diff --git a/science/coordgenlibs/Makefile b/science/coordgenlibs/Makefile index e04cbdbaccf3..eae6ab9be9b8 100644 --- a/science/coordgenlibs/Makefile +++ b/science/coordgenlibs/Makefile @@ -1,32 +1,34 @@ PORTNAME= coordgenlibs DISTVERSIONPREFIX= v -DISTVERSION= 1.4.2 +DISTVERSION= 2.0.3 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org COMMENT= Schrodinger-developed 2D coordinate generation LICENSE= BSD3CLAUSE LICENSE_FILE= ${WRKSRC}/LICENSE BUILD_DEPENDS= ${LOCALBASE}/include/boost/dynamic_bitset.hpp:devel/boost-libs LIB_DEPENDS= libmaeparser.so:science/maeparser -USES= cmake compiler:c++11-lang localbase:ldflags +USES= cmake:testing compiler:c++11-lang localbase:ldflags +USE_LDCONFIG= yes + USE_GITHUB= yes GH_ACCOUNT= schrodinger -USE_LDCONFIG= yes DATADIR= ${LOCALBASE}/share/coordgen -CMAKE_ON= COORDGEN_USE_MAEPARSER -CMAKE_OFF= COORDGEN_BUILD_TESTS COORDGEN_BUILD_EXAMPLE +CMAKE_ON= COORDGEN_USE_MAEPARSER +CMAKE_OFF= COORDGEN_BUILD_TESTS COORDGEN_BUILD_EXAMPLE +CMAKE_TESTING_ON= COORDGEN_BUILD_TESTS COORDGEN_BUILD_EXAMPLE post-patch: # see https://github.com/schrodinger/coordgenlibs/issues/64 @${REINPLACE_CMD} 's|return getTempFileProjDir() + suffix;|return "${DATADIR}/templates.mae";|' ${WRKSRC}/sketcherMinimizer.cpp post-install: # see https://github.com/schrodinger/coordgenlibs/issues/64 ${MKDIR} ${STAGEDIR}${DATADIR} ${INSTALL_DATA} ${WRKSRC}/templates.mae ${STAGEDIR}${DATADIR} .include diff --git a/science/coordgenlibs/distinfo b/science/coordgenlibs/distinfo index c3a5265cc18e..522bc2a15217 100644 --- a/science/coordgenlibs/distinfo +++ b/science/coordgenlibs/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1602662859 -SHA256 (schrodinger-coordgenlibs-v1.4.2_GH0.tar.gz) = de8886db30fbb78d08d1532c21e710c5a967e5927e46866f07a9f7eab49d8b3c -SIZE (schrodinger-coordgenlibs-v1.4.2_GH0.tar.gz) = 155306 +TIMESTAMP = 1623389928 +SHA256 (schrodinger-coordgenlibs-v2.0.3_GH0.tar.gz) = 7db567ba988d9fa92918c174ee7a3ba99ee653ca7eef3bee321a3c4419aff515 +SIZE (schrodinger-coordgenlibs-v2.0.3_GH0.tar.gz) = 162607 diff --git a/science/coordgenlibs/files/patch-CMakeLists.txt b/science/coordgenlibs/files/patch-CMakeLists.txt new file mode 100644 index 000000000000..c9eb1f872341 --- /dev/null +++ b/science/coordgenlibs/files/patch-CMakeLists.txt @@ -0,0 +1,13 @@ +- see https://github.com/schrodinger/coordgenlibs/issues/100 + +--- CMakeLists.txt.orig 2021-06-11 05:40:44 UTC ++++ CMakeLists.txt +@@ -38,7 +38,7 @@ if(COORDGEN_RIGOROUS_BUILD) + if(MSVC) + add_definitions(/WX) + else(MSVC) +- add_definitions(-Wall -Wextra -Werror) ++ add_definitions(-Wall -Wextra) + endif(MSVC) + endif(COORDGEN_RIGOROUS_BUILD) + diff --git a/science/coordgenlibs/pkg-plist b/science/coordgenlibs/pkg-plist index e3aa72107a41..a4cf07d1562f 100644 --- a/science/coordgenlibs/pkg-plist +++ b/science/coordgenlibs/pkg-plist @@ -1,26 +1,26 @@ include/coordgen/CoordgenConfig.hpp