File gau2grid.spec of Package gau2grid

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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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File gau2grid.spec of Package gau2grid

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