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feat: update openbabel to 3.1.1+dfsg-10
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deepin-community-bot[bot] committed Jul 9, 2024
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1 change: 0 additions & 1 deletion .gitignore

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59 changes: 53 additions & 6 deletions debian/changelog
Original file line number Diff line number Diff line change
@@ -1,14 +1,61 @@
openbabel (3.1.1.1-deepin1) unstable; urgency=medium
openbabel (3.1.1+dfsg-10) unstable; urgency=medium

* add missing lib ctime
[ Drew Parsons ]
* update Homepage to https://openbabel.org

[ Andrius Merkys ]
* Restore compatibility with libxml (Closes: #1073327)

-- Andrius Merkys <merkys@debian.org> Mon, 01 Jul 2024 02:14:46 -0400

openbabel (3.1.1+dfsg-9) unstable; urgency=medium

* Remove dh_missing call from override_dh_install to fix arch:all build.

-- Andrius Merkys <merkys@debian.org> Thu, 01 Dec 2022 02:47:57 -0500

openbabel (3.1.1+dfsg-8) unstable; urgency=medium

* Acknowledge NMUs.
* Fix debian/watch to watch GitHub tags.
* Transition to wxwidgets3.2 (Closes: #1019808)
* Simplify a path in debian/copyright.
* Bump debhelper from old 12 to 13.
* Set upstream metadata fields: Repository-Browse.
* Update standards version to 4.6.1, no changes needed.
* Remove Homepage from debian/upstream/metadata.

-- Andrius Merkys <merkys@debian.org> Mon, 28 Nov 2022 10:26:44 -0500

openbabel (3.1.1+dfsg-7.2) unstable; urgency=medium

* Non-maintainer upload
* tests: further tune which tests to run with latest results from ci.d.n

-- Paul Gevers <elbrus@debian.org> Thu, 24 Nov 2022 13:15:37 +0100

openbabel (3.1.1+dfsg-7.1) unstable; urgency=medium

* Non-maintainer upload

[ Matthias Klose ]
* Make the autopkg tests more verbose, don't fail on the first failing test.
* Re-enable the tests on arm64.
* Skip the test/testroundtrip.py test on all architectures, times out
(Closes: #953630)
* Skip the testbindings.py and testsym.py tests on non amd64 architectures.

[ Paul Gevers ]
* Run all tests that don't timeout, but ignore specific failures on
specific architectures

-- ZhengJie-Niu <niuzj0@gmail.com> Wed, 07 Dec 2022 07:36:26 +0000
-- Paul Gevers <elbrus@debian.org> Sun, 20 Nov 2022 10:24:49 +0100

openbabel (3.1.1+dfsg-6.1-deepin1) unstalbe; urgency=medium
openbabel (3.1.1+dfsg-7) unstable; urgency=medium

* add missing lib ctime
* Include <ctime> in obutil.h (Closes: #1016227)

-- root <root@f34afac46ce7> Wed, 07 Dec 2022 07:32:43 +0000
-- Andrius Merkys <merkys@debian.org> Thu, 08 Sep 2022 08:29:09 -0400

openbabel (3.1.1+dfsg-6) unstable; urgency=medium

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8 changes: 4 additions & 4 deletions debian/control
Original file line number Diff line number Diff line change
Expand Up @@ -6,7 +6,7 @@ Uploaders: Michael Banck <mbanck@debian.org>,
Daniel Leidert <dleidert@debian.org>,
Andrius Merkys <merkys@debian.org>
Build-Depends: cmake,
debhelper-compat (= 12),
debhelper-compat (= 13),
dh-python,
doxygen,
ghostscript,
Expand All @@ -18,7 +18,7 @@ Build-Depends: cmake,
libinchi-dev,
libmaeparser-dev,
libperl-dev,
libwxgtk3.0-gtk3-dev,
libwxgtk3.2-dev,
libxml2-dev,
pkg-config,
python3-all,
Expand All @@ -30,9 +30,9 @@ Build-Depends: cmake,
texlive-latex-base,
texlive-latex-extra,
zlib1g-dev
Standards-Version: 4.5.0
Standards-Version: 4.6.1
Rules-Requires-Root: no
Homepage: http://openbabel.sourceforge.net
Homepage: https://openbabel.org
Vcs-Browser: https://salsa.debian.org/debichem-team/openbabel
Vcs-Git: https://salsa.debian.org/debichem-team/openbabel.git

