Date: Thu, 28 May 2026 02:43:11 +0000 From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org Subject: git: 951377579d29 - main - science/openbabel: update 3.1.1-178=?utf-8?Q? =E2=86=92 3.2?=.0 Message-ID: <6a17abbf.30781.8e4ac4c@gitrepo.freebsd.org>
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The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=951377579d29452a23d861d5a25dc093d32cc089 commit 951377579d29452a23d861d5a25dc093d32cc089 Author: Yuri Victorovich <yuri@FreeBSD.org> AuthorDate: 2026-05-28 02:37:15 +0000 Commit: Yuri Victorovich <yuri@FreeBSD.org> CommitDate: 2026-05-28 02:43:02 +0000 science/openbabel: update 3.1.1-178 → 3.2.0 --- science/avogadro2/Makefile | 1 + science/gchemutils/Makefile | 2 +- science/kalzium/Makefile | 2 +- science/libghemical/Makefile | 2 +- science/luscus/Makefile | 2 +- science/molsketch/Makefile | 1 + science/openbabel/Makefile | 20 ++++++++------------ science/openbabel/distinfo | 6 +++--- science/openbabel/pkg-plist | 10 ++++++---- science/v_sim/Makefile | 2 +- science/xcrysden/Makefile | 2 +- science/xdrawchem/Makefile | 1 + 12 files changed, 26 insertions(+), 25 deletions(-) diff --git a/science/avogadro2/Makefile b/science/avogadro2/Makefile index a700ba14da24..6c27820fbef0 100644 --- a/science/avogadro2/Makefile +++ b/science/avogadro2/Makefile @@ -1,5 +1,6 @@ PORTNAME= avogadro2 DISTVERSION= 2.0.0 +PORTREVISION= 1 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org diff --git a/science/gchemutils/Makefile b/science/gchemutils/Makefile index 644ef599a5f7..0d4263223fd5 100644 --- a/science/gchemutils/Makefile +++ b/science/gchemutils/Makefile @@ -1,6 +1,6 @@ PORTNAME= gchemutils PORTVERSION= 0.14.17 -PORTREVISION= 5 +PORTREVISION= 6 CATEGORIES= science MASTER_SITES= SAVANNAH/${PORTNAME}/${PORTVERSION:R} DISTNAME= gnome-chemistry-utils-${PORTVERSION} diff --git a/science/kalzium/Makefile b/science/kalzium/Makefile index 8a6ab473699a..ae8b8f5a68b2 100644 --- a/science/kalzium/Makefile +++ b/science/kalzium/Makefile @@ -1,6 +1,6 @@ PORTNAME= kalzium DISTVERSION= ${KDE_APPLICATIONS_VERSION} -PORTREVISION= 1 +PORTREVISION= 2 CATEGORIES= science education kde kde-applications MAINTAINER= kde@FreeBSD.org diff --git a/science/libghemical/Makefile b/science/libghemical/Makefile index c23677d26399..216608f51a67 100644 --- a/science/libghemical/Makefile +++ b/science/libghemical/Makefile @@ -1,6 +1,6 @@ PORTNAME= libghemical PORTVERSION= 3.0.0 -PORTREVISION= 21 +PORTREVISION= 22 CATEGORIES= science MASTER_SITES= http://bioinformatics.org/ghemical/download/release20111012/ \ http://bioinformatics.org/ghemical/download/current/ diff --git a/science/luscus/Makefile b/science/luscus/Makefile index 45960a841f19..7e8d99a22bf1 100644 --- a/science/luscus/Makefile +++ b/science/luscus/Makefile @@ -1,6 +1,6 @@ PORTNAME= luscus DISTVERSION= 0.8.6 -PORTREVISION= 4 +PORTREVISION= 5 CATEGORIES= science MASTER_SITES= SF/${PORTNAME}/ DISTNAME= ${PORTNAME}_${DISTVERSION} diff --git a/science/molsketch/Makefile b/science/molsketch/Makefile index c071685b4325..490fa53a817e 100644 --- a/science/molsketch/Makefile +++ b/science/molsketch/Makefile @@ -1,5 +1,6 @@ PORTNAME= molsketch DISTVERSION= 0.8.2 +PORTREVISION= 1 DISTVERSIONSUFFIX= -src CATEGORIES= science MASTER_SITES= SF/${PORTNAME}/Molsketch/ diff --git a/science/openbabel/Makefile b/science/openbabel/Makefile index 0dc26cebd570..c9362d756734 100644 --- a/science/openbabel/Makefile +++ b/science/openbabel/Makefile @@ -1,14 +1,12 @@ PORTNAME= openbabel -DISTVERSION= 3-1-1-178 -PORTREVISION= 6 -#DISTVERSIONSUFFIX= -source -DISTVERSIONSUFFIX= -g2b211d6ac +DISTVERSIONPREFIX= ${PORTNAME}- +DISTVERSION= 3-2-0 CATEGORIES= science -#MASTER_SITES= https://github.com/openbabel/openbabel/releases/download/openbabel-${PORTVERSION:C/\./-/g}/ MAINTAINER= yuri@FreeBSD.org