diff --git a/xtb-6.7.1-formatting.patch b/xtb-6.7.1-formatting.patch deleted file mode 100644 index 3616c9a..0000000 --- a/xtb-6.7.1-formatting.patch +++ /dev/null @@ -1,12 +0,0 @@ -diff -up xtb-6.7.1/src/optimizer.f90.formatting xtb-6.7.1/src/optimizer.f90 ---- xtb-6.7.1/src/optimizer.f90.formatting 2024-07-23 20:08:02.000000000 +0000 -+++ xtb-6.7.1/src/optimizer.f90 2025-09-21 13:40:52.804499013 +0000 -@@ -849,7 +849,7 @@ subroutine relax(env,iter,mol,anc,restar - write(env%unit,'(5x,"change ",e18.7,1x,"Eh")') echng - write(env%unit,'(3x,"gradient norm :",f14.7,1x,"Eh/α")',advance='no') gnorm - write(env%unit,'(3x,"predicted",e18.7)',advance='no') depred -- write(env%unit,'(1x,"("f7.2"%)")') (depred-echng)/echng*100 -+ write(env%unit,'(1x,"(",f7.2,"%)")') (depred-echng)/echng*100 - endif - - ! check 0 energy case ! diff --git a/xtb.spec b/xtb.spec index 915cd06..6f9ab35 100644 --- a/xtb.spec +++ b/xtb.spec @@ -8,12 +8,9 @@ %global blasvar o %endif -# avoid bash/tcsh dependencies from config_env scripts -%global __requires_exclude_from ^%{_datadir}/xtb/.*$ - Name: xtb Version: 6.7.1 -Release: 7%{?dist} +Release: 1%{?dist} Summary: Semiempirical Extended Tight-Binding Program Package License: LGPL-3.0-or-later URL: https://github.com/grimme-lab/xtb/ @@ -23,8 +20,6 @@ Source0: https://github.com/grimme-lab/xtb/archive/v%{version}/xtb-%{vers Patch0: xtb-6.5.1-fedora.patch # Add sanity checks to environment variables, https://github.com/grimme-lab/xtb/pull/317 Patch4: xtb-6.3.2-environment.patch -# Fix fortran formatting, issue was fixed upstream in #1278 -Patch5: xtb-6.7.1-formatting.patch BuildRequires: gcc-gfortran BuildRequires: meson @@ -76,11 +71,10 @@ This package contains development headers for xtb. %setup -q %patch 0 -p1 -b .fedoraver %patch 4 -p1 -b .env -%patch 5 -p1 -b .formatting %build -export FFLAGS="$FFLAGS -fPIC" -export FCFLAGS="$FCFLAGS -fPIC" +export FFLAGS="%{optflags} -I%{_fmoddir} -fPIC" +export FCLAGS="%{optflags} -I%{_fmoddir} -fPIC" # TODO: tblite and cpcm-x support should ideally be turned on, but the packages are not yet in Fedora %meson -Dlapack=custom -Dcustom_libraries=%{blaslib}%{blasvar} -Dtblite=disabled -Dcpcmx=disabled date=$(date) @@ -90,8 +84,6 @@ character(len=*),parameter :: version = "%{version}-%{release}%{dist}" character(len=*),parameter :: date = "$date" character(len=*),parameter :: author = "Fedora project" EOF -# Meson dependency workaround from BZ #2390464 -ninja -C %{_vpath_builddir} -j %{_smp_build_ncpus} %{?__meson_verbose:--verbose} libxtb.a %meson_build %install @@ -142,24 +134,6 @@ export OMP_NUM_THREADS=1 %{_libdir}/pkgconfig/xtb.pc %changelog -* Fri Jul 17 2026 Fedora Release Engineering - 6.7.1-7 -- Rebuilt for https://fedoraproject.org/wiki/Fedora_45_Mass_Rebuild - -* Sat Jan 17 2026 Fedora Release Engineering - 6.7.1-6 -- Rebuilt for https://fedoraproject.org/wiki/Fedora_44_Mass_Rebuild - -* Sun Sep 21 2025 Susi Lehtola - 6.7.1-5 -- Patch out formatting issue in code that causes a crash. - -* Mon Sep 15 2025 Susi Lehtola - 6.7.1-4 -- Fix FTBFS caused by lack of dependency tracking in meson (BZ #2390464) - -* Fri Jul 25 2025 Fedora Release Engineering - 6.7.1-3 -- Rebuilt for https://fedoraproject.org/wiki/Fedora_43_Mass_Rebuild - -* Sun Jan 19 2025 Fedora Release Engineering - 6.7.1-2 -- Rebuilt for https://fedoraproject.org/wiki/Fedora_42_Mass_Rebuild - * Fri Sep 13 2024 Susi Lehtola - 6.7.1-1 - Update to 6.7.1.