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ESMTPS id 4WrNBj60CCzfSB; Sat, 24 Aug 2024 03:45:49 +0000 (UTC) (envelope-from git@FreeBSD.org) Received: from gitrepo.freebsd.org ([127.0.1.44]) by gitrepo.freebsd.org (8.18.1/8.18.1) with ESMTP id 47O3jn4P001279; Sat, 24 Aug 2024 03:45:49 GMT (envelope-from git@gitrepo.freebsd.org) Received: (from git@localhost) by gitrepo.freebsd.org (8.18.1/8.18.1/Submit) id 47O3jnXw001276; Sat, 24 Aug 2024 03:45:49 GMT (envelope-from git) Date: Sat, 24 Aug 2024 03:45:49 GMT Message-Id: <202408240345.47O3jnXw001276@gitrepo.freebsd.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org From: Yuri Victorovich Subject: git: 63e3d0db8d92 - main - science/sirius: update 7.5.2 =?utf-8?Q?=E2=86=92?= 7.6.0 List-Id: Commits to the main branch of the FreeBSD ports repository List-Archive: https://lists.freebsd.org/archives/dev-commits-ports-main List-Help: List-Post: List-Subscribe: List-Unsubscribe: X-BeenThere: dev-commits-ports-main@freebsd.org Sender: owner-dev-commits-ports-main@FreeBSD.org MIME-Version: 1.0 Content-Type: text/plain; charset=utf-8 Content-Transfer-Encoding: 8bit X-Git-Committer: yuri X-Git-Repository: ports X-Git-Refname: refs/heads/main X-Git-Reftype: branch X-Git-Commit: 63e3d0db8d921d2dd8db7a20fe99f63192a3740e Auto-Submitted: auto-generated The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=63e3d0db8d921d2dd8db7a20fe99f63192a3740e commit 63e3d0db8d921d2dd8db7a20fe99f63192a3740e Author: Yuri Victorovich AuthorDate: 2024-08-24 03:45:35 +0000 Commit: Yuri Victorovich 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 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