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PORTNAME= rdkit
DISTVERSIONPREFIX= Release_
DISTVERSION= 2020_09_5
PORTREVISION= 1
CATEGORIES= science
MAINTAINER= yuri@FreeBSD.org
COMMENT= Collection of cheminformatics and machine-learning software
LICENSE= BSD3CLAUSE
LICENSE_FILE= ${WRKSRC}/license.txt
BUILD_DEPENDS= catch>0:devel/catch \
flex:textproc/flex \
rapidjson>=0:devel/rapidjson
LIB_DEPENDS= libboost_system.so:devel/boost-libs \
libcoordgen.so:science/coordgenlibs \
libfreetype.so:print/freetype2 \
libmaeparser.so:science/maeparser
USES= bison:build cmake compiler:c++11-lang eigen:3 python:3.6+
USE_GITHUB= yes
GH_TUPLE= rareylab:RingDecomposerLib:v1.1.3_rdkit:RingDecomposerLib/External/RingFamilies/RingDecomposerLib
USE_LDCONFIG= yes
CMAKE_OFF= RDK_INSTALL_INTREE RDK_USE_FLEXBISON \
RDK_INSTALL_STATIC_LIBS RDK_SWIG_STATIC RDK_PGSQL_STATIC \
RDK_OPTIMIZE_NATIVE \
RDK_BUILD_CPP_TESTS
CMAKE_ARGS= -DCATCH_DIR=${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 <bsd.port.options.mk>
.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 ${LOCALBASE}/include/rapidjson include
post-stage: # https://github.com/rdkit/rdkit/issues/2094
#@${MKDIR} ${STAGEDIR}${PREFIX}/lib/cmake
#@${MV} ${STAGEDIR}${PREFIX}/lib/*.cmake ${STAGEDIR}${PREFIX}/lib/cmake
.include <bsd.port.mk>
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