git: 63e3d0db8d92 - main - science/sirius: update 7.5.2 → 7.6.0

The branch main has been updated by yuri:

URL: https://cgit.FreeBSD.org/ports/commit/?id=63e3d0db8d921d2dd8db7a20fe99f63192a3740e

commit 63e3d0db8d921d2dd8db7a20fe99f63192a3740e
Author:     Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2024-08-24 03:45:35 +0000
Commit:     Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2024-08-24 03:45:45 +0000

    science/sirius: update 7.5.2 → 7.6.0
---
 science/sirius/Makefile  |  9 ++++-----
 science/sirius/distinfo  |  6 +++---
 science/sirius/pkg-plist | 30 +++++++++++++++++-------------
 3 files changed, 24 insertions(+), 21 deletions(-)

diff --git a/science/sirius/Makefile b/science/sirius/Makefile
index 8b83394bd8e1..8bbe2b24b7e1 100644
--- a/science/sirius/Makefile
+++ b/science/sirius/Makefile
@@ -1,7 +1,6 @@
 PORTNAME=	sirius
 DISTVERSIONPREFIX=	v
-DISTVERSION=	7.5.2
-PORTREVISION=	1
+DISTVERSION=	7.6.0
 CATEGORIES=	science
 PKGNAMESUFFIX=	-quantum-chemistry # other software also has the name "sirius"
 
@@ -9,7 +8,7 @@ MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Domain specific library for electronic structure calculations
 WWW=		https://github.com/electronic-structure/SIRIUS
 
-LICENSE=	BSD2CLAUSE
+LICENSE=	BSD3CLAUSE
 LICENSE_FILE=	${WRKSRC}/LICENSE
 
 BROKEN_FreeBSD_15=	clang crashes, see https://bugs.freebsd.org/bugzilla/show_bug.cgi?id=276196
@@ -48,7 +47,7 @@ MPICH_USES=		mpi:mpich
 
 OPENMPI_USES=		mpi:openmpi
 
-# many tests fail, see https://github.com/electronic-structure/SIRIUS/issues/760
-# 7.5.0: tests fail to build, see https://github.com/electronic-structure/SIRIUS/issues/947
+# 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
 
 .include <bsd.port.mk>
diff --git a/science/sirius/distinfo b/science/sirius/distinfo
index 698a2f058a13..533467103f12 100644
--- a/science/sirius/distinfo
+++ b/science/sirius/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1704962050
-SHA256 (electronic-structure-SIRIUS-v7.5.2_GH0.tar.gz) = 9ae01935578532c84f1d0d673dbbcdd490e26be22efa6c4acf7129f9dc1a0c60
-SIZE (electronic-structure-SIRIUS-v7.5.2_GH0.tar.gz) = 29282755
+TIMESTAMP = 1724465605
+SHA256 (electronic-structure-SIRIUS-v7.6.0_GH0.tar.gz) = e424206fecb35bb2082b5c87f0865a9536040e984b88b041e6f7d531f8a65b20
+SIZE (electronic-structure-SIRIUS-v7.6.0_GH0.tar.gz) = 32295749
diff --git a/science/sirius/pkg-plist b/science/sirius/pkg-plist
index 4d13c05c71a2..db5637dc78e3 100644
--- a/science/sirius/pkg-plist
+++ b/science/sirius/pkg-plist
@@ -10,6 +10,7 @@ include/sirius/input_schema.hpp
 include/sirius/sirius.mod
 include/sirius/src/_header_file_template.hpp
 include/sirius/src/api/error_codes.hpp
+include/sirius/src/api/sirius_c_headers.h
 include/sirius/src/beta_projectors/beta_projectors.hpp
 include/sirius/src/beta_projectors/beta_projectors_base.hpp
 include/sirius/src/beta_projectors/beta_projectors_gradient.hpp
@@ -164,7 +165,6 @@ include/sirius/src/unit_cell/atom_type.hpp
 include/sirius/src/unit_cell/atom_type_base.hpp
 include/sirius/src/unit_cell/atomic_data.hpp
 include/sirius/src/unit_cell/basis_functions_index.hpp
-include/sirius/src/unit_cell/free_atom.hpp
 include/sirius/src/unit_cell/hubbard_orbitals_descriptor.hpp
 include/sirius/src/unit_cell/radial_functions_index.hpp
 include/sirius/src/unit_cell/unit_cell.hpp
@@ -172,21 +172,25 @@ include/sirius/src/vcsqnm/historylist.hpp
 include/sirius/src/vcsqnm/periodic_optimizer.hpp
 include/sirius/src/vcsqnm/sqnm.hpp
 include/sirius/version.hpp
-lib/cmake/sirius/cudalibs_target.cmake
-lib/cmake/sirius/hdf5_target.cmake
-lib/cmake/sirius/modules/FindCRAY_LIBSCI.cmake
-lib/cmake/sirius/modules/FindElpa.cmake
-lib/cmake/sirius/modules/FindLibSPG.cmake
-lib/cmake/sirius/modules/FindLibVDWXC.cmake
-lib/cmake/sirius/modules/FindLibXC.cmake
-lib/cmake/sirius/modules/FindMAGMA.cmake
-lib/cmake/sirius/modules/FindMKL.cmake
-lib/cmake/sirius/modules/FindSCALAPACK.cmake
-lib/cmake/sirius/modules/Findmpi4py.cmake
-lib/cmake/sirius/modules/GitSubmodule.cmake
 lib/cmake/sirius/siriusConfig.cmake
 lib/cmake/sirius/siriusConfigVersion.cmake
 lib/cmake/sirius/siriusTargets-%%CMAKE_BUILD_TYPE%%.cmake
 lib/cmake/sirius/siriusTargets.cmake
+lib/cmake/sirius_cxx/cudalibs_target.cmake
+lib/cmake/sirius_cxx/hdf5_target.cmake
+lib/cmake/sirius_cxx/modules/FindCRAY_LIBSCI.cmake
+lib/cmake/sirius_cxx/modules/FindElpa.cmake
+lib/cmake/sirius_cxx/modules/FindLibSPG.cmake
+lib/cmake/sirius_cxx/modules/FindLibVDWXC.cmake
+lib/cmake/sirius_cxx/modules/FindLibXC.cmake
+lib/cmake/sirius_cxx/modules/FindMAGMA.cmake
+lib/cmake/sirius_cxx/modules/FindSCALAPACK.cmake
+lib/cmake/sirius_cxx/modules/Findmpi4py.cmake
+lib/cmake/sirius_cxx/modules/GitSubmodule.cmake
+lib/cmake/sirius_cxx/sirius_cxxConfig.cmake
+lib/cmake/sirius_cxx/sirius_cxxConfigVersion.cmake
+lib/cmake/sirius_cxx/sirius_cxxTargets-%%CMAKE_BUILD_TYPE%%.cmake
+lib/cmake/sirius_cxx/sirius_cxxTargets.cmake
 lib/libsirius.so
+lib/libsirius_cxx.so
 @dir include/sirius/src/core/gpu_kernels