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libcint
libcint.spec
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File libcint.spec of Package libcint
# # spec file for package libcint # # Copyright (c) 2023 SUSE LLC # # All modifications and additions to the file contributed by third parties # remain the property of their copyright owners, unless otherwise agreed # upon. The license for this file, and modifications and additions to the # file, is the same license as for the pristine package itself (unless the # license for the pristine package is not an Open Source License, in which # case the license is the MIT License). An "Open Source License" is a # license that conforms to the Open Source Definition (Version 1.9) # published by the Open Source Initiative. # Please submit bugfixes or comments via https://bugs.opensuse.org/ # %define major 5 %define libname %{name}%{major} %define develname cint Name: libcint Version: 5.5.0 Release: 0 Summary: General Gaussian-type orbitals integrals for quantum chemistry License: BSD-2-Clause URL: https://github.com/sunqm/libcint Source: https://github.com/sunqm/libcint/archive/v%{version}/%{name}-%{version}.tar.gz BuildRequires: cmake BuildRequires: gcc-fortran BuildRequires: openblas-devel BuildRequires: python3-numpy # qcint is a drop-in replacement of the same library with architecture dependent optimizations Conflicts: qcint %description libcint is an open source library for analytical Gaussian integrals. It provides C/Fortran API to evaluate one-electron / two-electron integrals for Cartesian / real-spherical / spinor Gaussian type functions. %package -n %{libname} Summary: General Gaussian-type orbitals integrals for quantum chemistry %description -n %{libname} libcint is an open source library for analytical Gaussian integrals. It provides C/Fortran API to evaluate one-electron / two-electron integrals for Cartesian / real-spherical / spinor Gaussian type functions. %package -n %{develname}-devel Summary: Development files for %{name} Requires: %{libname} = %{version} Conflicts: qcint-devel %description -n %{develname}-devel The %{name}-devel package contains libraries and header files for developing applications that use %{name}. %prep %autosetup -p1 %build %cmake -DCMAKE_INSTALL_LIBDIR=%{_lib} \ -DENABLE_EXAMPLE:BOOL=ON \ -DWITH_F12:BOOL=ON \ -DWITH_COULOMB_ERF:BOOL=ON \ -DWITH_RANGE_COULOMB:BOOL=ON \ -DENABLE_TEST:BOOL=ON \ -DQUICK_TEST:BOOL=ON %cmake_build %install %cmake_install %check %ctest %post -n %{libname} -p /sbin/ldconfig %postun -n %{libname} -p /sbin/ldconfig %files -n %{libname} %{_libdir}/libcint.so.%{major} %{_libdir}/libcint.so.%{version} %files -n %{develname}-devel %license LICENSE %doc README.rst doc/program_ref.pdf %{_includedir}/cint.h %{_includedir}/cint_funcs.h %{_libdir}/libcint.so %changelog
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