diff --git a/science/sirius/Makefile b/science/sirius/Makefile index f87146a0d93e7..b865003d283d4 100644 --- a/science/sirius/Makefile +++ b/science/sirius/Makefile @@ -1,13 +1,12 @@ PORTNAME= sirius DISTVERSIONPREFIX= v -DISTVERSION= 7.6.0 -PORTREVISION= 1 +DISTVERSION= 7.6.1 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 +WWW= https://github.com/electronic-structure/SIRIUS/ LICENSE= BSD3CLAUSE LICENSE_FILE= ${WRKSRC}/LICENSE @@ -25,26 +24,24 @@ LIB_DEPENDS= libcosta.so:math/costa \ libxc.so:science/libxc USES= cmake:testing compiler:c++14-lang eigen:3,test fortran pkgconfig -USE_LDCONFIG= yes - USE_GITHUB= yes GH_ACCOUNT= electronic-structure GH_PROJECT= SIRIUS +USE_LDCONFIG= yes 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 -OPTIONS_DEFAULT= MPICH # NLCGLIB NLCGLIB_DESC= Enable nlcglib -NLCGLIB_CMAKE_BOOL= USE_NLCGLIB -NLCGLIB_LIB_DEPENDS= libnlcglib.so:science/nlcglib \ - libkokkoscore.so:devel/kokkos -NLCGLIB_BROKEN= build breaks, see https://github.com/electronic-structure/SIRIUS/issues/759 MPICH_USES= mpi:mpich +NLCGLIB_LIB_DEPENDS= libnlcglib.so:science/nlcglib \ + libkokkoscore.so:devel/kokkos +NLCGLIB_CMAKE_BOOL= USE_NLCGLIB OPENMPI_USES= mpi:openmpi diff --git a/science/sirius/distinfo b/science/sirius/distinfo index 533467103f12d..2097f8c3d7f74 100644 --- a/science/sirius/distinfo +++ b/science/sirius/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1724465605 -SHA256 (electronic-structure-SIRIUS-v7.6.0_GH0.tar.gz) = e424206fecb35bb2082b5c87f0865a9536040e984b88b041e6f7d531f8a65b20 -SIZE (electronic-structure-SIRIUS-v7.6.0_GH0.tar.gz) = 32295749 +TIMESTAMP = 1725946336 +SHA256 (electronic-structure-SIRIUS-v7.6.1_GH0.tar.gz) = 16a114dc17e28697750585820e69718a96e6929f88406d266c75cf9a7cdbdaaa +SIZE (electronic-structure-SIRIUS-v7.6.1_GH0.tar.gz) = 32295594