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2 changes: 1 addition & 1 deletion debian/copyright
Original file line number Diff line number Diff line change
Expand Up @@ -180,7 +180,7 @@ Copyright: 2001-2008, Greg Landrum and Rational Discovery LLC
License: BSD-3-Clause


Files: ./data/SMARTS_InteLigand.txt
Files: data/SMARTS_InteLigand.txt
Copyright: 2005, Inte:Ligand Software-Entwicklungs und Consulting GmbH
License: LGPL-3

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7 changes: 7 additions & 0 deletions debian/gbp.conf
Original file line number Diff line number Diff line change
@@ -0,0 +1,7 @@
[DEFAULT]
pristine-tar = false
debian-branch = master
verbose = true

[buildpackage]
overlay = true
1 change: 1 addition & 0 deletions debian/libchemistry-openbabel-perl.install
Original file line number Diff line number Diff line change
@@ -0,0 +1 @@
usr/lib/*/perl5
2 changes: 2 additions & 0 deletions debian/not-installed
Original file line number Diff line number Diff line change
@@ -0,0 +1,2 @@
usr/bin/roundtrip
usr/share/man/man1/roundtrip.1
28 changes: 28 additions & 0 deletions debian/patches/7acf50c9d73f8016e15eb2a45ce74c8909152883.patch
Original file line number Diff line number Diff line change
@@ -0,0 +1,28 @@
From 3601e081f9ff8ae670d50ed47294a0c4f4760321 Mon Sep 17 00:00:00 2001
From: Andrius Merkys <andrius.merkys@gmail.com>
Date: Fri, 21 Jun 2024 14:23:31 +0300
Subject: [PATCH] Restore compatibility with libxml2 2.12.7.

---
src/formats/xml/xml.cpp | 3 +--
1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/src/formats/xml/xml.cpp b/src/formats/xml/xml.cpp
index 2042b0c298..6b4eb614c0 100644
--- a/src/formats/xml/xml.cpp
+++ b/src/formats/xml/xml.cpp
@@ -242,13 +242,12 @@ namespace OpenBabel

if(result==-1)
{
- xmlError* perr = xmlGetLastError();
+ const xmlError* perr = xmlGetLastError();
if(perr && perr->level!=XML_ERR_NONE)
{
obErrorLog.ThrowError("XML Parser " + GetInFilename(),
perr->message, obError);
}
- xmlResetError(perr);
GetInStream()->setstate(ios::eofbit);
return false;
}
12 changes: 12 additions & 0 deletions debian/patches/add-ctime.patch
Original file line number Diff line number Diff line change
@@ -0,0 +1,12 @@
Description: Add '#include <ctime>' as 'clock' is defined there (#1016227).
Author: Andrius Merkys <merkys@debian.org>
--- a/include/openbabel/obutil.h
+++ b/include/openbabel/obutil.h
@@ -37,6 +37,7 @@
#endif

#include <math.h>
+#include <ctime>

#ifndef M_PI
#define M_PI 3.14159265358979323846
11 changes: 0 additions & 11 deletions debian/patches/missing-lib.patch

This file was deleted.

3 changes: 2 additions & 1 deletion debian/patches/series
Original file line number Diff line number Diff line change
Expand Up @@ -2,4 +2,5 @@ remove_link_top.diff
7de27f309db5f7ec026ef5c5235e5b33bf7d1a85.patch
2315.patch
650b1f829ac47cc84877a330366ec9485da3ec99.patch
missing-lib.patch
add-ctime.patch
7acf50c9d73f8016e15eb2a45ce74c8909152883.patch
13 changes: 5 additions & 8 deletions debian/rules
Original file line number Diff line number Diff line change
Expand Up @@ -34,14 +34,11 @@ override_dh_auto_build:
dh_auto_build
make -C $(CURDIR)/builddir docs

override_dh_install:
dh_install -Nlibchemistry-openbabel-perl
dh_missing --list-missing -Nlibchemistry-openbabel-perl
mkdir -p $(CURDIR)/debian/tmp/$(PERL_ARCHLIB)
override_dh_auto_install:
dh_auto_install
mkdir --parents $(CURDIR)/debian/tmp/$(PERL_ARCHLIB)
mv debian/tmp/usr/lib/$(DEB_HOST_MULTIARCH)/auto debian/tmp/usr/lib/$(DEB_HOST_MULTIARCH)/Chemistry \
$(CURDIR)/debian/tmp/$(PERL_ARCHLIB)
dh_install -plibchemistry-openbabel-perl -Xperllocal.pod --autodest $(PERL_ARCHLIB)
dh_missing --list-missing -plibchemistry-openbabel-perl -Xperllocal.pod
$(CURDIR)/debian/tmp/$(PERL_ARCHLIB)

