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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
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