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openbabel: update to 3.2.0 release
Module Name: pkgsrc-wip
Committed By: pin <voidpin%protonmail.com@localhost>
Pushed By: pin
Date: Mon Jun 22 07:44:20 2026 +0200
Changeset: 5c1d1e0afa935b3075d5fc1b2905ed4eff74bc23
Modified Files:
openbabel/Makefile
openbabel/PLIST
openbabel/buildlink3.mk
openbabel/distinfo
openbabel/patches/patch-CMakeLists.txt
openbabel/patches/patch-tools_CMakeLists.txt
Removed Files:
openbabel/patches/patch-doc_examples_static__executable_CMakeLists.txt
openbabel/patches/patch-scripts_CMakeLists.txt
openbabel/patches/patch-test_CMakeLists.txt
Log Message:
openbabel: update to 3.2.0 release
Upgrade candidate to biology/openbabel
(it should actually be chemistry and not biology ...)
To see a diff of this commit:
https://wip.pkgsrc.org/cgi-bin/gitweb.cgi?p=pkgsrc-wip.git;a=commitdiff;h=5c1d1e0afa935b3075d5fc1b2905ed4eff74bc23
Please note that diffs are not public domain; they are subject to the
copyright notices on the relevant files.
diffstat:
openbabel/Makefile | 4 +--
openbabel/PLIST | 10 +++---
openbabel/buildlink3.mk | 4 +--
openbabel/distinfo | 13 +++----
openbabel/patches/patch-CMakeLists.txt | 40 +++-------------------
...-doc_examples_static__executable_CMakeLists.txt | 15 --------
openbabel/patches/patch-scripts_CMakeLists.txt | 12 -------
openbabel/patches/patch-test_CMakeLists.txt | 14 --------
openbabel/patches/patch-tools_CMakeLists.txt | 4 +--
9 files changed, 21 insertions(+), 95 deletions(-)
diffs:
diff --git a/openbabel/Makefile b/openbabel/Makefile
index 7e9d4a3fcd..402bd7f647 100644
--- a/openbabel/Makefile
+++ b/openbabel/Makefile
@@ -1,9 +1,9 @@
# $NetBSD: Makefile,v 1.79 2025/04/24 14:13:19 wiz Exp $
-DISTNAME= openbabel-3.1.2
+DISTNAME= openbabel-3.2.0
CATEGORIES= biology
MASTER_SITES= ${MASTER_SITE_GITHUB:=openbabel/}
-GITHUB_TAG= 889c350feb179b43aa43985799910149d4eaa2bc
+GITHUB_TAG= openbabel-${PKGVERSION_NOREV:S/./-/g}
MAINTAINER= pkgsrc-users%NetBSD.org@localhost
HOMEPAGE= http://openbabel.org/
diff --git a/openbabel/PLIST b/openbabel/PLIST
index 3358fcc495..bac509cfc3 100644
--- a/openbabel/PLIST
+++ b/openbabel/PLIST
@@ -66,6 +66,7 @@ include/openbabel3/openbabel/kekulize.h
include/openbabel3/openbabel/kinetics.h
include/openbabel3/openbabel/lineend.h
include/openbabel3/openbabel/locale.h
+include/openbabel3/openbabel/macrocycle.h
include/openbabel3/openbabel/math/align.h
include/openbabel3/openbabel/math/erf.h
include/openbabel3/openbabel/math/matrix3x3.h
@@ -114,11 +115,11 @@ lib/cmake/openbabel3/OpenBabel3ConfigVersion.cmake
lib/cmake/openbabel3/OpenBabel3_EXPORTS-release.cmake
lib/cmake/openbabel3/OpenBabel3_EXPORTS.cmake
lib/libinchi.so
-lib/libinchi.so.0
-lib/libinchi.so.0.4.1
+lib/libinchi.so.1
+lib/libinchi.so.1.07.4
lib/libopenbabel.so
-lib/libopenbabel.so.7
-lib/libopenbabel.so.7.0.0
+lib/libopenbabel.so.8
+lib/libopenbabel.so.8.0.0
lib/openbabel/${PKGVERSION}/APIInterface.so
lib/openbabel/${PKGVERSION}/CSRformat.so
lib/openbabel/${PKGVERSION}/MCDLformat.so
@@ -182,6 +183,7 @@ lib/openbabel/${PKGVERSION}/gulpformat.so
