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File dakota.spec of Package dakota
# # spec file for package dakota # # Copyright (c) 2023 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/ # # Optionally build using the trilinos package in science. This # requires the '--with trilinos' build flag %bcond_with trilinos Name: dakota Version: 6.17.0 Release: 0 Summary: Explore and predict with confidence License: LGPL-2.1-or-later Group: Development/Libraries/C and C++ Url: https://dakota.sandia.gov/ Source: https://dakota.sandia.gov/sites/default/files/distributions/public/%{name}-%{version}-release-public-src-cli.tar.gz Recommends: %{name}-examples BuildRequires: blas-devel BuildRequires: cmake BuildRequires: eigen3-devel BuildRequires: fdupes BuildRequires: gcc BuildRequires: gcc-c++ BuildRequires: gcc-fortran BuildRequires: lapack-devel BuildRequires: libboost_filesystem-devel >= 1.69 BuildRequires: libboost_program_options-devel BuildRequires: libboost_regex-devel BuildRequires: libboost_serialization-devel BuildRequires: libboost_system-devel BuildRequires: perl BuildRequires: python-rpm-macros BuildRequires: %{python_module numpy-devel} %{?with_trilinos:BuildRequires: trilinos-devel} # See the following section on setting memory-related constraints # without a '_constraints' file # https://en.opensuse.org/openSUSE:Specfile_guidelines BuildRequires: memory-constraints %description The Dakota project delivers both state-of-the-art research and robust, usable software for optimization and UQ. Broadly, the Dakota software's advanced parametric analyses enable design exploration, model calibration, risk analysis, and quantification of margins and uncertainty with computational models. The Dakota toolkit provides a flexible, extensible interface between such simulation codes and its iterative systems analysis methods, which include: - optimization with gradient and nongradient-based methods; - uncertainty quantification with sampling, reliability, stochastic expansion, and epistemic methods; - parameter estimation using nonlinear least squares (deterministic) or Bayesian inference (stochastic); and - sensitivity/variance analysis with design of experiments and parameter study methods. These capabilities may be used on their own or as components within advanced strategies such as hybrid optimization, surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty. NOTE: The version in this package has NOT been compiled with MPI support. %package examples Summary: Examples for %{name} Group: Development/Libraries/C and C++ Requires: %{name} = %{version} %description examples This package contains examples included with %{name}. %package devel Summary: Development Files for %{name} Group: Development/Libraries/C and C++ %description devel This package contains development files necessary for developing applications based on %{name}. %prep %setup -q -n %{name}-%{version}-release-public-src-cli # Remove bad .orig file find . -name '*cmake.orig' -print -delete %build # Ignore bad switch statements, https://github.com/snl-dakota/dakota-packages/issues/2 %global optflags %{optflags} -Wno-error=return-type # Remove RPATHs, all libraries are installed in %{_libdir} %cmake \ -DCMAKE_SHARED_LINKER_FLAGS:STRING="-Wl,--as-needed -Wl,-z,now" \ -DCMAKE_SKIP_RPATH:BOOL=ON \ -DDakota_INSTALL_CMAKE_DIR:PATH=%{_lib}/cmake/%{name} \ -DPYTHON_EXECUTABLE:PATH=%python3 \ -DDAKOTA_PYTHON:BOOL=ON \ -DDAKOTA_EXAMPLES_INSTALL:PATH=%{_lib}/%{name} \ -DDakota_INCLUDE_INSTALL_DIR:PATH=include/%{name} \ -DDAKOTA_ENABLE_TESTS:BOOL=OFF \ -DEigen3_DIR=/usr/share/eigen3/cmake \ %if 0%{with trilinos} -DCMAKE_CXX_FLAGS:STRING='-I/usr/include/trilinos' \ %else -DTrilinos_INSTALL_LIB_DIR:PATH=%{_lib} \ -DDAKOTA_ENABLE_TEUCHOS_UNIT_TESTS:BOOL=OFF \ %endif #-DDAKOTA_HAVE_MPI:BOOL=ON \ # Require 2GB mem per thread %limit_build -m 2000 %cmake_build %install %cmake_install %if "%{_lib}" != "lib" # https://github.com/snl-dakota/dakota-packages/issues/3 mv %{buildroot}/%{_prefix}/lib/*.so* %{buildroot}/%{_libdir}/ mv %{buildroot}/%{_prefix}/lib/cmake/* %{buildroot}/%{_libdir}/cmake/ %endif # Convert all instances of #!/usr/bin/env python to #!/usr/bin/python3 find %{buildroot} -type f -iname \*py -exec sed -i '1 { /env python/ s@.*@#!/usr/bin/python3@ }' '{}' \; # set executable bit on example executables chmod +x %{buildroot}/%{_libdir}/%{name}/examples/parallelism/Case3-EvaluationTiling/MachinefileMgmt/pbs_submission chmod +x %{buildroot}/%{_libdir}/%{name}/examples/parallelism/Case3-EvaluationTiling/OpenMPI/job_submission chmod +x %{buildroot}/%{_libdir}/%{name}/examples/parallelism/Case4-EvaluationSubmission/post_process # Delete unneeded files instead of excluding them rm %{buildroot}/%{_bindir}/dakota.input.nspec rm %{buildroot}/%{_bindir}/dakota.input.summary rm %{buildroot}/%{_bindir}/dakota.xml rm %{buildroot}/%{_bindir}/dakota.xsd # Delete windows batch files rm %{buildroot}/%{_libdir}/%{name}/examples/official/drivers/windows_bat/simulator_script.bat rm %{buildroot}/%{_libdir}/%{name}/examples/users/Scilab/script/Rosenbrock/scilab_rosen_bb_simulator.bat # Delete Installation instructions rm %{buildroot}/%{_datadir}/%{name}/INSTALL rm -r %{buildroot}/%{_datadir}/%{name}/test # Create python .pth file for importing dakota.interfacing module mkdir -p %{buildroot}/%{python_sitelib} echo %{_datadir}/%{name}/Python > %{buildroot}/%{python_sitelib}/dakota.pth # Remove duplicate files %fdupes %{buildroot}/%{_bindir} %fdupes %{buildroot}/%{_datadir} %fdupes %{buildroot}/%{_libdir}/%{name}/examples %post -n %{name} -p /sbin/ldconfig %postun -n %{name} -p /sbin/ldconfig %files %doc %{_datadir}/%{name}/{README,VERSION} %license %{_datadir}/%{name}/{COPYRIGHT,LICENSE,LICENSE_HOPSPACK} %{_bindir}/* # Include Python and Bash bindings by default %dir %{_datadir}/%{name} %{_datadir}/%{name}/Bash %{_datadir}/%{name}/Python %{python_sitelib}/dakota.pth %{_libdir}/*.so.* %files devel %dir %{_libdir}/%{name} %{_libdir}/*.so %{_libdir}/cmake/* %dir %{_datadir}/%{name} %{_datadir}/%{name}/plugins %{_includedir}/* %files examples %dir %{_libdir}/%{name} %{_libdir}/%{name}/examples %changelog
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