148 lines
4.3 KiB
RPMSpec
148 lines
4.3 KiB
RPMSpec
%define soname 6
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%if 0%{?fedora} >= 33
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%global blaslib flexiblas
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%global blasvar %{nil}
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%else
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%global blaslib openblas
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%global blasvar o
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%endif
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Name: xtb
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Version: 6.3.3
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Release: 1%{?dist}
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Summary: Semiempirical Extended Tight-Binding Program Package
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License: LGPLv3+
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URL: https://github.com/grimme-lab/xtb/
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Source0: https://github.com/grimme-lab/xtb/archive/v%{version}/xtb-%{version}.tar.gz
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# Fedora versioning
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Patch0: xtb-6.3.2-fedora.patch
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# Use LAPACK for matmul; https://github.com/grimme-lab/xtb/pull/266
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Patch2: xtb-6.3.1-lapack.patch
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# Add sanity checks to environment variables, https://github.com/grimme-lab/xtb/pull/317
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Patch4: xtb-6.3.2-environment.patch
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BuildRequires: gcc-gfortran
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BuildRequires: meson
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BuildRequires: ninja-build
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BuildRequires: %{blaslib}-devel
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# To generate man pages
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BuildRequires: rubygem-asciidoctor
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# The program queries $HOSTNAME at runtime and so fails to run in mock without this
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BuildRequires: hostname
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# Tests fail on s390x for some reason
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ExcludeArch: s390x
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%description
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The xtb program package developed by the Grimme group in Bonn.
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%package libs
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Summary: Data files and shared libraries for xtb
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# The program queries $HOSTNAME at runtime and so fails to run in mock without this
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Requires: hostname
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%description libs
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This package contains the data files and shared libraries for xtb.
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%package devel
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Summary: Development headers for xtb
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Requires: %{name}-libs%{?_isa} = %{version}-%{release}
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%description devel
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This package contains development headers for xtb.
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%prep
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%setup -q
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%patch0 -p1 -b .fedoraver
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%patch2 -p1 -b .lapack
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%patch4 -p1 -b .env
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%build
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%meson -Dla_backend=custom -Dcustom_libraries=%{blaslib}%{blasvar} -Dtest_timeout=2000
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date=$(date)
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# Create customized Fedora versioning
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cat > %{_vpath_builddir}/xtb_version.fh <<EOF
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character(len=*),parameter :: version = "%{version}-%{release}%{dist}"
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character(len=*),parameter :: date = "$date"
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character(len=*),parameter :: author = "Fedora project"
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EOF
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%meson_build
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%install
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%meson_install
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# Remove static library
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rm %{buildroot}%{_libdir}/libxtb.a
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# Remove environment module files
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rm -rf %{buildroot}%{_datadir}/modules
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# Create profile files
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mkdir -p %{buildroot}%{_sysconfdir}/profile.d
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cat > %{buildroot}%{_sysconfdir}/profile.d/xtb.sh <<EOF
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XTBPATH=%{_datadir}/xtb
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export XTBPATH
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EOF
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cat > %{buildroot}%{_sysconfdir}/profile.d/xtb.csh <<EOF
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setenv XTBPATH %{_datadir}/xtb
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EOF
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%check
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set
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# Set missing environment variable
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export HOSTNAME=$(hostname)
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%meson_test
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%files
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# LGPLv3+ license is stated at bottom of README.md
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%doc README.md CONTRIBUTING.md
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%{_bindir}/xtb
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%files libs
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%license COPYING COPYING.LESSER README.md
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%{_sysconfdir}/profile.d/xtb.sh
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%{_sysconfdir}/profile.d/xtb.csh
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%{_datadir}/xtb/
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%{_mandir}/man1/xtb.1*
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%{_mandir}/man7/xcontrol.7*
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%{_libdir}/libxtb.so.%{soname}*
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%files devel
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%{_includedir}/xtb.h
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%{_libdir}/libxtb.so
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%{_libdir}/pkgconfig/xtb.pc
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%changelog
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* Thu Sep 17 2020 Susi Lehtola <jussilehtola@fedoraproject.org> - 6.3.3-1
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- Update to 6.3.3.
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* Sun Aug 16 2020 Iñaki Úcar <iucar@fedoraproject.org> - 6.3.2-2
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- https://fedoraproject.org/wiki/Changes/FlexiBLAS_as_BLAS/LAPACK_manager
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* Wed Aug 05 2020 Susi Lehtola <jussilehtola@fedoraproject.org> - 6.3.2-1
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- Update to 6.3.2.
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* Sat Aug 01 2020 Fedora Release Engineering <releng@fedoraproject.org> - 6.3.1-7
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- Second attempt - Rebuilt for
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https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild
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* Wed Jul 29 2020 Fedora Release Engineering <releng@fedoraproject.org> - 6.3.1-6
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- Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild
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* Tue Jun 30 2020 Susi Lehtola <jussilehtola@fedoraproject.org> - 6.3.1-5
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- Review fixes.
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* Sun Jun 21 2020 Susi Lehtola <jussilehtola@fedoraproject.org> - 6.3.1-4
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- Drop Python requirements since the python stuff is now in another project.
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* Thu Jun 18 2020 Susi Lehtola <jussilehtola@fedoraproject.org> - 6.3.1-3
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- Fix crashes on several architectures.
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* Thu Jun 18 2020 Susi Lehtola <jussilehtola@fedoraproject.org> - 6.3.1-2
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- Add dependency on rubygem-asciidoc to get man pages.
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- Increase test timeouts to avoid build failures.
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- Disable architectures that fail to work.
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- Use external BLAS library for matmul.
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* Wed Jun 17 2020 Susi Lehtola <jussilehtola@fedoraproject.org> - 6.3.1-1
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- First release.
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