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  • Committer: Package Import Robot
  • Author(s): Daniel Leidert
  • Date: 2013-05-22 19:08:27 UTC
  • mfrom: (1.1.11) (7.1.9 sid)
  • Revision ID: package-import@ubuntu.com-20130522190827-72q0fnx5y2nm3bc0
Tags: 2.3.2+dfsg-1
* New upstream release.
* debian/control: Dropped DM-Upload-Allowed field.
  (Standards-Version): Bumped to 3.9.4.
* debian/copyright: Massive update.
* debian/upstream: Author name update.
* debian/get-orig-source.sh: Remove the windows-*/ directory too.
* debian/openbabel.install: Removed roundtrip manpage.
* debian/openbabel-gui.install: Fixed manpage name.
* debian/openbabel-gui.links: Removed unused file.
* debian/rules: Enable OpenMP. Disable tests on `nocheck'.
* debian/patches/gaussformat_nosym.patch: Dropped. Applied upstream.
* debian/patches/moldenformat_coordonly.patch: Ditto.
* debian/patches/obspectrophore_man.patch: Ditto.
* debian/patches/fix_ftbfs.patch: Added.
  - Fix several FTBFS issues in upstream build system.
* debian/patches/series: Adjusted.

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Lines of Context:
data/atomtyp.txt
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INTHYB  [AsD3]                    3       # AsCl3 (AsCl5 handled by D5 above)
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INTHYB  [SbD3]                    3       #
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# SbD5, AsD5 are all trigbpy so are handled by D5 above
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INTHYB  [BiD3]                    3       # 
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INTHYB  [BiD5]                    6       # BiF5 is square-pyr, not trigbpy 
 
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INTHYB  [BiD3]                    3       #
 
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INTHYB  [BiD5]                    6       # BiF5 is square-pyr, not trigbpy
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INTHYB  [se]                      2       # aromatic sp2 Se
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INTHYB  [Se]                      3       # sp3 hybridization Se (and family)
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IMPVAL  [$([#7+]=*)]              3
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IMPVAL  [$([#7+](=*)=*)]          2
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IMPVAL [$([#8+]#*)] 1
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IMPVAL [#8]                       2 # Generic O
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IMPVAL [#8-]                      1
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IMPVAL [#8-2]                     0
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IMPVAL [#8+]                      3
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IMPVAL [$([#8]=*)]                1
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IMPVAL [#8^1+]                    1 # carbon monoxide
 
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IMPVAL [$([#8]#*)]                1
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IMPVAL  [#9D0]                    1
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IMPVAL  [#9D0-]                   0 #[F-]