debian/0000755000000000000000000000000012126307505007167 5ustar debian/watch0000644000000000000000000000007011613540062010212 0ustar version=3 http://sf.net/cclib/cclib-([\d\.]+)\.tar\.gz debian/upstream0000644000000000000000000000116311776043407010763 0ustar Name: cclib Homepage: http://cclib.sourceforge.net Contact: cclib-users@lists.sourceforge.net Reference: - Author: Noel M. O'Boyle and Adam L. Tenderholt and Karol M. Langner Title: "cclib: A library for package-independent computational chemistry algorithms" Journal: J. Comp. Chem. Year: 2008 Volume: 29 Number: 5 Pages: 839-845 URL: http://onlinelibrary.wiley.com/doi/10.1002/jcc.20823/abstract eprint: http://onlinelibrary.wiley.com/doi/10.1002/jcc.20823/pdf DOI: 10.1002/jcc.20823 Repository: https://cclib.svn.sourceforge.net/svnroot/cclib/ Repository-Browse: http://cclib.svn.sourceforge.net debian/rules0000755000000000000000000000017211765162160010253 0ustar #!/usr/bin/make -f #export DH_VERBOSE=1 %: dh $@ --with python2 --parallel override_dh_python2: dh_python2 dh_numpy debian/copyright0000644000000000000000000000304111614535766011135 0ustar This work was packaged for Debian by Karol M. Langner on Sun, 12 Apr 2011 09:00:01 +0100 and is maintained with the help of the debichem team . It was originally downloaded from http://cclib.sf.net. Upstream Authors: cclib development team, which includes N. M. O'Boyle, A. L. Tenderholt, K. M. Langner and others. Copyright: cclib (http://cclib.sf.net) is (c) 2006, the cclib development team License: GNU Lesser General Public License, version 2.1 This library is free software; you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License as published by the Free Software Foundation; either version 2.1 of the License, or (at your option) any later version. This library is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more details. You should have received a copy of the GNU Lesser General Public License along with this library; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA On Debian GNU/Linux systems, the complete text of the license can be found in "/usr/share/common-licenses/LGPL-2.1". The Debian packaging is: Copyright (C) 2011 Karol M. Langner and is licensed under the GPL version 3, see "/usr/share/common-licenses/GPL-3". debian/source/0000755000000000000000000000000012126307505010467 5ustar debian/source/format0000644000000000000000000000001411613537507011704 0ustar 3.0 (quilt) debian/compat0000644000000000000000000000000211613540062010362 0ustar 7 debian/control0000644000000000000000000000202612126304100010556 0ustar Source: cclib-data Section: non-free/science Priority: optional Maintainer: Debichem Team Uploaders: Karol M. Langner Build-Depends: debhelper (>> 7.0.50~), python (>> 2.6.6-3~), python-numpy (>> 1:1.4.1-4~) X-Python-Version: >= 2.4 Standards-Version: 3.9.4 Homepage: http://cclib.sourceforge.net Vcs-Svn: svn://svn.debian.org/svn/debichem/unstable/cclib-data Vcs-Browser: http://svn.debian.org/viewvc/debichem/unstable/cclib-data Package: cclib-data Architecture: all Provides: ${python:Provides} Depends: python-cclib (>= 1.0.1-1), ${misc:Depends}, ${python:Depends} Enhances: python-cclib Description: Parsers and algorithms for computational chemistry (data files) A Python library that provides parsers for computational chemistry log files. It also provides a platform to implement algorithms in a package-independent manner. . This package contains unittests and example log files that could not be included in the main cclib package. debian/patches/0000755000000000000000000000000012126307505010616 5ustar debian/patches/series0000644000000000000000000000002011613541536012027 0ustar fix_setup.patch debian/patches/fix_setup.patch0000644000000000000000000000336312126304545013653 0ustar Install the cclib tests and data file, but not cclib itself. --- a/setup.py +++ b/setup.py @@ -50,16 +50,13 @@ from distutils.core import setup # Setup the list of packages. - cclib_packages = ['cclib', - 'cclib.parser', 'cclib.progress', 'cclib.method', 'cclib.bridge', - 'cclib.test'] + cclib_packages = ['cclib.test'] # Setup the list of data files. - cclib_prefix = 'lib/python%i.%i/site-packages/cclib' %(sys.version_info[0], sys.version_info[1]) + cclib_prefix = 'lib/python%i.%i/dist-packages/cclib' %(sys.version_info[0], sys.version_info[1]) test_prefix = cclib_prefix + '/test' data_prefix = cclib_prefix + '/data' - cclib_datafiles = [ (cclib_prefix, ['ANNOUNCE', 'CHANGELOG', 'INSTALL', 'LICENSE', 'README', 'THANKS']), - (test_prefix, ['test/testdata']), + cclib_datafiles = [ (test_prefix, ['test/testdata']), (data_prefix, ['data/regressionfiles.txt', 'data/wget.sh'])] for program in programs: data_dirs = os.listdir('data/%s' %program) @@ -71,7 +68,7 @@ cclib_datafiles.append((dest, newfiles)) setup( - name = "cclib", + name = "cclib-data", version = "1.1", url = "http://cclib.sf.net", author = "cclib development team", @@ -83,8 +80,7 @@ long_description = "\n".join(doclines[2:]), classifiers = filter(None, classifiers.split("\n")), platforms = ["Any."], - scripts = ["src/scripts/ccget", "src/scripts/cda"], - package_dir = {'cclib':'src/cclib', 'cclib.test':'test'}, + package_dir = {'cclib.test':'test'}, packages = cclib_packages, data_files = cclib_datafiles ) debian/changelog0000644000000000000000000000167312126307456011055 0ustar cclib-data (1.1-1) unstable; urgency=low * New upstream release. [ Daniel Leidert ] * debian/control: Added Provides and Enhances. Removed duplicated section. (Build-Depends): Added missing python depends and python-numpy. (Standards-Version): Bumped to 3.9.4. * debian/rules: Added dh_numpy call. * debian/upstream: Added. -- Debichem Team Mon, 01 Apr 2013 15:44:06 +0200 cclib-data (1.0.1-3) unstable; urgency=low * debian/control: Remove +ssh from Vcs-Svn. -- Karol M. Langner Thu, 19 Apr 2012 12:43:24 +0200 cclib-data (1.0.1-2) unstable; urgency=low * Renamed the python module and use dh_python2 (closes: Bug#640935). -- Karol M. Langner Fri, 09 Sep 2011 13:30:01 +0100 cclib-data (1.0.1-1) unstable; urgency=low * Initial release. -- Karol M. Langner Sun, 26 Jul 2011 15:28:14 +0100