scf_scf_SOURCES += examples/scf/timer.F
 
108
examples_scf_scf_SOURCES += examples/scf/twoelcpp.cc
 
109
 
 
110
EXTRA_DIST += examples/scf/README
 
111
EXTRA_DIST += examples/scf/be.inpt
 
112
EXTRA_DIST += examples/scf/be16.inpt
 
113
 
 
114
.PHONY: checkprogs
 
115
checkprogs: $(check_PROGRAMS)
 
116
 
 
117
TESTS = $(SERIAL_TESTS) $(PARALLEL_TESTS)
 
118
SERIAL_TESTS =
 
119
PARALLEL_TESTS =
 
120
PARALLEL_TESTS += test/TestSharedQueue$(EXEEXT)
 
121
PARALLEL_TESTS += test/TestSplitQueue$(EXEEXT)
 
122
if HAVE_BLAS
 
123
PARALLEL_TESTS += examples/scf/scf$(EXEEXT)
 
124
endif
 
125
 
 
126
if CROSS_COMPILING
 
127
LOG_COMPILER = \
 
128
maybe_mpiexec=`if echo "$(SERIAL_TESTS)" | $(GREP) "$$p" > /dev/null; then echo "$(MPIEXEC)" | $(SED) 's/%NP%/1/'; else echo "$(MPIEXEC)" | $(SED) 's/%NP%/$(NPROCS)/'; fi`; $$maybe_mpiexec
 
129
else
 
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LOG_COMPILER = \
 
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maybe_mpiexec=`if echo "$(SERIAL_TESTS)" | $(GREP) "$$p" > /dev/null; then echo ""; else if echo "$(MPIEXEC)" | $(GREP) "%NP%" > /dev/null; then echo "$(MPIEXEC)" | $(SED) 's/%NP%/$(NPROCS)/'; else echo "$(MPIEXEC)"; fi; fi`; $$maybe_mpiexec
 
132
endif # CROSS_COMPILING
 
133
 
 
134
# support verbose/silent make rules for additional programs
 
135
# sed
 
136
AM_V_SED = $(am__v_SED_$(V))
 
137
am__v_SED_ = $(am__v_SED_$(AM_DEFAULT_VERBOSITY))
 
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am__v_SED_0 = @echo "  SED   " $@;