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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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src/tools/ga-5-1/python/docs/scipy_11/publisher/build_paper.py
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#!/usr/bin/env python
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import docutils.core as dc
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from writer import writer
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import os.path
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import sys
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import glob
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if len(sys.argv) != 3:
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    print "Usage: build_paper.py paper_directory target_directory"
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    sys.exit(-1)
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in_path, out_path = sys.argv[1:]
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for p in (in_path, out_path):
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    if not os.path.isdir(p):
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        print("Cannot open directory: %s" % p)
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        sys.exit(-1)
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print "Building:", in_path
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paper_id = os.path.basename(out_path)
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preamble = r'''
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% These preamble commands are from build_paper.py
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% PDF Standard Fonts
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\usepackage{mathptmx}
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\usepackage[scaled=.90]{helvet}
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\usepackage{courier}
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% Make verbatim environment smaller
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\makeatletter
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\g@addto@macro\@verbatim\footnotesize
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\makeatother
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% Do not indent code sections
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\renewcommand{\quote}{}
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% Provide AMS mathematical commands such as "align"
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\usepackage{amsmath}
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\usepackage{amsfonts}
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\usepackage{bm}
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% Define colours for hyperref
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\usepackage{color}
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\definecolor{orange}{cmyk}{0,0.4,0.8,0.2}
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\definecolor{darkorange}{rgb}{.71,0.21,0.01}
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\definecolor{darkblue}{rgb}{.01,0.21,0.71}
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\definecolor{darkgreen}{rgb}{.1,.52,.09}
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\usepackage{hyperref}
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\hypersetup{pdftex,  % needed for pdflatex
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  breaklinks=true,  % so long urls are correctly broken across lines
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  colorlinks=true,
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  urlcolor=blue,
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  linkcolor=darkblue,
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  citecolor=darkgreen,
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  }
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% Include graphics for authors who raw-inlined figures
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% (then docutils won't automatically add the package)
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\usepackage{graphicx}
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\ifthenelse{\isundefined{\longtable}}{}{
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  \renewenvironment{longtable}{\begin{center}\begin{tabular}}%
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    {\end{tabular}\end{center}\vspace{2mm}}
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}
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% Packages required for code highlighting
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\usepackage{fancyvrb}
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'''
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# Add the LaTeX commands required by Pygments to do syntax highlighting
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try:
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    import pygments
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except ImportError:
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    import warnings
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    warnings.warn(RuntimeWarning('Could not import Pygments. '
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                                 'Syntax highlighting will fail.'))
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    pygments = None
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if pygments:
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    from pygments.formatters import LatexFormatter
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    from sphinx_highlight import SphinxStyle
90
 
 
91
 
    preamble += LatexFormatter(style=SphinxStyle).get_style_defs()
92
 
 
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settings = {'documentclass': 'IEEEtran',
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            'use_verbatim_when_possible': True,
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            'use_latex_citations': True,
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            'latex_preamble': preamble,
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            'documentoptions': 'letterpaper,compsoc,twoside'}
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try:
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    rst, = glob.glob(os.path.join(in_path, '*.rst'))
103
 
except ValueError:
104
 
    raise RuntimeError("Found more than one input .rst--not sure which one to use.")
105
 
 
106
 
content = open(rst, 'r').read()
107
 
content = r'''
108
 
.. role:: ref
109
 
 
110
 
.. role:: label
111
 
 
112
 
.. raw::  latex
113
 
 
114
 
  \input{page_numbers.tex}
115
 
  \newcommand*{\docutilsroleref}{\ref}
116
 
  \newcommand*{\docutilsrolelabel}{\label}
117
 
 
118
 
''' + content
119
 
 
120
 
tex = dc.publish_string(source=content, writer=writer,
121
 
                        settings_overrides=settings)
122
 
 
123
 
out = open(os.path.join(out_path, 'paper.tex'), 'w')
124
 
out.write(tex)
125
 
out.close()
126
 
 
127
 
page_nr_f = os.path.join(out_path, 'page_numbers.tex')
128
 
if not os.path.exists(page_nr_f):
129
 
    out = open(page_nr_f, 'w')
130
 
    out.close()