diff --git a/science/rdkit/Makefile b/science/rdkit/Makefile index 040377eb09d9..3f757389dbb3 100644 --- a/science/rdkit/Makefile +++ b/science/rdkit/Makefile @@ -1,80 +1,79 @@ PORTNAME= rdkit DISTVERSIONPREFIX= Release_ -DISTVERSION= 2022_03_2 -PORTREVISION= 1 +DISTVERSION= 2022_03_3 CATEGORIES= science MASTER_SITES= https://fonts.google.com/download?family=Comic%20Neue&dummy=/:font DISTFILES= Comic_Neue.zip:font DIST_SUBDIR= ${PORTNAME}-${PORTVERSION} MAINTAINER= yuri@FreeBSD.org COMMENT= Collection of cheminformatics and machine-learning software LICENSE= BSD3CLAUSE LICENSE_FILE= ${WRKSRC}/license.txt BROKEN_i386= non-constant-expression cannot be narrowed from type 'unsigned int' to 'npy_intp', see https://github.com/rdkit/rdkit/issues/4934 BUILD_DEPENDS= catch>0:devel/catch \ flex:textproc/flex \ rapidjson>=0:devel/rapidjson LIB_DEPENDS= libboost_system.so:devel/boost-libs \ libcoordgen.so:science/coordgenlibs \ libfreetype.so:print/freetype2 \ libmaeparser.so:science/maeparser USES= bison:build cmake compiler:c++11-lang eigen:3 python:3.7+ USE_GITHUB= yes GH_TUPLE= rareylab:RingDecomposerLib:v1.1.3_rdkit:RingDecomposerLib/External/RingFamilies/RingDecomposerLib USE_LDCONFIG= yes CMAKE_OFF= RDK_INSTALL_INTREE RDK_USE_FLEXBISON \ RDK_INSTALL_STATIC_LIBS RDK_SWIG_STATIC RDK_PGSQL_STATIC \ RDK_OPTIMIZE_NATIVE \ RDK_BUILD_CPP_TESTS CMAKE_ARGS= -DCATCH_DIR=${LOCALBASE}/include/catch2 DATADIR= ${PREFIX}/share/RDKit DOCSDIR= ${PREFIX}/share/doc/RDKit PLIST_SUB= SHLIB_VER=${PORTVERSION} OPTIONS_DEFINE= DOCS PGSQL PYTHON OPTIONS_DEFAULT= PYTHON OPTIONS_SUB= yes DOCS_CMAKE_BOOL= FREEBSD_INSTALL_DOCS DOCS_CMAKE_ON= -DFREEBSD_DOCSDIR:PATH=${DOCSDIR} PGSQL_USES= pgsql PGSQL_DESC= Build the PostgreSQL cartridge PGSQL_CMAKE_BOOL= RDK_BUILD_PGSQL PYTHON_CMAKE_BOOL= RDK_BUILD_PYTHON_WRAPPERS PYTHON_BUILD_DEPENDS= ${PYNUMPY} PYTHON_LIB_DEPENDS= ${PY_BOOST} PYTHON_RUN_DEPENDS= ${PYNUMPY} \ ${PY_PILLOW} \ ${PYTHON_PKGNAMEPREFIX}matplotlib>0:math/py-matplotlib@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}reportlab>0:print/py-reportlab@${PY_FLAVOR} PORTDOCS= * .include .if ${ARCH} == aarch64 || ${ARCH} == amd64 || ${ARCH:Marm*} || ${ARCH} == i386 || ${ARCH:Mmips*el*} || ${ARCH} == riscv PLIST_SUB+= LITTLE_ENDIAN="" .else PLIST_SUB+= LITTLE_ENDIAN="@comment " .endif post-extract: @${MKDIR} ${WRKSRC}/External/rapidjson-1.1.0 @cd ${WRKSRC}/External/rapidjson-1.1.0 && ${LN} -s ${LOCALBASE}/include/rapidjson include @cd ${WRKSRC}/Data/Fonts && unzip ${DISTDIR}/${DIST_SUBDIR}/Comic_Neue.zip post-stage: # https://github.com/rdkit/rdkit/issues/2094 #@${MKDIR} ${STAGEDIR}${PREFIX}/lib/cmake #@${MV} ${STAGEDIR}${PREFIX}/lib/*.cmake ${STAGEDIR}${PREFIX}/lib/cmake .include diff --git a/science/rdkit/distinfo b/science/rdkit/distinfo index ce12eb8d7743..5280e6cec246 100644 --- a/science/rdkit/distinfo +++ b/science/rdkit/distinfo @@ -1,7 +1,7 @@ -TIMESTAMP = 1650915023 -SHA256 (rdkit-2022.03.2/Comic_Neue.zip) = b90d32da89882e5eea971682a83efa0feac9e5d9db1e43070c9eea7a87f96ff5 -SIZE (rdkit-2022.03.2/Comic_Neue.zip) = 180686 -SHA256 (rdkit-2022.03.2/rdkit-rdkit-Release_2022_03_2_GH0.tar.gz) = e06ac1ea39a3200d27aef4d77745bba27fadfcac22bb115ffa204707487e9ae1 -SIZE (rdkit-2022.03.2/rdkit-rdkit-Release_2022_03_2_GH0.tar.gz) = 78559576 -SHA256 (rdkit-2022.03.2/rareylab-RingDecomposerLib-v1.1.3_rdkit_GH0.tar.gz) = 944b5816712a48bbf88aa25d4300ce11871ddf6e971218eac08f90ed2192f715 -SIZE (rdkit-2022.03.2/rareylab-RingDecomposerLib-v1.1.3_rdkit_GH0.tar.gz) = 137931 +TIMESTAMP = 1654233700 +SHA256 (rdkit-2022.03.3/Comic_Neue.zip) = b90d32da89882e5eea971682a83efa0feac9e5d9db1e43070c9eea7a87f96ff5 +SIZE (rdkit-2022.03.3/Comic_Neue.zip) = 180686 +SHA256 (rdkit-2022.03.3/rdkit-rdkit-Release_2022_03_3_GH0.tar.gz) = e2832077e258bfe906c9c0dc1664d2ba4fc0acf98bfe073c6383cb1d051b6ef0 +SIZE (rdkit-2022.03.3/rdkit-rdkit-Release_2022_03_3_GH0.tar.gz) = 78568710 +SHA256 (rdkit-2022.03.3/rareylab-RingDecomposerLib-v1.1.3_rdkit_GH0.tar.gz) = 944b5816712a48bbf88aa25d4300ce11871ddf6e971218eac08f90ed2192f715 +SIZE (rdkit-2022.03.3/rareylab-RingDecomposerLib-v1.1.3_rdkit_GH0.tar.gz) = 137931