COMMENT= Chemical toolbox designed to speak the many languages of chemical data -WWW= https://openbabel.org/wiki/Main_Page +WWW= https://openbabel.org/ \ + https://github.com/openbabel/openbabel LICENSE= GPLv2+ @@ -17,22 +15,20 @@ LIB_DEPENDS= libmaeparser.so:science/maeparser \ libcoordgen.so:science/coordgenlibs \ libboost_thread.so:devel/boost-libs -CONFLICTS_INSTALL= babel - USES= cmake:testing compiler:c++11-lang eigen:3 gnome perl5 pkgconfig tar:bz2 USE_CXXSTD= c++11 USE_GNOME= libxml2 USE_LDCONFIG= yes -USE_GITHUB= yes # temporary +USE_GITHUB= yes USE_PERL5= build CMAKE_ON= WITH_COORDGEN WITH_JSON OPENBABEL_USE_SYSTEM_RAPIDJSON WITH_MAEPARSER CMAKE_OFF= ENABLE_TESTS PYTHON_BINDINGS CMAKE_TESTING_ON= ENABLE_TESTS -#WRKSRC= ${WRKDIR}/${PORTNAME}-${PORTVERSION} +CONFLICTS_INSTALL= babel -PLIST_SUB= VERSION=${PORTVERSION:R} +PLIST_SUB= VERSION=${PORTVERSION} OPTIONS_DEFINE= CAIRO GUI OPTIONS_DEFAULT= CAIRO GUI @@ -66,6 +62,6 @@ post-install-PYTHON-on: (cd ${STAGEDIR}${PREFIX} && ${PYTHON_CMD} -O ${PYTHON_LIBDIR}/compileall.py \ -d ${PREFIX} -f ${PYTHONPREFIX_SITELIBDIR:S,${PREFIX}/,,}) -# 2 tests fail, see https://github.com/openbabel/openbabel/issues/2604 +# tests as of 3.2.0: 100% tests passed, 0 tests failed out of 337 .include <bsd.port.post.mk> diff --git a/science/openbabel/distinfo b/science/openbabel/distinfo index 8164fd7c673b..0493440f3997 100644 --- a/science/openbabel/distinfo +++ b/science/openbabel/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1688103397 -SHA256 (openbabel-openbabel-3-1-1-178-g2b211d6ac_GH0.tar.gz) = 86c4922526a5b16cd08ba187413ce6b8145705bdeb1b5dbbe0c3eb4d2bf91269 -SIZE (openbabel-openbabel-3-1-1-178-g2b211d6ac_GH0.tar.gz) = 36848606 +TIMESTAMP = 1779861753 +SHA256 (openbabel-openbabel-openbabel-3-2-0_GH0.tar.gz) = 9aadf9f01b3d0ff15d49fcd28d7d76b923218d70bf10f99ea4cc466607f4c7e2 +SIZE (openbabel-openbabel-openbabel-3-2-0_GH0.tar.gz) = 37815471 diff --git a/science/openbabel/pkg-plist b/science/openbabel/pkg-plist index 5d8e38185fe6..ca78e2c9df0e 100644 --- a/science/openbabel/pkg-plist +++ b/science/openbabel/pkg-plist @@ -65,6 +65,7 @@ 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 @@ -113,11 +114,11 @@ lib/cmake/openbabel3/OpenBabel3ConfigVersion.cmake lib/cmake/openbabel3/OpenBabel3_EXPORTS-%%CMAKE_BUILD_TYPE%%.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/%%VERSION%%/APIInterface.so lib/openbabel/%%VERSION%%/CSRformat.so lib/openbabel/%%VERSION%%/MCDLformat.so @@ -181,6 +182,7 @@ lib/openbabel/%%VERSION%%/gulpformat.so lib/openbabel/%%VERSION%%/hinformat.so lib/openbabel/%%VERSION%%/inchiformat.so lib/openbabel/%%VERSION%%/jaguarformat.so +lib/openbabel/%%VERSION%%/ketformat.so lib/openbabel/%%VERSION%%/lmpdatformat.so lib/openbabel/%%VERSION%%/lpmdformat.so lib/openbabel/%%VERSION%%/maeformat.so diff --git a/science/v_sim/Makefile b/science/v_sim/Makefile index fa8d4d9e7fa2..78fa5b26f50e 100644 --- a/science/v_sim/Makefile +++ b/science/v_sim/Makefile @@ -1,6 +1,6 @@ PORTNAME= v_sim DISTVERSION= 3.9.1 -PORTREVISION= 2 +PORTREVISION= 3 CATEGORIES= science MAINTAINER= thierry@FreeBSD.org diff --git a/science/xcrysden/Makefile b/science/xcrysden/Makefile index e955d86e19f4..c237f4cb959a 100644 --- a/science/xcrysden/Makefile +++ b/science/xcrysden/Makefile @@ -1,6 +1,6 @@ PORTNAME= xcrysden PORTVERSION= 1.6.2 -PORTREVISION= 4 +PORTREVISION= 5 CATEGORIES= science MASTER_SITES= http://www.xcrysden.org/download/ diff --git a/science/xdrawchem/Makefile b/science/xdrawchem/Makefile index 1107c82018c2..926a78490b15 100644 --- a/science/xdrawchem/Makefile +++ b/science/xdrawchem/Makefile @@ -1,5 +1,6 @@ PORTNAME= xdrawchem DISTVERSION= 1.11.1-2 +PORTREVISION= 1 CATEGORIES= science MAINTAINER= yuri@FreeBSD.orghome | help
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