git: e9b138c6fa99 - main - science/sirius: Update 7.3.2 → 7.4.3

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From: Yuri Victorovich <yuri_at_FreeBSD.org>
Date: Fri, 14 Jul 2023 00:21:35 UTC
The branch main has been updated by yuri:

URL: https://cgit.FreeBSD.org/ports/commit/?id=e9b138c6fa99d6763812d4ac4902021c4f0ad37d

commit e9b138c6fa99d6763812d4ac4902021c4f0ad37d
Author:     Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2023-07-14 00:16:07 +0000
Commit:     Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2023-07-14 00:21:32 +0000

    science/sirius: Update 7.3.2 → 7.4.3
    
    Reported by:    portscout
---
 science/sirius/Makefile  |  6 +-----
 science/sirius/distinfo  |  8 +++-----
 science/sirius/pkg-plist | 23 ++++++++++++-----------
 3 files changed, 16 insertions(+), 21 deletions(-)

diff --git a/science/sirius/Makefile b/science/sirius/Makefile
index 13d09dc7d7d3..87a6b3de5ccf 100644
--- a/science/sirius/Makefile
+++ b/science/sirius/Makefile
@@ -1,13 +1,9 @@
 PORTNAME=	sirius
 DISTVERSIONPREFIX=	v
-DISTVERSION=	7.3.2
-PORTREVISION=	4
+DISTVERSION=	7.4.3
 CATEGORIES=	science
 PKGNAMESUFFIX=	-quantum-chemistry # other software also has the name "sirius"
 
