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# $FreeBSD$
PORTNAME= rdkit
DISTVERSIONPREFIX= Release_
DISTVERSION= 2018_03_4
CATEGORIES= science
MAINTAINER= yuri@FreeBSD.org
COMMENT= Collection of cheminformatics and machine-learning software
LICENSE= BSD3CLAUSE
LICENSE_FILE= ${WRKSRC}/license.txt
BUILD_DEPENDS= flex:textproc/flex \
rapidjson>=0:devel/rapidjson
LIB_DEPENDS= libboost_system.so:devel/boost-libs
USES= bison:build cmake:outsource eigen:3 python
USE_GITHUB= yes
GH_TUPLE= schrodinger:maeparser:1.0.0:maeparser/External/CoordGen/maeparser \
schrodinger:coordgenlibs:ede3191:coordgenlibs/External/CoordGen/coordgenlibs
USE_LDCONFIG= yes
CMAKE_OFF= RDK_INSTALL_INTREE RDK_USE_FLEXBISON \
RDK_INSTALL_STATIC_LIBS RDK_SWIG_STATIC RDK_PGSQL_STATIC
CMAKE_ARGS= -DFREEBSD_DOCSDIR:PATH=${DOCSDIR}
DATADIR= ${PREFIX}/share/RDKit
DOCSDIR= ${PREFIX}/share/doc/RDKit
PLIST_SUB= SHLIB_VER=${PORTVERSION}
OPTIONS_DEFINE= PYTHON DOCS
OPTIONS_DEFAULT= PYTHON
OPTIONS_SUB= yes
PYTHON_CMAKE_BOOL= RDK_BUILD_PYTHON_WRAPPERS
PYTHON_BUILD_DEPENDS= ${PYNUMPY}
PYTHON_LIB_DEPENDS= ${PY_BOOST}
PYTHON_RUN_DEPENDS= ${PYNUMPY} \
${PYTHON_PKGNAMEPREFIX}matplotlib>0:math/py-matplotlib@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}pillow>0:graphics/py-pillow@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}reportlab>0:print/py-reportlab@${PY_FLAVOR}
PORTDOCS= *
post-extract:
@${MKDIR} ${WRKSRC}/External/rapidjson-1.1.0
@cd ${WRKSRC}/External/rapidjson-1.1.0 && ${LN} -s ${LOCALBASE}/include/rapidjson include
.include <bsd.port.mk>
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