include/coordgen/CoordgenFragmentBuilder.h include/coordgen/CoordgenFragmenter.h include/coordgen/CoordgenMacrocycleBuilder.h include/coordgen/CoordgenMinimizer.h include/coordgen/sketcherMinimizer.h include/coordgen/sketcherMinimizerAtom.h include/coordgen/sketcherMinimizerBendInteraction.h include/coordgen/sketcherMinimizerBond.h include/coordgen/sketcherMinimizerClashInteraction.h include/coordgen/sketcherMinimizerEZConstrainInteraction.h include/coordgen/sketcherMinimizerFragment.h include/coordgen/sketcherMinimizerInteraction.h include/coordgen/sketcherMinimizerMarchingSquares.h include/coordgen/sketcherMinimizerMaths.h include/coordgen/sketcherMinimizerMolecule.h include/coordgen/sketcherMinimizerResidue.h include/coordgen/sketcherMinimizerResidueInteraction.h include/coordgen/sketcherMinimizerRing.h include/coordgen/sketcherMinimizerStretchInteraction.h lib/cmake/coordgen-config-%%CMAKE_BUILD_TYPE%%.cmake lib/cmake/coordgen-config.cmake lib/libcoordgen.so -lib/libcoordgen.so.1 -lib/libcoordgen.so.1.4.2 +lib/libcoordgen.so.2 +lib/libcoordgen.so.2.0.3 %%DATADIR%%/templates.mae diff --git a/science/openbabel/Makefile b/science/openbabel/Makefile index 7f3c7a7abfe1..3b98322f741e 100644 --- a/science/openbabel/Makefile +++ b/science/openbabel/Makefile @@ -1,65 +1,66 @@ # Created by: ijliao PORTNAME= openbabel DISTVERSION= 3.1.1 +PORTREVISION= 1 DISTVERSIONSUFFIX= -source 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 LICENSE= GPLv2+ BUILD_DEPENDS= rapidjson>0:devel/rapidjson LIB_DEPENDS= libmaeparser.so:science/maeparser \ libcoordgen.so:science/coordgenlibs \ libboost_thread.so:devel/boost-libs CONFLICTS_INSTALL= babel-* USES= cmake compiler:c++11-lang eigen:3 gnome pkgconfig tar:bz2 USE_CXXSTD= gnu++98 USE_GNOME= libxml2 USE_LDCONFIG= yes CMAKE_ON= WITH_COORDGEN WITH_JSON OPENBABEL_USE_SYSTEM_RAPIDJSON WITH_MAEPARSER WRKSRC= ${WRKDIR}/${PORTNAME}-${PORTVERSION} PLIST_SUB= VERSION=3.1.0 # To be replaced by ${PORTVERSION} nexttime! OPTIONS_DEFINE= CAIRO PYTHON GUI OPTIONS_DEFAULT= CAIRO PYTHON GUI OPTIONS_SUB= yes CAIRO_DESC= PNG support via cairo library CAIRO_USE= GNOME=cairo PYTHON_USES= python PYTHON_CMAKE_BOOL= PYTHON_BINDINGS GUI_CMAKE_BOOL= BUILD_GUI GUI_CMAKE_ON= -DwxWidgets_CONFIG_EXECUTABLE:STRING=${WX_CONFIG} GUI_USE= WX=3.0 .include .if ${CHOSEN_COMPILER_TYPE} == gcc CXXFLAGS+= -Wno-narrowing USE_CXXSTD= c++11 .endif pre-configure: ${REINPLACE_CMD} -e '/pkgconfig/s,$${LIB_INSTALL_DIR},libdata,' \ ${WRKSRC}/CMakeLists.txt pre-configure-CAIRO-off: ${REINPLACE_CMD} -e '/find_package(Cairo)/d' \ ${WRKSRC}/CMakeLists.txt post-install-PYTHON-on: (cd ${STAGEDIR}${PREFIX} && ${PYTHON_CMD} ${PYTHON_LIBDIR}/compileall.py \ -d ${PREFIX} -f ${PYTHONPREFIX_SITELIBDIR:S,${PREFIX}/,,}) (cd ${STAGEDIR}${PREFIX} && ${PYTHON_CMD} -O ${PYTHON_LIBDIR}/compileall.py \ -d ${PREFIX} -f ${PYTHONPREFIX_SITELIBDIR:S,${PREFIX}/,,}) .include