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# $FreeBSD$
PORTNAME= rdkit
DISTVERSIONPREFIX= Release_
DISTVERSION= 2018_09_3
PORTREVISION= 6
CATEGORIES= science
MAINTAINER= yuri@FreeBSD.org
COMMENT= Collection of cheminformatics and machine-learning software
LICENSE= BSD3CLAUSE
LICENSE_FILE= ${WRKSRC}/license.txt
BUILD_DEPENDS= catch>0:devel/catch \
flex:textproc/flex \
rapidjson>=0:devel/rapidjson
LIB_DEPENDS= libboost_system.so:devel/boost-libs
USES= bison:build cmake compiler:c++11-lang eigen:3 python
USE_GITHUB= yes
GH_TUPLE= schrodinger:maeparser:1.0.0:maeparser/External/CoordGen/maeparser \
schrodinger:coordgenlibs:ede3191:coordgenlibs/External/CoordGen/coordgenlibs
USE_LDCONFIG= yes
CMAKE_OFF= RDK_INSTALL_INTREE RDK_USE_FLEXBISON \
RDK_INSTALL_STATIC_LIBS RDK_SWIG_STATIC RDK_PGSQL_STATIC \
RDK_OPTIMIZE_NATIVE
CMAKE_ARGS= -DFREEBSD_DOCSDIR:PATH=${DOCSDIR} -DCATCH_DIR=${LOCALBASE}
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} \
${PYTHON_PKGNAMEPREFIX}reportlab>0:print/py-reportlab@${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
.include <bsd.port.pre.mk>
.if ${PYTHON_REL} < 3500
PYTHON_RUN_DEPENDS+= ${PYTHON_PKGNAMEPREFIX}pillow6>0:graphics/py-pillow6@${PY_FLAVOR}
.else
PYTHON_RUN_DEPENDS+= ${PYTHON_PKGNAMEPREFIX}pillow>0:graphics/py-pillow@${PY_FLAVOR}
.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.post.mk>
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