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rdkit 201603.5-2
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  • size: 72,364 kB
  • ctags: 18,217
  • sloc: cpp: 167,966; python: 58,855; java: 5,318; ansic: 5,239; sql: 1,908; yacc: 1,553; lex: 1,131; makefile: 418; xml: 229; sh: 192; fortran: 183; cs: 93
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rdkit (201603.5-2) unstable; urgency=medium

  * Team upload.
  * debian/control (Build-Depends): Added pandoc and 
    texlive-generic-extra. (Closes: #831264)
  * debian/rules (override_dh_auto_configure): Added
    -DRDK_OPTIMIZE_NATIVE=OFF to prevent FTBFS on ppc64el.

 -- Graham Inggs <ginggs@debian.org>  Mon, 07 Nov 2016 14:50:50 +0200

rdkit (201603.5-1) unstable; urgency=medium

  * New upstream release.  New features include:
   - Addition of parsers/writers for sequence notation, FASTA, and basic HELM
   - Improved conformation generation based on experimental torsional
     parameters
   - Much better filtering of generated conformations to ensure they
     match the chirality of the input structure
   - New method for enumerating molecular resonance structures
   - Addition of a molecular FilterCatalog data structure

  [ Daniel Leidert ]
  * debian/compat: Raised to level 9.
  * debian/control (Build-Depends): Switched to dh-python (closes: #786180).
    (Standards-Version): Bumped to 3.9.6.
    (Depends): Dropped python-numpy and let dh_numpy handle this.
  * debian/rules: Added override for dh_python2 and call dh_numpy.
  * debian/watch: Updated after project moved to Github.
  * debian/patches/series: Added.

  [ Michael Banck ]
  * debian/rules (override_dh_auto_clean): No longer remove
    Code/RDGeneral/versions.h, this is shipped upstream now. 
  * debian/rdkit-doc.install: Removed, no longer needed.
  * debian/rules (override_dh_installchangelogs): Update for new ReleaseNotes
    extension.
  * debian/rules (override_dh_auto_clean): Added Code/RDGeneral/versions.cpp
    and auto-generated restructed-text source files.

 -- Michael Banck <mbanck@debian.org>  Sun, 23 Oct 2016 23:07:02 +0200

rdkit (201503-2) unstable; urgency=medium

  * debian/rules (override_dh_install): Create $(DOCDIR).

 -- Michael Banck <mbanck@debian.org>  Tue, 09 Jun 2015 01:31:58 +0200

rdkit (201503-1) unstable; urgency=medium

  * New upstream release (closes: #785192).
  * debian/control (Description): Updated.
  * debian/control (Build-Depends): Added python-sphinx
  * debian/rules (override_dh_auto_build): New rule, build PDF user
    documentation.
  * debian/control (Build-Depends): Added doxygen and python-epydoc.
  * debian/rdkit-doc.dirs: New file.
  * debian/rules (DOCDIR): New variable.
  * debian/rdkit-doc.install: Only install overview presentation.
  * debian/rules (override_dh_auto_build): Build python and C++ API
    documentation with python-epydoc and doxygen, as well as HTML
    documentation.
  * debian/rules (override_dh_install): Install PDF and HTML documentation.
  * debian/rdkit-doc.doc-base: Reference PDF/HTML documentation and no longer
    the overview PDF.
  * debian/rules (override_dh_auto_clean): Remove files generated while
    building documentation.
  * debian/control (Build-Depends): Added texlive-latex-base,
    texlive-latex-recommended, texlive-latex-extra and
    texlive-fonts-recommended.

 -- Michael Banck <mbanck@debian.org>  Sun, 07 Jun 2015 15:07:00 +0200

rdkit (201403-1) unstable; urgency=medium

  * New upstream release.
  * debian/patches/733359_bison3_compatibility.patch: Dropped. Fix applied to upstream.
  * debian/patches/series: Removed.

 -- Michael Banck <mbanck@debian.org>  Sat, 25 Oct 2014 19:11:53 +0200

rdkit (201309-1) unstable; urgency=low

  * New upstream release.

  [ Daniel Leidert ]
  * debian/control (Standards-Version): Bumped to 3.9.5.
  * debian/patches/733359_bison3_compatibility.patch: Added.
    - Fix syntax for bison 3.x to fix FTBFS (closes: #733359).
  * debian/patches/series: Added.

 -- Debichem Team <debichem-devel@lists.alioth.debian.org>  Sun, 29 Dec 2013 01:53:13 +0100

rdkit (201306-2) unstable; urgency=low

  [ Daniel Leidert ]
  * debian/control (Build-Depends): Added python-imaging for pythonTestDirChem.
  * debian/rules (override_dh_auto_test): Fixed LD_LIBRARY_PATH to re-enable
    tests. Added path to rdchem.so to PYTHONPATH to fix pythonTestDirChem.

