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Package is "wannier90" Tue Sep 8 16:56:46 2026 rev:5 rq:1376181 version:4.0.2 Changes: -------- --- /work/SRC/openSUSE:Factory/wannier90/wannier90.changes 2024-02-21 17:56:54.984388188 +0100 +++ /work/SRC/openSUSE:Factory/.wannier90.new.1265/wannier90.changes 2026-09-08 17:00:07.149997165 +0200 @@ -1,0 +2,56 @@ +Sun Sep 6 15:44:28 UTC 2026 - Atri Bhattacharya <[email protected]> + +- Disable %check for openmpi5, since tests deadlock and eventually + time out. +- Add _constraints for increased memory requirements, primarily + during testing. + +------------------------------------------------------------------- +Sat Sep 5 12:39:09 UTC 2026 - Atri Bhattacharya <[email protected]> + +- Update to version 4.0.2: + * Automatic thresholds for projectability disentanglement + [gh#wannier-developers/wannier90#650] +- Changes from version 4.0.1: + * Higher order finite differences methods + [gh#wannier-developers/wannier90#504] + * Projectability disentanglement + [gh#wannier-developers/wannier90#448] + * Spin Hall conductivity according to Ji Hoon Ryoo's method + (Phys. Rev. B 99, 235113) + [gh#wannier-developers/wannier90#353] + * Stengel-Spalding spread functional + [gh#wannier-developers/wannier90#498] + * Tetrahedron integration for calculating spin Hall conductivity + [gh#wannier-developers/wannier90#431] + * Translationally invariant formulation for position matrix + elements [gh#wannier-developers/wannier90#533] + * Update to the CODATA standard version + [gh#wannier-developers/wannier90#649] + * User specified lists of k-points for plotting + [gh#wannier-developers/wannier90#519] + * Cmake support (see README.install) + * Library interface supporting most Wannier90.x functionality + with MPI decomposition over k-points + * Markdown documentation replaces pdf files in the distribution + * Significant code refactoring for data encapsulation, error + handling, etc + * Very large number of collected bug fixes and corrections, etc. +- Add wannier90-pkgconfig-paths.patch to fix path variables in + pkgconfig file. +- Add wannier90-disable-failing-test.patch to disable a test that + fails to delete a file in chroot when cleaning up and causes + build failures. +- Add wannier90-arm64-disable-failing-test.patch -- Disable a test + that fails due to minor tolerance issues on arm64 + [gh#wannier-developers/wannier90#678]. +- Drop upstreamed patches: + * wannier90-install-pkgconfig.patch + * a75344b646227c9d7f12d90af4a35a902e940dca.patch +- Switch to cmake based build and clean up manual configuration + cruft from earlier build scripts. +- Run testsuite as part of %check; use memory-constraints to limit + maximum number of parallel threads and avoid OOM. +- Update License: GPL-2.0-only -> LGPL-2.1-or-later. + +------------------------------------------------------------------- Old: ---- a75344b646227c9d7f12d90af4a35a902e940dca.patch wannier90-3.1.0.tar.gz wannier90-install-pkgconfig.patch New: ---- _constraints wannier90-4.0.2.tar.gz wannier90-arm64-disable-failing-test.patch wannier90-disable-failing-test.patch wannier90-pkgconfig-paths.patch ----------(Old B)---------- Old: * wannier90-install-pkgconfig.patch * a75344b646227c9d7f12d90af4a35a902e940dca.patch - Switch to cmake based build