override_dh_installexamples:
dh_installexamples -X.pyc
Expand All @@ -50,7 +47,7 @@ override_dh_installdocs:
dh_installdocs -X.js

override_dh_compress:
dh_compress -Xusr/share/doc/libopenbabel-dev/html/ \
dh_compress -Xusr/share/doc/libopenbabel-dev/html \
-Xusr/share/doc/python3-openbabel/examples

override_dh_auto_test:
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3 changes: 3 additions & 0 deletions debian/salsa-ci.yml
Original file line number Diff line number Diff line change
@@ -0,0 +1,3 @@
include:
- https://salsa.debian.org/salsa-ci-team/pipeline/raw/master/salsa-ci.yml
- https://salsa.debian.org/salsa-ci-team/pipeline/raw/master/pipeline-jobs.yml
52 changes: 50 additions & 2 deletions debian/tests/python3
Original file line number Diff line number Diff line change
@@ -1,10 +1,58 @@
#!/bin/bash

test "$(dpkg --print-architecture)" = arm64 && exit 77
set -e

sed -i 's/"\.\."/"\/usr"/' test/testbabel.py

arch=$(dpkg --print-architecture)
fails=
for TEST in test/test*.py
do
python3 ${TEST}
fail_on_failure=true
case $TEST in
test/testroundtrip.py)
# timesout?
echo "Skipping ${TEST} ..."
continue;;
test/testdistgeom.py)
case "$arch" in amd64|armel)
# timesout on ci.d.n worker13
# takes very long on armel
echo "Skipping ${TEST} ..."
continue;;
esac;;
test/testbindings.py)
case "$arch" in
amd64)
true;;
*)
fail_on_failure=false;;
esac;;
test/testsym.py)
# on most/all non-amd64 architecture it fails
# if it finishes at all, it takes a very long time
# on worker13, the test takes 1000 times longer than on other amd64 hosts
echo "Skipping ${TEST} ..."
continue;;
test/testobconv_writers.py)
case "$arch" in arm64|i386|ppc64el|s390x)
fail_on_failure=false;;
esac;;
esac
echo "Running ${TEST} ..."
if python3 ${TEST}; then
:
else
if [ $fail_on_failure = "false" ] ; then
echo "Ignoring ${TEST} on $arch ..."
else
fails="$fails $TEST"
fi
fi
done

if [ -n "$fails" ]; then
echo "Failing tests: $fails"
exit 1
fi
exit 0
2 changes: 1 addition & 1 deletion debian/upstream/metadata
Original file line number Diff line number Diff line change
@@ -1,6 +1,5 @@
Bug-Database: https://github.com/openbabel/openbabel/issues
Bug-Submit: https://github.com/openbabel/openbabel/issues/new
Homepage: http://openbabel.org
FAQ: http://openbabel.org/wiki/FAQ
Reference:
- Debian-Package: openbabel
Expand All @@ -23,3 +22,4 @@ Reference:
URL: http://journal.chemistrycentral.com/content/2/1/5
eprint: http://journal.chemistrycentral.com/content/pdf/1752-153X-2-5.pdf
DOI: 10.1186/1752-153X-2-5
Repository-Browse: https://github.com/openbabel/openbabel
6 changes: 3 additions & 3 deletions debian/watch
Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
version=4
opts="repacksuffix=+dfsg,dversionmangle=s/\+dfsg//,repack,compression=xz" \
https://github.com/openbabel/openbabel/releases \
(?:.*?/)?openbabel-(\d[\d.]*)-source\.tar\.bz2
opts="filenamemangle=s%(?:.*?)?v?(\d[\d.]*@ARCHIVE_EXT@)%@PACKAGE@-$1%,repacksuffix=+dfsg,dversionmangle=auto,uversionmangle=s/-/./g,repack,compression=xz" \
https://github.com/openbabel/openbabel/tags \
(?:.*?/)?openbabel-@ANY_VERSION@@ARCHIVE_EXT@

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