Yuri Victorovich
60 lines
1.7 KiB
Makefile
60 lines
1.7 KiB
Makefile
PORTNAME= sirius
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DISTVERSIONPREFIX= v
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DISTVERSION= 7.11.1
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PORTREVISION= 1
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CATEGORIES= science
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PKGNAMESUFFIX= -quantum-chemistry # other software also has the name "sirius"
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MAINTAINER= yuri@FreeBSD.org
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COMMENT= Domain specific library for electronic structure calculations
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WWW= https://github.com/electronic-structure/SIRIUS/
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LICENSE= BSD3CLAUSE
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LICENSE_FILE= ${WRKSRC}/LICENSE
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BROKEN_FreeBSD_16= fails to compile: clang crashes, see https://bugs.freebsd.org/bugzilla/show_bug.cgi?id=295597
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LIB_DEPENDS= libcosta.so:math/costa \
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libfmt.so:devel/libfmt \
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libgsl.so:math/gsl \
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libhdf5.so:science/hdf5 \
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libopenblas.so:math/openblas \
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libscalapack.so:math/scalapack \
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libspfft.so:math/spfft \
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libspla.so:math/spla \
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libsymspg.so:science/spglib \
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libxc.so:science/libxc
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TEST_DEPENDS= bash:shells/bash
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USES= cmake:testing compiler:c++14-lang eigen:3,test fortran pkgconfig shebangfix
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USE_LDCONFIG= yes
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USE_GITHUB= yes
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GH_ACCOUNT= electronic-structure
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GH_PROJECT= SIRIUS
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SHEBANG_FILES= ci/mpi-ctest.sh
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CMAKE_OFF= SIRIUS_USE_MEMORY_POOL # depends on umpire - not yet ported
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OPTIONS_DEFAULT= MPICH # NLCGLIB
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OPTIONS_DEFINE= NLCGLIB
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OPTIONS_SINGLE= MPI
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OPTIONS_SINGLE_MPI= MPICH OPENMPI
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NLCGLIB_DESC= Enable nlcglib
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MPICH_USES= mpi:mpich
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NLCGLIB_LIB_DEPENDS= libnlcglib.so:science/nlcglib \
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libkokkoscore.so:devel/kokkos
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NLCGLIB_CMAKE_BOOL= USE_NLCGLIB
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OPENMPI_USES= mpi:openmpi
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# pre-7.4.0: many tests fail, see https://github.com/electronic-structure/SIRIUS/issues/760
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# 7.6.0: several tests fail: Can't divide 1 ranks into groups of size 4
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# 7.7.0: tests fail to compile, see https://github.com/electronic-structure/SIRIUS/issues/1070
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# 7.11.0: tests hang in the middle or run forever
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.include <bsd.port.mk>
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