-PATCH_SITES=	https://github.com/${GH_ACCOUNT}/${GH_PROJECT}/commit/
-PATCHFILES=	c45ef15637958885b1b299c09ec1bf9376e50ecc.patch:-p1 # https://github.com/electronic-structure/SIRIUS/pull/757
-
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Domain specific library for electronic structure calculations
 WWW=		https://github.com/electronic-structure/SIRIUS
diff --git a/science/sirius/distinfo b/science/sirius/distinfo
index 5ad19bfbde49..56ac1b7c4d09 100644
--- a/science/sirius/distinfo
+++ b/science/sirius/distinfo
@@ -1,5 +1,3 @@
-TIMESTAMP = 1661540097
-SHA256 (electronic-structure-SIRIUS-v7.3.2_GH0.tar.gz) = a256508de6b344345c295ad8642dbb260c4753cd87cc3dd192605c33542955d7
-SIZE (electronic-structure-SIRIUS-v7.3.2_GH0.tar.gz) = 60638490
-SHA256 (c45ef15637958885b1b299c09ec1bf9376e50ecc.patch) = fe5ba232dea3d3b809e991f4d036ee13fbd108b7bee39595ffea82c8a648796d
-SIZE (c45ef15637958885b1b299c09ec1bf9376e50ecc.patch) = 501
+TIMESTAMP = 1689291722
+SHA256 (electronic-structure-SIRIUS-v7.4.3_GH0.tar.gz) = 015679a60a39fa750c5d1bd8fb1ce73945524bef561270d8a171ea2fd4687fec
+SIZE (electronic-structure-SIRIUS-v7.4.3_GH0.tar.gz) = 62761844
diff --git a/science/sirius/pkg-plist b/science/sirius/pkg-plist
index 95ea42754ada..3dd32ca587aa 100644
--- a/science/sirius/pkg-plist
+++ b/science/sirius/pkg-plist
@@ -8,13 +8,7 @@ bin/upf_to_json
 bin/upf_to_json.py
 include/sirius/input_schema.hpp
 include/sirius/sirius.mod
-include/sirius/src/SDDK/dmatrix.hpp
-include/sirius/src/SDDK/fft.hpp
-include/sirius/src/SDDK/fft3d_grid.hpp
-include/sirius/src/SDDK/geometry3d.hpp
-include/sirius/src/SDDK/gvec.hpp
 include/sirius/src/SDDK/hdf5_tree.hpp
-include/sirius/src/SDDK/matrix_storage.hpp
 include/sirius/src/SDDK/memory.hpp
 include/sirius/src/SDDK/omp.hpp
 include/sirius/src/SDDK/serialize_mdarray.hpp
@@ -22,9 +16,6 @@ include/sirius/src/SDDK/serializer.hpp
 include/sirius/src/SDDK/splindex.hpp
 include/sirius/src/SDDK/type_definition.hpp
 include/sirius/src/SDDK/wave_functions.hpp
-include/sirius/src/SDDK/wf_inner.hpp
-include/sirius/src/SDDK/wf_ortho.hpp
-include/sirius/src/SDDK/wf_trans.hpp
 include/sirius/src/_header_file_template.hpp
 include/sirius/src/api/error_codes.hpp
 include/sirius/src/band/band.hpp
@@ -44,7 +35,11 @@ include/sirius/src/density/occupation_matrix.hpp
 include/sirius/src/density/paw_density.hpp
 include/sirius/src/dft/dft_ground_state.hpp
 include/sirius/src/dft/energy.hpp
+include/sirius/src/dft/lattice_relaxation.hpp
 include/sirius/src/dft/smearing.hpp
+include/sirius/src/fft/fft.hpp
+include/sirius/src/fft/fft3d_grid.hpp
+include/sirius/src/fft/gvec.hpp
 include/sirius/src/function3d/field4d.hpp
 include/sirius/src/function3d/periodic_function.hpp
 include/sirius/src/function3d/smooth_periodic_function.hpp
@@ -56,8 +51,8 @@ include/sirius/src/geometry/wavefunction_strain_deriv.hpp
 include/sirius/src/gpu/acc.hpp
 include/sirius/src/gpu/acc_blas.hpp
 include/sirius/src/gpu/acc_blas_api.hpp
+include/sirius/src/gpu/acc_common.hpp
 include/sirius/src/gpu/acc_runtime.hpp
-include/sirius/src/gpu/cuda_common.hpp
 include/sirius/src/gpu/cuda_timer.hpp
 include/sirius/src/gpu/cusolver.hpp
 include/sirius/src/gpu/fft_kernels.hpp
@@ -70,16 +65,18 @@ include/sirius/src/hubbard/hubbard.hpp
 include/sirius/src/hubbard/hubbard_matrix.hpp
 include/sirius/src/k_point/k_point.hpp
 include/sirius/src/k_point/k_point_set.hpp
+include/sirius/src/lapw/generate_alm_block.hpp
 include/sirius/src/lapw/matching_coefficients.hpp
 include/sirius/src/linalg/blacs_grid.hpp
 include/sirius/src/linalg/blas_lapack.h
+include/sirius/src/linalg/dmatrix.hpp
 include/sirius/src/linalg/eigenproblem.hpp
 include/sirius/src/linalg/eigensolver.hpp
-include/sirius/src/linalg/elpa.hpp
 include/sirius/src/linalg/inverse_sqrt.hpp
 include/sirius/src/linalg/linalg.hpp
 include/sirius/src/linalg/linalg_base.hpp
 include/sirius/src/linalg/linalg_spla.hpp
+include/sirius/src/linalg/r3.hpp
 include/sirius/src/linalg/scalapack.h
 include/sirius/src/mixer/anderson_mixer.hpp
 include/sirius/src/mixer/anderson_stable_mixer.hpp
@@ -90,6 +87,7 @@ include/sirius/src/mixer/mixer_factory.hpp
 include/sirius/src/mixer/mixer_functions.hpp
 include/sirius/src/mpi/communicator.hpp
 include/sirius/src/mpi/mpi_grid.hpp
+include/sirius/src/mpi/pstdout.hpp
 include/sirius/src/multi_cg/multi_cg.hpp
 include/sirius/src/nlcglib/adaptor.hpp
 include/sirius/src/nlcglib/apply_hamiltonian.hpp
@@ -138,6 +136,9 @@ include/sirius/src/utils/profiler.hpp
 include/sirius/src/utils/rt_graph.hpp
 include/sirius/src/utils/rte.hpp
 include/sirius/src/utils/utils.hpp
+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