libint-devel-2.7.2-2.4 RPM for x86_64

From OpenSuSE Tumbleweed for x86_64

LIBINT computes the Coulomb and exchange integrals, which in electronic
structure theory are called electron repulsion integrals (ERIs). This is by
far the most common type of integrals in molecular structure theory.

LIBINT uses recursive schemes that originate in seminal Obara-Saika method and
Head-Gordon and Pople’s variation thereof. The idea of LIBINT is to optimize
computer implementation of such methods by implementing an optimizing compiler
to generate automatically highly-specialized code that runs well on
super-scalar architectures.

This package contains development headers and libraries for libint.

Provides

• libint-devel
• libint-devel(x86-64)
• pkgconfig(libint2)

Requires

• /usr/bin/pkg-config
• eigen3-devel
• libint2-2 = 2.7.2
• rpmlib(CompressedFileNames) <= 3.0.4-1
• rpmlib(FileDigests) <= 4.6.0-1
• rpmlib(PayloadFilesHavePrefix) <= 4.0-1
• rpmlib(PayloadIsZstd) <= 5.4.18-1

License

GPL-3.0-or-later AND LGPL-3.0-or-later

Changelog

* Wed Jan 18 2023 Andreas Schwab <schwab@suse.de>
  - Update constraints for riscv64
* Thu Dec 15 2022 Guillaume GARDET <guillaume.gardet@opensuse.org>
  - Exclude 32-bits
  - Update to 2.7.2:
    * PR 251: fixed exponential integrals for large T
    * PR 243: fixed Taylor-based Boys engine (HT @bingao)
* Thu Apr 28 2022 Guillaume GARDET <guillaume.gardet@opensuse.org>
  - Increase disk size to avoid 'No space left' error
* Wed Feb 09 2022 Bernhard Wiedemann <bwiedemann@suse.com>
  - Update to version 2.7.1
    * numerous fixes and improvements. See CHANGES for the list of changes
    * Sort input file list for reproducible builds (boo#1041090)
* Mon Oct 26 2020 Christoph Junghans <junghans@votca.org>
  - Build needs 4GB of memory
* Wed Oct 14 2020 Christoph Junghans <junghans@votca.org>
  - Enable even more features
* Tue Oct 13 2020 Christoph Junghans <junghans@votca.org>
  - Compile with support derivatives of 3-center electron repulsion integrals
* Sun Aug 23 2020 Christoph Junghans <junghans@votca.org>
  - Initial import

Files

/usr/include/libint2
/usr/include/libint2.h
/usr/include/libint2.hpp
/usr/include/libint2/GenericContract.h
/usr/include/libint2/GenericGaussDeriv.h
/usr/include/libint2/GenericGaussDeriv.impl.h
/usr/include/libint2/GenericScale.h
/usr/include/libint2/ITR_xs_xs.h
/usr/include/libint2/OSVRR_sx_sx.h
/usr/include/libint2/OSVRR_sx_sx_deriv.h
/usr/include/libint2/OSVRR_xs_xs.h
/usr/include/libint2/OSVRR_xs_xs_deriv.h
/usr/include/libint2/VRR_GTG_1d_xx_xx.h
/usr/include/libint2/VRR_GTG_1d_xx_xx_vec.h
/usr/include/libint2/VRR_r12kg12_xs_xs.h
/usr/include/libint2/atom.h
/usr/include/libint2/basis.h
/usr/include/libint2/boys.h
/usr/include/libint2/boys_cheb7.h
/usr/include/libint2/boys_cheb7_v2.h
/usr/include/libint2/boys_fwd.h
/usr/include/libint2/braket.h
/usr/include/libint2/cartesian.h
/usr/include/libint2/cgshell_ordering.h
/usr/include/libint2/cgshellinfo.h
/usr/include/libint2/chemistry
/usr/include/libint2/chemistry/elements.h
/usr/include/libint2/chemistry/sto3g_atomic_density.h
/usr/include/libint2/config.h
/usr/include/libint2/cxxapi.h
/usr/include/libint2/deriv_iter.h
/usr/include/libint2/deriv_map.h
/usr/include/libint2/diis.h
/usr/include/libint2/engine.h
/usr/include/libint2/engine.impl.h
/usr/include/libint2/initialize.h
/usr/include/libint2/lcao
/usr/include/libint2/lcao/1body.h
/usr/include/libint2/lcao/molden.h
/usr/include/libint2/libint2_iface.h
/usr/include/libint2/libint2_params.h
/usr/include/libint2/libint2_types.h
/usr/include/libint2/numeric.h
/usr/include/libint2/shell.h
/usr/include/libint2/shgshell_ordering.h
/usr/include/libint2/solidharmonics.h
/usr/include/libint2/statics_definition.h
/usr/include/libint2/tenno_cheb.h
/usr/include/libint2/tenno_cheb15.h
/usr/include/libint2/tensor.h
/usr/include/libint2/util
/usr/include/libint2/util/any.h
/usr/include/libint2/util/array_adaptor.h
/usr/include/libint2/util/compressed_pair.h
/usr/include/libint2/util/cxxstd.h
/usr/include/libint2/util/deprecated.h
/usr/include/libint2/util/generated
/usr/include/libint2/util/generated/libint2_iface.h
/usr/include/libint2/util/generated/libint2_params.h
/usr/include/libint2/util/generated/libint2_types.h
/usr/include/libint2/util/intpart_iter.h
/usr/include/libint2/util/intrinsic_operations.h
/usr/include/libint2/util/intrinsic_types.h
/usr/include/libint2/util/memory.h
/usr/include/libint2/util/singleton.h
/usr/include/libint2/util/small_vector.h
/usr/include/libint2/util/timer.h
/usr/include/libint2/util/type_traits.h
/usr/include/libint2/util/vector.h
/usr/include/libint2/util/vector_ppc.h
/usr/include/libint2/util/vector_x86.h
/usr/lib64/libint2.so
/usr/lib64/pkgconfig/libint2.pc

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Fabrice Bellet, Sat Mar 30 23:52:28 2024