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File gau2grid.spec of Package gau2grid
# # spec file for package gau2grid # # Copyright (c) 2021 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 sonum 2 %define libname libgg%{sonum} Name: gau2grid Version: 2.0.7 Release: 0 Summary: Computation of a gaussian function and its derivative on a grid License: BSD-3-Clause URL: https://github.com/dgasmith/gau2grid Source0: https://github.com/dgasmith/gau2grid/archive/v%{version}.tar.gz#/%{name}-%{version}.tar.gz BuildRequires: cmake BuildRequires: gcc-c++ BuildRequires: python3-devel BuildRequires: python3-numpy %description A collocation code for computing gaussians on a grid of the form: out_Lp = x^l y^m z^n \sum_i coeff_i e^(exponent_i * (|center - p|)^2) This version has been built with -DCARTESIAN_ORDER=row -DSPHERICAL_ORDER=gaussian for compatibility with psi4. %package -n %{libname} Summary: Computation of a gaussian function and its derivative on a grid %description -n %{libname} A collocation code for computing gaussians on a grid of the form: out_Lp = x^l y^m z^n \sum_i coeff_i e^(exponent_i * (|center - p|)^2) This version has been built with -DCARTESIAN_ORDER=row -DSPHERICAL_ORDER=gaussian for compatibility with psi4. %package devel Summary: Development headers for gau2grid Requires: %{libname} = %{version}-%{release} %description devel This package contains the development headers for gau2grid. %prep %autosetup -p1 %build %cmake -DCARTESIAN_ORDER=row \ -DSPHERICAL_ORDER=gaussian \ -DENABLE_XHOST=off \ -DCMAKE_INSTALL_LIBDIR=%{_libdir} %cmake_build %install %cmake_install %post -n %{libname} -p /sbin/ldconfig %postun -n %{libname} -p /sbin/ldconfig %files -n %{libname} %license LICENSE %doc README.md %{_libdir}/libgg.so.2 %files devel %{_includedir}/gau2grid %{_datadir}/cmake/gau2grid %{_libdir}/libgg.so %changelog
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