61 lines
1.8 KiB
Makefile
61 lines
1.8 KiB
Makefile
PORTNAME= bagel
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DISTVERSIONPREFIX= v
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DISTVERSION= 1.2.2-132
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PORTREVISION= 2
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DISTVERSIONSUFFIX= -g2955e4d1a
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CATEGORIES= science
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MAINTAINER= yuri@FreeBSD.org
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COMMENT= Brilliantly Advanced General Electronic-structure Library
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WWW= https://nubakery.org/
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LICENSE= GPLv3
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LICENSE_FILE= ${WRKSRC}/COPYING
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BROKEN_i386= error: static_assert failed "size_t is assumed to be the same size as unsigned long long"
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LIB_DEPENDS= libboost_serialization.so:devel/boost-libs
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TEST_DEPENDS= cblas>0:math/cblas
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USES= autoreconf blaslapack:openblas compiler:c++11-lang fortran gmake libtool localbase python:build
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USE_CXXSTD= c++11
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USE_LDCONFIG= yes
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USE_GITHUB= yes
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GH_ACCOUNT= qsimulate-open
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GNU_CONFIGURE= yes
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CONFIGURE_ARGS= --datarootdir=${DATADIR}
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INSTALL_TARGET= install-strip
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OPTIONS_DEFINE= MPI LIBXC SCALAPACK SMITH # SLATER (needs a separate lib)
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OPTIONS_DEFAULT= MPI LIBXC SCALAPACK SMITH
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MPI_CONFIGURE_ON= --with-mpi=openmpi
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MPI_CONFIGURE_OFF= --with-mpi=no
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MPI_LIB_DEPENDS= libmpicxx.so:net/mpich # openmpi option erroneously links to mpich (due to a name clash)
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LIBXC_DESC= Build DFT with libxc
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LIBXC_CONFIGURE_WITH= libxc
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LIBXC_LIB_DEPENDS= libxc.so:science/libxc
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SCALAPACK_DESC= Use ScaLapack library for parallelized linear algebra
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SCALAPACK_CONFIGURE_ENABLE= scalapack
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SCALAPACK_VARS= LDFLAGS+="-lscalapack"
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SCALAPACK_VARS_OFF= LDFLAGS+="${BLASLIB} ${LAPACKLIB}" # -llapack -lblas are a replacement of libscalapack
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SCALAPACK_LIB_DEPENDS= libscalapack.so:math/scalapack
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SCALAPACK_IMPLIES= MPI
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SMITH_DESC= Compile SMITH generated code
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SMITH_CONFIGURE_ENABLE= smith
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SMITH_IMPLIES= MPI
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TEST_TARGET= check
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TEST_ARGS= LDFLAGS+="-lcblas -lblas" ${TEST_TARGET}
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post-test: # tests fail, see https://github.com/qsimulate-open/bagel/issues/248
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@cd ${WRKSRC}/src && ./TestSuite --log_level=all
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.include <bsd.port.mk>
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