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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-5-2/m4/ga_warn_flags.m4
 
1
# GA_WARN_FLAGS
 
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# -------------
 
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# Add all known warning flags to the language-specific FLAGS variable.
 
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AC_DEFUN([GA_WARN_FLAGS], [
 
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AS_IF([test "x$enable_warnings" = xyes], [
 
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AC_REQUIRE([GA_COMPILER_VENDOR])
 
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AS_VAR_PUSHDEF([vendor], [ga_cv_[]_AC_LANG_ABBREV[]_compiler_vendor])
 
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AS_VAR_PUSHDEF([result], [ga_cv_[]_AC_LANG_ABBREV[]_warning_flags])
 
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AC_CACHE_CHECK([for _AC_LANG warning flags], [result], [
 
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AC_LANG_CASE(
 
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[C], [
 
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AS_CASE([$vendor],
 
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[amd],       [result="-Wall -W -Wdeclaration-after-statement"],
 
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[borland],   [result=],
 
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[comeau],    [result=],
 
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[cray],      [result=],
 
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[dec],       [result=],
 
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[fujitsu],   [result="-Xc -pvctl,fullmsg"],
 
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[gnu],       [result="-Wall -Wextra -Wdeclaration-after-statement -Wno-unused-parameter -pedantic -Wno-long-long -Wnested-externs -ansi"],
 
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[hp],        [result=],
 
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[ibm],       [result=],
 
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[intel],     [result="-Wall"],
 
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[kai],       [result=],
 
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[lcc],       [result=],
 
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[metrowerks],[result=],
 
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[microsoft], [result=],
 
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[pathscale], [result="-Wall -fullwarn -Wno-unused-parameter -pedantic -Wno-long-long -Wnested-externs"],
 
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[portland],  [result="-Xc"],
 
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[sgi],       [result=],
 
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[sun],       [result=],
 
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[watcom],    [result=])
 
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],
 
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[Fortran 77], [
 
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result=
 
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],
 
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[Fortran], [
 
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result=
 
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],
 
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[C++], [
 
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result=
 
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])
 
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])
 
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AC_SUBST(GA_[]_AC_LANG_PREFIX[]_WARN, [$result])
 
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AS_VAR_POPDEF([result])
 
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AS_VAR_POPDEF([vendor])
 
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])
 
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])dnl
 
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# GA_ENABLE_WARNINGS
 
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# ------------------
 
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# Adds --enable-warnings.
 
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AC_DEFUN([GA_ENABLE_WARNINGS], [
 
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AC_ARG_ENABLE([warnings],
 
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    [AS_HELP_STRING([--enable-warnings],
 
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        [use compiler-specific warnings])],
 
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    [enable_warnings=yes],
 
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    [enable_warnings=no])
 
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])dnl