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science/sirius: update 7.6.0 → 7.6.1

Browse source 
- unbreak build with NLCGLIB
- pet portclippy

Changelog:
https://github.com/electronic-structure/SIRIUS/releases/tag/v7.6.1

PR:		281408
Approved by:	yuri (maintainer, timeout > 4 months)
This commit is contained in:
Älven 2025-02-01 00:17:04 +03:00 • committed by Vladimir Druzenko
parent cccf1379f3
commit 6755cb1435
2 changed files with 10 additions and 13 deletions
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17
science/sirius/Makefile
View file

@ -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

6
science/sirius/distinfo
View file

@ -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