Martin Pluskal
91c0bef5c4
- Use gfortran-14 for building on Leap OBS-URL: https://build.opensuse.org/package/show/science/openmopac?expand=0&rev=7
105 lines
2.8 KiB
RPMSpec
105 lines
2.8 KiB
RPMSpec
#
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# spec file for package openmopac
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#
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# Copyright (c) 2025 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 libname libmopac2
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Name: openmopac
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Version: 23.1.2
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Release: 0
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Summary: Molecular Orbital PACkage
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License: Apache-2.0
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URL: https://openmopac.github.io
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Source0: mopac-%{version}.tar.gz
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BuildRequires: blas-devel
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BuildRequires: cmake
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BuildRequires: lapack-devel
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BuildRequires: python3-numpy-devel
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# mopac7 is obsolete version of same software
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Provides: mopac7 = %{version}
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Obsoletes: mopac7 < %{version}
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%if 0%{?suse_version} > 1550
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BuildRequires: gcc-fortran
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%else
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BuildRequires: gcc14-fortran
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%endif
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%description
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MOPAC is a computational chemistry software package that implements a
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variety of semi-empirical quantum chemistry methods based on the neglect of
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diatomic differential overlap (NDDO) approximation and fit primarily for
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gas-phase thermochemistry
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%package -n %{libname}
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Summary: Dynamic libraries from %{name}
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%description -n %{libname}
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MOPAC is a computational chemistry software package that implements a
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variety of semi-empirical quantum chemistry methods based on the neglect of
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diatomic differential overlap (NDDO) approximation and fit primarily for
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gas-phase thermochemistry
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This package contains dynamic libraries.
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%package -n mopac-devel
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Summary: Header files for %{name}
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Requires: %{libname} = %{version}
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Provides: libmopac7-1-devel
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%description -n mopac-devel
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MOPAC is a computational chemistry software package that implements a
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variety of semi-empirical quantum chemistry methods based on the neglect of
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diatomic differential overlap (NDDO) approximation and fit primarily for
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gas-phase thermochemistry
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This package contains development files.
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%prep
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%autosetup -n mopac-%{version}
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%build
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%if 0%{?suse_version} < 1550
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export FC="gfortran-14"
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%endif
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%cmake
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%cmake_build
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%install
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%cmake_install
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%check
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%ctest
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%ldconfig_scriptlets -n %{libname}
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%files
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%license LICENSE
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%doc README.md
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%{_bindir}/mopac
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%{_bindir}/mopac-makpol
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%{_bindir}/mopac-param
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%files -n %{libname}
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%license LICENSE
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%{_libdir}/libmopac.so.2
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%files -n mopac-devel
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%license LICENSE
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%{_includedir}/mopac.h
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%{_libdir}/libmopac.so
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%changelog
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