cclib-data_1.1-1_all.deb


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Description

cclib-data - Parsers and algorithms for computational chemistry (data files)

Property Value
Distribution Debian 8 (Jessie)
Repository Debian Nonfree i386
Package filename cclib-data_1.1-1_all.deb
Package name cclib-data
Package version 1.1
Package release 1
Package architecture all
Package type deb
Category non-free/science role::app-data
Homepage http://cclib.sourceforge.net
License -
Maintainer Debichem Team <debichem-devel@lists.alioth.debian.org>
Download size 5.83 MB
Installed size 35.54 MB
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.

Alternatives

Package Version Architecture Repository
cclib-data_1.1-1_all.deb 1.1 all Debian Nonfree
cclib-data - - -

Requires

Name Value
python >= 2.6.6-7~
python << 2.8
python-cclib >= 1.0.1-1
python-numpy -

Download

Type URL
Mirror ftp.br.debian.org
Binary Package cclib-data_1.1-1_all.deb
Source Package cclib-data

Install Howto

  1. Update the package index:
    # sudo apt-get update
  2. Install cclib-data deb package:
    # sudo apt-get install cclib-data

Files

Path
/usr/lib/python2.6/dist-packages/cclib_data-1.1.egg-info
/usr/lib/python2.6/dist-packages/cclib/data/regressionfiles.txt
/usr/lib/python2.6/dist-packages/cclib/data/wget.sh
/usr/lib/python2.6/dist-packages/cclib/data/ADF/basicADF2007.01/MoOCl4-sp.adfin
/usr/lib/python2.6/dist-packages/cclib/data/ADF/basicADF2007.01/MoOCl4-sp.adfout
/usr/lib/python2.6/dist-packages/cclib/data/ADF/basicADF2007.01/NH3.adfin
/usr/lib/python2.6/dist-packages/cclib/data/ADF/basicADF2007.01/NH3.adfout
/usr/lib/python2.6/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_gopt.adfin
/usr/lib/python2.6/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_gopt.adfout
/usr/lib/python2.6/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_gopt_b.adfin
/usr/lib/python2.6/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_gopt_b.adfout
/usr/lib/python2.6/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_ir.adfin
/usr/lib/python2.6/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_ir.adfout
/usr/lib/python2.6/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_sp.adfin
/usr/lib/python2.6/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_sp.adfout
/usr/lib/python2.6/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_sp_b.adfin
/usr/lib/python2.6/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_sp_b.adfout
/usr/lib/python2.6/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_sp_c.adfin
/usr/lib/python2.6/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_sp_c.adfout
/usr/lib/python2.6/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_sp_d.adfin
/usr/lib/python2.6/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_sp_d.adfout
/usr/lib/python2.6/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_td.adfin
/usr/lib/python2.6/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_td.adfout
/usr/lib/python2.6/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_un_sp.adfin
/usr/lib/python2.6/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_un_sp.adfout
/usr/lib/python2.6/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_un_sp_c.adfin
/usr/lib/python2.6/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_un_sp_c.adfout
/usr/lib/python2.6/dist-packages/cclib/data/ADF/basicADF2007.01/metadata.txt
/usr/lib/python2.6/dist-packages/cclib/data/ADF/basicADF2007.01/mo_sp.adfin
/usr/lib/python2.6/dist-packages/cclib/data/ADF/basicADF2007.01/mo_sp.adfout
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/MoOCl4-sp.in
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/MoOCl4-sp.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt.in
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt_b.in
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt_b.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt_c.in
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt_c.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt_d.in
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt_d.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_ir.in
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_ir.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_raman.in
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_raman.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_sp.in
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_sp.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_sp_b.in
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_sp_b.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_un_sp.in
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_un_sp.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_un_sp_b.in
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_un_sp_b.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/metadata.txt
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/water_mp2.in
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/water_mp2.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/water_mp3.in
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/water_mp3.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/C_bigbasis.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/C_bigbasis.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/MoOCl4-sp.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/MoOCl4-sp.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/dvb_gopt_a.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/dvb_gopt_a.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/dvb_ir.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/dvb_ir.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/dvb_sp.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/dvb_sp.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/dvb_td.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/dvb_td.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/dvb_td_trplet.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/dvb_td_trplet.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/dvb_un_sp.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/dvb_un_sp.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/metadata.txt
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/nh3_ts_ir.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/nh3_ts_ir.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/water_ccd.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/water_ccd.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/water_ccsd(t).inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/water_ccsd(t).out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/water_ccsd.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/water_ccsd.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/water_cis_dets.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/water_cis_dets.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/water_cis_saps.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/water_cis_saps.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/water_mp2.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS-US/water_mp2.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS2010/dvb_gopt.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS2010/dvb_gopt.log
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS2010/dvb_ir.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS2010/dvb_ir.log
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS2010/dvb_sp.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS2010/dvb_sp.log
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS2010/dvb_sp_un.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS2010/dvb_sp_un.log
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS2010/dvb_td.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS2010/dvb_td.log
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicGAMESS2010/vi.log
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicPCGAMESS/CN_ir.in
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicPCGAMESS/CN_ir.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicPCGAMESS/C_bigbasis.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicPCGAMESS/C_bigbasis.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_gopt_a.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_gopt_a.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_gopt_b.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_gopt_b.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_ir.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_ir.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_raman.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_raman.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_sp.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_sp.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_td.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_td.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_td_trplet.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_td_trplet.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_un_sp.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_un_sp.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicPCGAMESS/metadata.txt
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicPCGAMESS/water_mp2.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicPCGAMESS/water_mp2.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicPCGAMESS/water_mp3.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicPCGAMESS/water_mp3.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicPCGAMESS/water_mp4.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicPCGAMESS/water_mp4.out
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicPCGAMESS/water_mp4_sdtq.inp
/usr/lib/python2.6/dist-packages/cclib/data/GAMESS/basicPCGAMESS/water_mp4_sdtq.out
/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian03/CO_TD_delta.gjf
/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian03/CO_TD_delta.log
/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian03/C_bigbasis.gjf
/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian03/C_bigbasis.out
/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian03/Mo4OCl4-sp.com
/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian03/Mo4OCl4-sp.log
/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian03/dvb_gopt.gjf
/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian03/dvb_gopt.out
/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian03/dvb_ir.gjf
/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian03/dvb_ir.out
/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian03/dvb_raman.gjf
/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian03/dvb_raman.out
/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian03/dvb_sp.gjf
/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian03/dvb_sp.out
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/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian03/water_cis.log
/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian03/water_cisd.com
/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian03/water_cisd.log
/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian03/water_mp2.com
/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian03/water_mp2.log
/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian03/water_mp3.com
/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian03/water_mp3.log
/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian03/water_mp4.com
/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian03/water_mp4.log
/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian03/water_mp4sdq.com
/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian03/water_mp4sdq.log
/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian03/water_mp5.com
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/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian09/dvb_raman.log
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/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian09/dvb_sp_basis.gjf
/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian09/dvb_sp_basis.log
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/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian09/dvb_sp_basis_b.log
/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian09/dvb_td.gjf
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/usr/lib/python2.6/dist-packages/cclib/data/Gaussian/basicGaussian09/dvb_un_sp_b.log
/usr/lib/python2.6/dist-packages/cclib/data/Jaguar/basicJaguar7.0/dvb_gopt.in
/usr/lib/python2.6/dist-packages/cclib/data/Jaguar/basicJaguar7.0/dvb_gopt.out
/usr/lib/python2.6/dist-packages/cclib/data/Jaguar/basicJaguar7.0/dvb_gopt_b.in
/usr/lib/python2.6/dist-packages/cclib/data/Jaguar/basicJaguar7.0/dvb_gopt_b.out
/usr/lib/python2.6/dist-packages/cclib/data/Jaguar/basicJaguar7.0/dvb_ir.in
/usr/lib/python2.6/dist-packages/cclib/data/Jaguar/basicJaguar7.0/dvb_ir.out
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/usr/share/pyshared/cclib/test/testGeoOpt.py
/usr/share/pyshared/cclib/test/testMP.py
/usr/share/pyshared/cclib/test/testSP.py
/usr/share/pyshared/cclib/test/testSPun.py
/usr/share/pyshared/cclib/test/testTD.py
/usr/share/pyshared/cclib/test/testTDun.py
/usr/share/pyshared/cclib/test/testall.py
/usr/share/pyshared/cclib/test/testcda.py
/usr/share/pyshared/cclib/test/testdata
/usr/share/pyshared/cclib/test/testpopulation.py
/usr/share/pyshared/cclib/test/testvib.py

