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%global commit 25cf05713dc22fb5aabdc596d8a567997d1bddc5
%global shortcommit %(c=%{commit}; echo ${c:0:7})

Name:           gau2grid
Version:        1.2.0
Release:        3.%{shortcommit}git%{?dist}
Summary:        Fast computation of a gaussian function and its derivative on a grid
License:        BSD

BuildRequires:  cmake
BuildRequires:  gcc-c++
BuildRequires:  python3-devel
BuildRequires:  python3-numpy

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:       cmake
Requires:       %{name}%{?_isa} = %{version}-%{release}

%description devel
This package contains the development headers for gau2grid.

%autosetup -n %{name}-%{commit}

mkdir objdir
cd objdir
cd ..

%{make_install} -C objdir

%license LICENSE

%files devel

* Sat Nov 10 2018 Susi Lehtola <> - 1.2.0-3.25cf057git
- Update to 25cf057git to address FTBFS issues.

* Sun Sep 23 2018 Susi Lehtola <> - 1.2.0-2
- Review fixes, including addition of soname.

* Sat Sep 22 2018 Susi Lehtola <> - 1.2.0-1
- Initial release.