andy great
f0a3072d65
Do not build with -march=native to Avoid compile-time CPU-detection (boo#1100677) OBS-URL: https://build.opensuse.org/request/show/1009603 OBS-URL: https://build.opensuse.org/package/show/science/gau2grid?expand=0&rev=2
85 lines
2.4 KiB
RPMSpec
85 lines
2.4 KiB
RPMSpec
#
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# spec file for package gau2grid
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#
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# Copyright (c) 2021 SUSE LLC
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#
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# All modifications and additions to the file contributed by third parties
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# remain the property of their copyright owners, unless otherwise agreed
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# upon. The license for this file, and modifications and additions to the
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# file, is the same license as for the pristine package itself (unless the
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# license for the pristine package is not an Open Source License, in which
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# case the license is the MIT License). An "Open Source License" is a
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# license that conforms to the Open Source Definition (Version 1.9)
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# published by the Open Source Initiative.
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# Please submit bugfixes or comments via https://bugs.opensuse.org/
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#
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%define sonum 2
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%define libname libgg%{sonum}
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Name: gau2grid
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Version: 2.0.7
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Release: 0
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Summary: Computation of a gaussian function and its derivative on a grid
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License: BSD-3-Clause
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URL: https://github.com/dgasmith/gau2grid
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Source0: https://github.com/dgasmith/gau2grid/archive/v%{version}.tar.gz#/%{name}-%{version}.tar.gz
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BuildRequires: cmake
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BuildRequires: gcc-c++
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BuildRequires: python3-devel
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BuildRequires: python3-numpy
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%description
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A collocation code for computing gaussians on a grid of the form:
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out_Lp = x^l y^m z^n \sum_i coeff_i e^(exponent_i * (|center - p|)^2)
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This version has been built with -DCARTESIAN_ORDER=row
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-DSPHERICAL_ORDER=gaussian for compatibility with psi4.
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%package -n %{libname}
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Summary: Computation of a gaussian function and its derivative on a grid
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%description -n %{libname}
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A collocation code for computing gaussians on a grid of the form:
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out_Lp = x^l y^m z^n \sum_i coeff_i e^(exponent_i * (|center - p|)^2)
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This version has been built with -DCARTESIAN_ORDER=row
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-DSPHERICAL_ORDER=gaussian for compatibility with psi4.
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%package devel
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Summary: Development headers for gau2grid
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Requires: %{libname} = %{version}-%{release}
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%description devel
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This package contains the development headers for gau2grid.
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%prep
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%autosetup -p1
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%build
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%cmake -DCARTESIAN_ORDER=row \
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-DSPHERICAL_ORDER=gaussian \
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-DENABLE_XHOST=off \
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-DCMAKE_INSTALL_LIBDIR=%{_libdir}
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%cmake_build
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%install
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%cmake_install
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%post -n %{libname} -p /sbin/ldconfig
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%postun -n %{libname} -p /sbin/ldconfig
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%files -n %{libname}
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%license LICENSE
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%doc README.md
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%{_libdir}/libgg.so.2
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%files devel
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%{_includedir}/gau2grid
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%{_datadir}/cmake/gau2grid
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%{_libdir}/libgg.so
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%changelog
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