lib/openbabel/${PKGVERSION}/hinformat.so
lib/openbabel/${PKGVERSION}/inchiformat.so
lib/openbabel/${PKGVERSION}/jaguarformat.so
+lib/openbabel/${PKGVERSION}/ketformat.so
lib/openbabel/${PKGVERSION}/lmpdatformat.so
lib/openbabel/${PKGVERSION}/lpmdformat.so
lib/openbabel/${PKGVERSION}/maeformat.so
diff --git a/openbabel/buildlink3.mk b/openbabel/buildlink3.mk
index 1d0c48d190..177313d2f4 100644
--- a/openbabel/buildlink3.mk
+++ b/openbabel/buildlink3.mk
@@ -6,8 +6,8 @@ BUILDLINK_TREE+= openbabel
OPENBABEL_BUILDLINK3_MK:=
BUILDLINK_API_DEPENDS.openbabel+= openbabel>=3.0.0nb1
-BUILDLINK_ABI_DEPENDS.openbabel?= openbabel>=3.1.1nb35
-BUILDLINK_PKGSRCDIR.openbabel?= ../../wip/openbabel
+BUILDLINK_ABI_DEPENDS.openbabel?= openbabel>=3.2.0
+BUILDLINK_PKGSRCDIR.openbabel?= ../../biology/openbabel
.include "../../graphics/cairo/buildlink3.mk"
.include "../../devel/zlib/buildlink3.mk"
diff --git a/openbabel/distinfo b/openbabel/distinfo
index f3d4d8d522..a1dfadc1fa 100644
--- a/openbabel/distinfo
+++ b/openbabel/distinfo
@@ -1,10 +1,7 @@
$NetBSD: distinfo,v 1.15 2025/01/31 15:49:47 wiz Exp $
-BLAKE2s (openbabel-3.1.2-889c350feb179b43aa43985799910149d4eaa2bc.tar.gz) = 850a95cf66818ba949d04a5099d91f822b3e3a0eb2674978e190415827ac83c1
-SHA512 (openbabel-3.1.2-889c350feb179b43aa43985799910149d4eaa2bc.tar.gz) = 44340c3d08b22783cf6a702c192480869b73fef21104641feaf5cbcd51f693fd17bb05ad31a3520f330aa57733d6f4be707b3c1243b3010d6ceccca8974e732f
-Size (openbabel-3.1.2-889c350feb179b43aa43985799910149d4eaa2bc.tar.gz) = 36864825 bytes
-SHA1 (patch-CMakeLists.txt) = ca891ea9fbe94fc1329038daa5e799b723b7451f
-SHA1 (patch-doc_examples_static__executable_CMakeLists.txt) = bb856e98c870e91d8e7047eaf3654c5951dc27f4
-SHA1 (patch-scripts_CMakeLists.txt) = 0ceae9b607a985492a001f21d706482ae48c936a
-SHA1 (patch-test_CMakeLists.txt) = f9d7a528c5476dd2f53346b2ab820211c6bdc385
-SHA1 (patch-tools_CMakeLists.txt) = bcdaea1a9cd19b5c25e85d87b619433a1cec0ad0
+BLAKE2s (openbabel-3.2.0.tar.gz) = 5e6cb4f6678823547d520163da22c6afdf32bce4c8555562a332026b0ef705b5
+SHA512 (openbabel-3.2.0.tar.gz) = 0def0b8c6185ec648c41b32c9c2963329f764b57105efe895fa435fd2ee4878b70141b0ac9e80dddbc82e2ca95281955f612a21ba0dd5c0e7ef715061acf8234
+Size (openbabel-3.2.0.tar.gz) = 37815471 bytes
+SHA1 (patch-CMakeLists.txt) = 8344c3e5cf318fb0f117f499837ebcf86370fb9f
+SHA1 (patch-tools_CMakeLists.txt) = e938dc4459e991e8654b69e10207ca925ab1827d
diff --git a/openbabel/patches/patch-CMakeLists.txt b/openbabel/patches/patch-CMakeLists.txt
index 30f7c95f60..79763f056b 100644
--- a/openbabel/patches/patch-CMakeLists.txt
+++ b/openbabel/patches/patch-CMakeLists.txt
@@ -1,42 +1,10 @@
$NetBSD$
-First two chunks:
-https://github.com/openbabel/openbabel/pull/2784
+Remove obsolete variable.
-rest:
-Remove obsolete variable and bump minor version.
-
---- CMakeLists.txt.orig 2024-12-21 00:24:53.000000000 +0000
+--- CMakeLists.txt.orig 2026-06-22 05:11:30.535235428 +0000
+++ CMakeLists.txt
-@@ -1,6 +1,6 @@
--# Please ensure that any changes remain compliant with 3.1.
-+# Please ensure that any changes remain compliant with 3.10.