and clean up manual configuration Old:- Drop upstreamed patches: * wannier90-install-pkgconfig.patch * a75344b646227c9d7f12d90af4a35a902e940dca.patch ----------(Old E)---------- ----------(New B)---------- New: build failures. - Add wannier90-arm64-disable-failing-test.patch -- Disable a test that fails due to minor tolerance issues on arm64 New: pkgconfig file. - Add wannier90-disable-failing-test.patch to disable a test that fails to delete a file in chroot when cleaning up and causes New: * Very large number of collected bug fixes and corrections, etc. - Add wannier90-pkgconfig-paths.patch to fix path variables in pkgconfig file. ----------(New E)---------- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Other differences: ------------------ ++++++ wannier90.spec ++++++ --- /var/tmp/diff_new_pack.ICiBtf/_old 2026-09-08 17:00:10.944154776 +0200 +++ /var/tmp/diff_new_pack.ICiBtf/_new 2026-09-08 17:00:10.951155067 +0200 @@ -1,7 +1,7 @@ # -# spec file +# spec file for package wannier90 # -# 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 @@ -41,10 +41,13 @@ %{?mpi_flavor:%{bcond_without mpi}}%{!?mpi_flavor:%{bcond_with mpi}} %{?with_mpi:%{!?mpi_flavor:error "No MPI family specified!"}} +%global _gcc_ver %(gcc -dumpversion) + %if %{with mpi} %define my_prefix %{_libdir}/mpi/gcc/%{mpi_flavor}%{?mpi_vers} %define my_bindir %{my_prefix}/bin %define my_libdir %{my_prefix}/%{_lib} +%define my_fmoddir %{my_libdir}/finclude %define my_incdir %{my_prefix}/include %define my_datadir %{my_prefix}/share %define my_suffix -%{mpi_flavor}%{?mpi_vers} @@ -52,27 +55,34 @@ %define my_prefix %{_prefix} %define my_bindir %{_bindir} %define my_libdir %{_libdir} +%define my_fmoddir %{my_libdir}/gcc/%{_host}/%{_gcc_ver}/finclude %define my_incdir %{_includedir} %define my_datadir %{_datadir} %endif # /SECTION MPI DEFINITIONS +%define libname lib%{pname}_4%{?with_mpi:_mpi%{my_suffix}} Name: %{pname}%{?my_suffix} -Version: 3.1.0 +Version: 4.0.2 Release: 0 Summary: A library for generating maximally-localized Wannier functions -License: GPL-2.0-only +License: LGPL-2.1-or-later URL: http://www.wannier.org/ Source: https://github.com/wannier-developers/wannier90/archive/refs/tags/v%{version}.tar.gz#/%{pname}-%{version}.tar.gz -# PATCH-FIX-UPSTREAM wannier90-install-pkgconfig.patch [email protected] -- Update Makefile to install a package config file -Patch0: wannier90-install-pkgconfig.patch -# PATCH-FIX-UPSTREAM gh#wannier-developers/wannier90#373 [email protected] -- Allocate arrays on non-root nodes to avoid SIGSEG -Patch1: https://github.com/wannier-developers/wannier90/commit/a75344b646227c9d7f12d90af4a35a902e940dca.patch +# PATCH-FIX-UPSTREAM wannier90-pkgconfig-paths.patch [email protected] -- Fix paths in pkgconfig variables +Patch0: wannier90-pkgconfig-paths.patch +# PATCH-FIX-UPSTREAM wannier90-disable-failing-test.patch [email protected] -- Disable a failing test that causes build failures specific to rpmbuild env +Patch1: wannier90-disable-failing-test.patch # PATCH-FIX-UPSTREAM gh#wannier-developers/wannier90#371 [email protected] -- Ignore rank mismatch issues when building openmpi flavours with gfortran, as recommended in upstream bug report Patch2: wannier90-fix-parallel-compilation.patch +# PATCH-FIX-UPSTREAM wannier90-arm64-disable-failing-test.patch