Script 'mail_helper' called by obssrc Hello community, here is the log from the commit of package elk for openSUSE:Factory checked in at 2026-09-16 17:44:09 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Comparing /work/SRC/openSUSE:Factory/elk (Old) and /work/SRC/openSUSE:Factory/.elk.new.383539 (New) ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "elk" Wed Sep 16 17:44:09 2026 rev:4 rq:1378199 version:11.2.3 Changes: -------- --- /work/SRC/openSUSE:Factory/elk/elk.changes 2023-10-25 18:03:16.599359065 +0200 +++ /work/SRC/openSUSE:Factory/.elk.new.383539/elk.changes 2026-09-16 17:48:04.415378571 +0200 @@ -1,0 +2,25 @@ +Mon Sep 14 20:49:53 UTC 2026 - Atri Bhattacharya <[email protected]> + +- Update to version 11.2.3: + * Added linear-response TDDFT to ultra long-range (experimental) + * Fixed a problem with the tesseral tensor moments + * Reintroduced the 'frozen-core approximation'; set 'frzncore' + to .true. + * Changed the default approximate kinetic energy density (KED) + functional to type 51; this is the Thomas-Fermi functional + derivative scaled to match the exact tau; used for partially + deorbitalised meta-GGA functionals + * Changed the sign of the dipole hyperfine field to match + convention + * Added the variable 'rminall'; this sets the smallest radial + mesh point for all species + * Added new 'task' -1 which causes the code to idle for 'tidle' + seconds, set to 3600 by default + * Improved various convergence tolerances + * Various optimisations and minor improvements +- Incompatible with wannier90 >=4, so build without wannier90 + support. +- Changes from previous versions: + * See https://sourceforge.net/p/elk/news/ + +------------------------------------------------------------------- Old: ---- elk-8.7.2.tgz New: ---- elk-11.2.3.tgz ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Other differences: ------------------ ++++++ elk.spec ++++++ --- /var/tmp/diff_new_pack.V8EjKr/_old 2026-09-16 17:48:05.667430864 +0200 +++ /var/tmp/diff_new_pack.V8EjKr/_new 2026-09-16 17:48:05.669430947 +0200 @@ -1,7 +1,7 @@ # -# spec file +# spec file for package elk # -# Copyright (c) 2023 SUSE LLC +# Copyright (c) 2026 SUSE LLC and contributors # # All modifications and additions to the file contributed by third parties # remain the property of their copyright owners, unless otherwise agreed @@ -50,8 +50,11 @@ %endif # /SECTION +# Incompatible with wannier90 >= 4.0 +%bcond_with wannier90 + Name: %{pname}%{?my_suffix} -Version: 8.7.2 +Version: 11.2.3 Release: 0 Summary: An all-electron full-potential linearised augmented-planewave code License: GPL-3.0-or-later @@ -63,16 +66,18 @@ BuildRequires: gcc-fortran BuildRequires: lapack-devel BuildRequires: pkgconfig -BuildRequires: wannier90%{?my_suffix}-devel BuildRequires: pkgconfig(fftw3) BuildRequires: pkgconfig(libxc) +%if %{with wannier90} +BuildRequires: wannier90%{?my_suffix}-devel +# Needed to break degeneracies between multiple openmpi flavours +Requires: wannier90%{?my_suffix}-devel +%endif %if %{with mpi} BuildRequires: %{mpi_flavor}%{mpi_vers}-devel BuildRequires: %{mpi_flavor}%{mpi_vers}-macros-devel %openmpi_requires %endif -# Needed to break degeneracies between multiple openmpi flavours -Requires: wannier90%{?my_suffix}-devel %description An all-electron full-potential linearised augmented-plane wave @@ -136,10 +141,14 @@ %endif F90_LIB = -llapack -lblas -lfftw3 -lfftw3f SRC_FFT = zfftifc_fftw.f90 cfftifc_fftw.f90 -LIB_LIBXC = -lxc -lxcf90 -SRC_LIBXC = libxcf90.f90 libxcifc.f90 -LIB_W90 = -lwannier +LIB_LIBXC = -lxc -lxcf03 +SRC_LIBXC = libxcf03.f90 libxcifc.f90 +%if %{with wannier90} SRC_W90S = +LIB_W90 = `pkg-config --libs wannier90` +%else +SRC_W90S = w90_stub.f90 +%endif # We do not use MKL, BLIS, or OBLAS SRC_MKL = mkl_stub.f90 ++++++ elk-8.7.2.tgz -> elk-11.2.3.tgz ++++++ ++++ 137379 lines of diff (skipped)
