diff --git a/science/sirius/Makefile b/science/sirius/Makefile index 820d98aa8df4..0c9b1113ddca 100644 --- a/science/sirius/Makefile +++ b/science/sirius/Makefile @@ -1,52 +1,56 @@ PORTNAME= sirius DISTVERSIONPREFIX= v -DISTVERSION= 7.10.0 -PORTREVISION= 1 +DISTVERSION= 7.11.0 CATEGORIES= science PKGNAMESUFFIX= -quantum-chemistry # other software also has the name "sirius" MAINTAINER= yuri@FreeBSD.org COMMENT= Domain specific library for electronic structure calculations WWW= https://github.com/electronic-structure/SIRIUS/ LICENSE= BSD3CLAUSE LICENSE_FILE= ${WRKSRC}/LICENSE LIB_DEPENDS= libcosta.so:math/costa \ libfmt.so:devel/libfmt \ libgsl.so:math/gsl \ libhdf5.so:science/hdf5 \ libopenblas.so:math/openblas \ libscalapack.so:math/scalapack \ libspfft.so:math/spfft \ libspla.so:math/spla \ libsymspg.so:science/spglib \ libxc.so:science/libxc +TEST_DEPENDS= bash:shells/bash + +USES= cmake:testing compiler:c++14-lang eigen:3,test fortran pkgconfig shebangfix +USE_LDCONFIG= yes -USES= cmake:testing compiler:c++14-lang eigen:3,test fortran pkgconfig USE_GITHUB= yes GH_ACCOUNT= electronic-structure GH_PROJECT= SIRIUS -USE_LDCONFIG= yes + +SHEBANG_FILES= ci/mpi-ctest.sh CMAKE_OFF= SIRIUS_USE_MEMORY_POOL # depends on umpire - not yet ported OPTIONS_DEFAULT= MPICH # NLCGLIB OPTIONS_DEFINE= NLCGLIB OPTIONS_SINGLE= MPI OPTIONS_SINGLE_MPI= MPICH OPENMPI NLCGLIB_DESC= Enable nlcglib MPICH_USES= mpi:mpich NLCGLIB_LIB_DEPENDS= libnlcglib.so:science/nlcglib \ libkokkoscore.so:devel/kokkos NLCGLIB_CMAKE_BOOL= USE_NLCGLIB OPENMPI_USES= mpi:openmpi # pre-7.4.0: many tests fail, see https://github.com/electronic-structure/SIRIUS/issues/760 # 7.6.0: several tests fail: Can't divide 1 ranks into groups of size 4 # 7.7.0: tests fail to compile, see https://github.com/electronic-structure/SIRIUS/issues/1070 +# 7.11.0: tests hang in the middle or run forever .include diff --git a/science/sirius/distinfo b/science/sirius/distinfo index 6b96018f3898..283aea03800d 100644 --- a/science/sirius/distinfo +++ b/science/sirius/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1774388787 -SHA256 (electronic-structure-SIRIUS-v7.10.0_GH0.tar.gz) = ef02f2a899ccd72803bed3c4b7460457e67d99a68e0d6e5ab157566a1e6abf4f -SIZE (electronic-structure-SIRIUS-v7.10.0_GH0.tar.gz) = 33082643 +TIMESTAMP = 1777009829 +SHA256 (electronic-structure-SIRIUS-v7.11.0_GH0.tar.gz) = fd91de0bcb917028484ce41953e1102b6c5155390fdc8ed385af8341cd7cff39 +SIZE (electronic-structure-SIRIUS-v7.11.0_GH0.tar.gz) = 33803954