Changelog

2013-04-01 - Debichem Team <debichem-devel@lists.alioth.debian.org>
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.
2012-04-19 - Karol M. Langner <karol.langner@gmail.com>
cclib-data (1.0.1-3) unstable; urgency=low
* debian/control: Remove +ssh from Vcs-Svn.
2011-09-09 - Karol M. Langner <karol.langner@gmail.com>
cclib-data (1.0.1-2) unstable; urgency=low
* Renamed the python module and use dh_python2 (closes: Bug#640935).
2011-07-26 - Karol M. Langner <karol.langner@gmail.com>
cclib-data (1.0.1-1) unstable; urgency=low
* Initial release.

See Also

Package Description
celestia-common-nonfree_1.6.1-1_all.deb Non-free datafiles for Celestia, a real-time visual space simulation
conserver-client_8.1.18-2.2_i386.deb connect to a console server
conserver-server_8.1.18-2.2_i386.deb connect multiple user to a serial console with logging
context-doc-nonfree_2012.06.27-4_all.deb ConTeXt documentation that is not DFSG free
context-nonfree_2007.03.22-1_all.deb Non-free items from the ConTeXt distribution
coq-doc-html_8.4pl4-1_all.deb documentation for Coq in html format
coq-doc-pdf_8.4pl4-1_all.deb documentation for Coq in pdf format
coq-doc_8.4pl4-1_all.deb documentation for Coq
cpp-4.8-doc_4.8.3-1_all.deb documentation for the GNU C preprocessor (cpp)
cpp-4.9-doc_4.9.1-3_all.deb documentation for the GNU C preprocessor (cpp)
crafty_23.4-6+deb8u1_i386.deb state-of-the-art chess engine, compatible with xboard
crash-whitepaper_1.0-1.1_all.deb Whitepaper for crash kernel debugging utility
cuneiform-common_1.1.0+dfsg-5_all.deb multi-language OCR system (common)
cuneiform_1.1.0+dfsg-5_i386.deb multi-language OCR system
d1x-rebirth_0.58.1-1_i386.deb port of the 1995 classic game Descent 1: First Strike
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