gh#wannier-developers/wannier90#678 [email protected] -- Disable a test that fails due to minor tolerance issues on arm64 +Patch3: wannier90-arm64-disable-failing-test.patch BuildRequires: blas-devel +BuildRequires: cmake +BuildRequires: gcc-c++ BuildRequires: gcc-fortran BuildRequires: lapack-devel +BuildRequires: memory-constraints %if %{with mpi} BuildRequires: %{mpi_flavor}%{?mpi_vers}-devel %if 0%{?suse_version} >= 1550 && "%{mpi_flavor}" == "openmpi" @@ -86,54 +96,83 @@ using them to compute advanced electronic properties of materials with high efficiency and accuracy. +%package -n %{libname} +Summary: Library for generating maximally-localized Wannier functions - shared library + +%description -n %{libname} +Wannier90 is a library for generating maximally-localized Wannier functions and +using them to compute advanced electronic properties of materials with high +efficiency and accuracy. + +This package provides the shared library for wannier90. + %package devel -Summary: Devel files for %{name} +Summary: Library for generating Wannier functions - headers and development files %description devel +Wannier90 is a library for generating maximally-localized Wannier functions and +using them to compute advanced electronic properties of materials with high +efficiency and accuracy. + This package provides files needed for developing against wannier90. %prep -%setup -q -n %{pname}-%{version} -%patch -P 0 -p1 -%patch -P 1 -p1 -%if 0%{?suse_version} >= 1550 -%patch -P 2 -p1 +%autosetup -N -n %{pname}-%{version} +%autopatch -p1 -M 2 +%ifarch %arm64 +%patch -P 3 -p1 %endif %build -# No configure script -cp ./config/make.inc.gfort.dynlib make.inc - %if %{with mpi} source %{my_bindir}/mpivars.sh -sed -i "s/^#COMMS\s*=\s*mpi/COMMS = mpi/" make.inc -sed -i "s/^#MPIF90\s*=\s*mpgfortran #mpif90/MPIF90 = mpif90/" make.inc -cat make.inc %endif - -%make_build all dynlib +%cmake \ + -DCMAKE_INSTALL_BINDIR=%{my_bindir} \ + -DCMAKE_INSTALL_INCLUDEDIR=%{my_incdir} \ + -DCMAKE_INSTALL_LIBDIR=%{my_libdir} \ + -DCMAKE_INSTALL_MODULEDIR=%{my_fmoddir} \ + -DWANNIER90_WITH_C=ON \ + -DWANNIER90_MPI=%{?with_mpi:ON}%{!?with_mpi:OFF} \ +%{nil} +%cmake_build %install -%make_install PREFIX=%{my_prefix} pkgconfig +%cmake_install -rm %{buildroot}%{my_prefix}/lib/*.a -mkdir -p %{buildroot}%{my_libdir}/pkgconfig -find ./ -name "*.so" -print -exec install {} %{buildroot}%{my_libdir}/ \; -if [ "%{_lib}" != "lib" ] -then - mv %{buildroot}%{my_prefix}/lib/pkgconfig/*.pc %{buildroot}%{my_libdir}/pkgconfig/ -fi -sed -i "s|%{buildroot}||g" %{buildroot}%{my_libdir}/pkgconfig/*.pc +# Tests are wrecked on i586; don't even bother +%ifnarch %ix86 +# Tests deadlock on openmpi5 +%if 0%{?mpi_vers} != 5 +%check +%if %{with mpi} +source %{my_bindir}/mpivars.sh +%endif +# Some tests are very memory intensive +%limit_build -m 6000 +%ctest +%endif +%endif +# -%post -p /sbin/ldconfig -%postun -p /sbin/ldconfig +%ldconfig_scriptlets -n %{libname} %files %license LICENSE %doc CHANGELOG.md README.rst %{my_bindir}/* +%files -n %{libname} +%{my_libdir}/lib*.so.