- if(NOT EMBED_OPENBABEL)
-- cmake_minimum_required(VERSION 3.1)
-+ cmake_minimum_required(VERSION 3.10)
- endif()
-
- project(openbabel)
-@@ -10,9 +10,6 @@ set (CMAKE_CXX_STANDARD 11)
-
- if(COMMAND cmake_policy)
- cmake_policy(SET CMP0003 NEW)
-- if(POLICY CMP0042)
-- cmake_policy(SET CMP0042 OLD)
-- endif()
- endif()
-
- include (CheckCXXCompilerFlag)
-@@ -24,7 +21,7 @@ include (CheckCXXCompilerFlag)
- # had too many 1.100.1 releases. :-)
- set(BABEL_MAJ_VER 3)
- set(BABEL_MIN_VER 1)
--set(BABEL_PATCH_VER 1)
-+set(BABEL_PATCH_VER 2)
-
- # This should be phased out in preference for just using the target name
- set(BABEL_LIBRARY openbabel)
-@@ -317,7 +314,7 @@ endif()
+@@ -318,7 +318,7 @@ find_package(Boost COMPONENTS program_options iostream
find_package(Boost COMPONENTS program_options iostreams)
if(Boost_FOUND)
@@ -45,7 +13,7 @@ Remove obsolete variable and bump minor version.
endif()
# Intel C++ Compiler
-@@ -438,7 +435,7 @@ endif()
+@@ -482,7 +482,7 @@ if(Boost_FOUND)
find_package(Boost COMPONENTS filesystem iostreams unit_test_framework)
if(Boost_FOUND)
diff --git a/openbabel/patches/patch-doc_examples_static__executable_CMakeLists.txt b/openbabel/patches/patch-doc_examples_static__executable_CMakeLists.txt
deleted file mode 100644
index c4c8397326..0000000000
--- a/openbabel/patches/patch-doc_examples_static__executable_CMakeLists.txt
+++ /dev/null
@@ -1,15 +0,0 @@
-$NetBSD$
-
-https://github.com/openbabel/openbabel/pull/2784
-
---- doc/examples/static_executable/CMakeLists.txt.orig 2024-12-21 00:24:53.000000000 +0000
-+++ doc/examples/static_executable/CMakeLists.txt
-@@ -25,7 +25,7 @@
- #
-
- # This line is required for cmake backwards compatibility.
--cmake_minimum_required(VERSION 2.6)
-+cmake_minimum_required(VERSION 3.10)
-
- # Name of your project
- project(myproject)
diff --git a/openbabel/patches/patch-scripts_CMakeLists.txt b/openbabel/patches/patch-scripts_CMakeLists.txt
deleted file mode 100644
index f228976acb..0000000000
--- a/openbabel/patches/patch-scripts_CMakeLists.txt
+++ /dev/null
@@ -1,12 +0,0 @@
-$NetBSD$
-
-https://github.com/openbabel/openbabel/pull/2784
-
---- scripts/CMakeLists.txt.orig 2024-12-21 00:24:53.000000000 +0000
-+++ scripts/CMakeLists.txt
-@@ -1,4 +1,4 @@
--cmake_minimum_required(VERSION 2.6.0)
-+cmake_minimum_required(VERSION 3.10.0)
- # Library versioning (used in Mac Python bindings)x
- set(SOVERSION 4)
-
diff --git a/openbabel/patches/patch-test_CMakeLists.txt b/openbabel/patches/patch-test_CMakeLists.txt
deleted file mode 100644
index ba7eec8700..0000000000
--- a/openbabel/patches/patch-test_CMakeLists.txt
+++ /dev/null
@@ -1,14 +0,0 @@
-$NetBSD$
-
-https://github.com/openbabel/openbabel/pull/2784
-
---- test/CMakeLists.txt.orig 2024-12-21 00:24:53.000000000 +0000
-+++ test/CMakeLists.txt
-@@ -152,6 +152,7 @@ endif()
-
- add_executable(test_runner ${srclist} obtest.cpp)
- target_link_libraries(test_runner ${libs})
-+set_target_properties(test_runner PROPERTIES ENABLE_EXPORTS TRUE)
-
- if(NOT BUILD_SHARED AND NOT BUILD_MIXED)
- set_target_properties(test_runner PROPERTIES LINK_SEARCH_END_STATIC TRUE)
diff --git a/openbabel/patches/patch-tools_CMakeLists.txt b/openbabel/patches/patch-tools_CMakeLists.txt
index c65dda2c04..8f065d09ce 100644
--- a/openbabel/patches/patch-tools_CMakeLists.txt
+++ b/openbabel/patches/patch-tools_CMakeLists.txt
@@ -2,9 +2,9 @@ $NetBSD$
Remove obsolete variable.
---- tools/CMakeLists.txt.orig 2025-08-06 11:04:19.454854216 +0000
+--- tools/CMakeLists.txt.orig 2026-06-22 05:15:09.677983564 +0000
+++ tools/CMakeLists.txt
-@@ -5,7 +5,7 @@ if(MINIMAL_BUILD)
+@@ -5,7 +5,7 @@ else(MINIMAL_BUILD)
else(MINIMAL_BUILD)
find_package(Boost COMPONENTS program_options iostreams)
if(Boost_FOUND)
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