 -- Debichem Team <debichem-devel@lists.alioth.debian.org>  Thu, 01 Aug 2013 00:31:14 +0200

rdkit (201306-1) unstable; urgency=low

  * New upstream release.

  [ Daniel Leidert ]
  * debian/control (Vcs-Browser, Vcs-Svn): Fixed vcs-field-not-canonical.
  * debian/patches/fix_ftbfs_mtsss.patch: Dropped. Fix applied to upstream.
  * debian/patches/series: Removed.

 -- Debichem Team <debichem-devel@lists.alioth.debian.org>  Tue, 30 Jul 2013 01:58:06 +0200

rdkit (201303-1) unstable; urgency=low

  * New upstream release.

  [ Michael Banck ]
  * debian/patches/big-endian_support.patch: Removed, applied upstream.
  * debian/rules (override_dh_auto_test): Honor DEB_BUILD_OPTIONS=nocheck.
  * debian/rules (override_dh_auto_test): Ignore test suite failures for now.
  * debian/rules (override_dh_install): New target, run dh_numpy.

  [ Daniel Leidert ]
  * debian/control: Dropped DM-Upload-Allowed. Added Provides and
    XB-Python-Version for python package.
    (Build-Depends): Added libboost-system-dev and libboost-thread-dev.
    Added python-pandas for tests.
    (Standards-Version): Bumped to 3.9.4.
    (Section): Fixed binary-control-field-duplicates-source.
    (Depends): Added missing depends to library for dev package. Added
    fonts-freefont-ttf because python-rdkit uses FreeSans.ttf.
  * debian/copyright: Updated.
  * debian/librdkit1.lintian-overrides: Added.
  * debian/python-rdkit.links: Add link for FreeSans.ttf.
  * debian/rdkit-doc.doc-base: Added.
  * debian/rules: Enabled hardening. Installed upstream changelog.
    (override_dh_auto_configure): Added -DRDK_BUILD_THREADSAFE_SSS=ON,
    -DCMAKE_SKIP_RPATH and -DCMAKE_BUILD_TYPE=None.
    (override_dh_install): List missing files.
  * debian/patches/fix_ftbfs_mtsss.patch: Added.
    - Fix linkage of libRDBoost.so when using -DRDK_BUILD_THREADSAFE_SSS=ON.
  * debian/patches/series: Adjusted.

 -- Debichem Team <debichem-devel@lists.alioth.debian.org>  Sat, 25 May 2013 12:48:23 +0200

rdkit (201203-3) unstable; urgency=low

  * debian/patches/big-endian_support.patch: New patch, fixes big-endian
    architectures, taken from upstream revisions 2071, 2079, 2080 and 2140.
  * debian/rules (override_dh_auto_test): Activate testsuite again 
    (Closes: #678188).

 -- Michael Banck <mbanck@debian.org>  Sat, 28 Jul 2012 21:18:42 +0200

rdkit (201203-2) unstable; urgency=low

  * debian/rules (override_dh_auto_test): Deactivated for now 
    (Closes: #670053, #670054).

 -- Michael Banck <mbanck@debian.org>  Tue, 12 Jun 2012 13:45:10 +0200

rdkit (201203-1) unstable; urgency=low

  * New upstream release.

 -- Michael Banck <mbanck@debian.org>  Fri, 18 May 2012 15:09:10 +0200

rdkit (201112-1) unstable; urgency=low

  * New upstream release.  The RDKit book license has been clarified to
    Creative Commons Attribution-ShareAlike 3.0 License, so a stripped
    original tarball is no longer required.

  [ Michael Banck ]
  * debian/control (python-rdkit): Added python-numpy to Depends.
  * debian/rdkit-doc.install: Fix path (Closes: #661976).
  * debian/rules (override_dh_auto_test): Copy over python files into obj
    directory and set $PYTHONPATH correctly, thanks to Jakub Wilk.  Also set
    $RDBASE accordingly.
  * debian/rules (override_dh_auto_clean): New target, remove some files added
    during build which do not get removed by the default dh_auto_clean.

  [ Daniel Leidert (dale) ]
  * debian/watch: Added.

 -- Michael Banck <mbanck@debian.org>  Sun, 04 Mar 2012 19:50:59 +0100

rdkit (201106+dfsg-1) unstable; urgency=low

  * Initial upload (Closes: #640118).

 -- Michael Banck <mbanck@debian.org>  Sat, 03 Sep 2011 16:14:53 +0200