* + %files devel -%{my_libdir}/*.so +%{my_fmoddir}/Wannier90/ +%{my_incdir}/*.h %{my_libdir}/pkgconfig/*.pc +%{my_libdir}/lib*.so +%{my_libdir}/cmake/Wannier90/ +%if %{with mpi} +%dir %{my_libdir}/cmake +%dir %{my_libdir}/finclude +%endif ++++++ _constraints ++++++ <constraints> <hardware> <physicalmemory> <size unit="G">12</size> </physicalmemory> </hardware> <overwrite> <conditions> <arch>aarch64</arch> </conditions> <hardware> <physicalmemory> <size unit="G">4</size> </physicalmemory> </hardware> </overwrite> </constraints> ++++++ wannier90-3.1.0.tar.gz -> wannier90-4.0.2.tar.gz ++++++ /work/SRC/openSUSE:Factory/wannier90/wannier90-3.1.0.tar.gz /work/SRC/openSUSE:Factory/.wannier90.new.1265/wannier90-4.0.2.tar.gz differ: char 12, line 1 ++++++ wannier90-arm64-disable-failing-test.patch ++++++ --- test-suite/tests/CMakeLists.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) Index: wannier90-4.0.2/test-suite/tests/CMakeLists.txt =================================================================== --- wannier90-4.0.2.orig/test-suite/tests/CMakeLists.txt +++ wannier90-4.0.2/test-suite/tests/CMakeLists.txt @@ -74,7 +74,7 @@ set(test_names testw90_example26 testw90_example36 testw90_gaas_disentanglement_issue192 - testw90_graphene_dis_proj_auto +# testw90_graphene_dis_proj_auto # Fails on arm64 https://github.com/wannier-developers/wannier90/issues/678 testw90_graphene_pdwf testw90_guidingcentre_selectproj testw90_knbo3_higher ++++++ wannier90-disable-failing-test.patch ++++++ Index: wannier90-4.0.2/test-suite/tests/CMakeLists.txt =================================================================== --- wannier90-4.0.2.orig/test-suite/tests/CMakeLists.txt +++ wannier90-4.0.2/test-suite/tests/CMakeLists.txt @@ -1,7 +1,7 @@ ## List tests set(test_names checkpoint0_write - checkpoint1_read +# checkpoint1_read # Disabled because fails to del files on chroot # partestw90_mpierr # Disabled because test intended to fail testpostw90_boltzwann testpostw90_example04_dos ++++++ wannier90-pkgconfig-paths.patch ++++++ --- CMakeLists.txt | 5 +++++ cmake/wannier90.pc.in | 6 +++--- 2 files changed, 8 insertions(+), 3 deletions(-) Index: wannier90-4.0.2/CMakeLists.txt =================================================================== --- wannier90-4.0.2.orig/CMakeLists.txt +++ wannier90-4.0.2/CMakeLists.txt @@ -73,6 +73,11 @@ if (WANNIER90_INSTALL) OUTPUT_VARIABLE CMAKE_INSTALL_FULL_MODULEDIR ) endif () + + # Relative paths needed for relocatable pkgconfig file + file(RELATIVE_PATH CMAKE_INSTALL_INCLUDEDIR_RELATIVE ${CMAKE_INSTALL_PREFIX} ${CMAKE_INSTALL_FULL_INCLUDEDIR}) + file(RELATIVE_PATH CMAKE_INSTALL_LIBDIR_RELATIVE ${CMAKE_INSTALL_PREFIX} ${CMAKE_INSTALL_FULL_LIBDIR}) + file(RELATIVE_PATH CMAKE_INSTALL_MODULEDIR_RELATIVE ${CMAKE_INSTALL_PREFIX} ${CMAKE_INSTALL_FULL_MODULEDIR}) endif () ## Populate variables for FetchContent and sub-projects Index: wannier90-4.0.2/cmake/wannier90.pc.in =================================================================== --- wannier90-4.0.2.orig/cmake/wannier90.pc.in +++ wannier90-4.0.2/cmake/wannier90.pc.in @@ -1,7 +1,7 @@ prefix: @CMAKE_INSTALL_PREFIX@ -libdir: ${prefix}/@CMAKE_INSTALL_LIBDIR@ -includedir: ${prefix}/@CMAKE_INSTALL_INCLUDEDIR@ -moduledir: ${prefix}/@CMAKE_INSTALL_MODULEDIR@/Wannier90 +libdir: ${prefix}/@CMAKE_INSTALL_LIBDIR_RELATIVE@ +includedir: ${prefix}/@CMAKE_INSTALL_INCLUDEDIR_RELATIVE@ +moduledir: ${prefix}/@CMAKE_INSTALL_MODULEDIR_RELATIVE@/Wannier90 Name: wannier Version: @PROJECT_VERSION@
