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# $FreeBSD$
PORTNAME= bagel
DISTVERSIONPREFIX= v
DISTVERSION= 1.2.0
CATEGORIES= science
MAINTAINER= yuri@FreeBSD.org
COMMENT= Brilliantly Advanced General Electronic-structure Library
LICENSE= GPLv3
LICENSE_FILE= ${WRKSRC}/COPYING
BROKEN_i386= error: static_assert failed "size_t is assumed to be the same size as unsigned long long"
BROKEN_FreeBSD_10= /usr/include/c++/v1/memory:4004:35: error: no viable overloaded '='; __e->__weak_this_ = *this;
LIB_DEPENDS= libboost_serialization.so:devel/boost-libs \
libcblas.so:math/cblas
USES= autoreconf compiler:c++11-lang fortran gmake libtool localbase python:build
GNU_CONFIGURE= yes
CONFIGURE_ARGS= --datarootdir=${DATADIR}
USE_GITHUB= yes
GH_ACCOUNT= nubakery
USE_CXXSTD= c++11
USE_LDCONFIG= yes
OPTIONS_DEFINE= MPI LIBXC SCALAPACK SMITH # SLATER (needs a separate lib)
OPTIONS_DEFAULT= MPI LIBXC SCALAPACK SMITH
MPI_CONFIGURE_ON= --with-mpi=openmpi
MPI_CONFIGURE_OFF= --with-mpi=no
MPI_LIB_DEPENDS= libmpicxx.so:net/mpich # openmpi option erroneously links to mpich (due to a name clash)
LIBXC_DESC= Build DFT with libxc
LIBXC_CONFIGURE_WITH= libxc
LIBXC_LIB_DEPENDS= libxc.so:science/libxc
SCALAPACK_DESC= Use ScaLapack library for parallelized linear algebra
SCALAPACK_CONFIGURE_ENABLE= libxc
SCALAPACK_MAKE_ARGS= EXTRA_LIBS="-lcblas"
SCALAPACK_MAKE_ARGS_OFF= EXTRA_LIBS="-lcblas -llapack -lblas" # -llapack -lblas are a replacement of libscalapack
SCALAPACK_LIB_DEPENDS= libscalapack.so:math/scalapack
SCALAPACK_LIB_DEPENDS_OFF= liblapack.so:math/lapack \
libblas.so:math/blas
SCALAPACK_IMPLIES= MPI
SMITH_DESC= Compile SMITH generated code
SMITH_CONFIGURE_ENABLE= smith
SMITH_IMPLIES= MPI
.include <bsd.port.mk>
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