ergo-3.8.2-3.fc40 RPM for x86_64

From Fedora Rawhide for x86_64 / e

Ergo is a quantum chemistry program for large-scale self-consistent
field calculations.

Key features of the Ergo program:
* Performs electronic structure calculations using Hartree-Fock and
  Kohn-Sham density functional theory.
* Uses Gaussian basis sets.
* Both core and valence electrons are included in the calculations.
* Both restricted and unrestricted models are implemented for energy
  calculations.
* Implements a broad range of both pure and hybrid Kohn-Sham density
  functionals.
* Employs modern linear scaling techniques like fast multipole
  methods, hierarchic sparse matrix algebra, density matrix
  purification, and efficient integral screening.
* Linear scaling is achieved not only in terms of CPU usage but also
  memory utilization.
* The time consuming parts of the code are currently parallelized
  using the shared-memory paradigm.

Linear response calculations of polarizabilities and excitation energies are
possible for the restricted reference density, although complete linear scaling
is in the current implementation not achieved since full dense matrices are
still used in parts of the linear response implementation.

Provides

• ergo
• ergo(x86-64)

Requires

• libc.so.6()(64bit)
• libc.so.6(GLIBC_2.14)(64bit)
• libc.so.6(GLIBC_2.2.5)(64bit)
• libc.so.6(GLIBC_2.3)(64bit)
• libc.so.6(GLIBC_2.3.2)(64bit)
• libc.so.6(GLIBC_2.3.4)(64bit)
• libc.so.6(GLIBC_2.33)(64bit)
• libc.so.6(GLIBC_2.34)(64bit)
• libc.so.6(GLIBC_2.38)(64bit)
• libc.so.6(GLIBC_2.4)(64bit)
• libc.so.6(GLIBC_2.7)(64bit)
• libc.so.6(GLIBC_ABI_DT_RELR)(64bit)
• libflexiblas.so.3()(64bit)
• libgcc_s.so.1()(64bit)
• libgcc_s.so.1(GCC_3.0)(64bit)
• libgcc_s.so.1(GCC_3.3.1)(64bit)
• libgomp.so.1()(64bit)
• libgomp.so.1(GOMP_1.0)(64bit)
• libgomp.so.1(GOMP_4.0)(64bit)
• libgomp.so.1(GOMP_4.5)(64bit)
• libgomp.so.1(OMP_1.0)(64bit)
• libm.so.6()(64bit)
• libm.so.6(GLIBC_2.2.5)(64bit)
• libm.so.6(GLIBC_2.29)(64bit)
• libstdc++.so.6()(64bit)
• libstdc++.so.6(CXXABI_1.3)(64bit)
• libstdc++.so.6(CXXABI_1.3.15)(64bit)
• libstdc++.so.6(CXXABI_1.3.8)(64bit)
• libstdc++.so.6(CXXABI_1.3.9)(64bit)
• libstdc++.so.6(GLIBCXX_3.4)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.11)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.15)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.21)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.26)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.29)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.30)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.32)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.9)(64bit)
• rpmlib(CompressedFileNames) <= 3.0.4-1
• rpmlib(FileDigests) <= 4.6.0-1
• rpmlib(PayloadFilesHavePrefix) <= 4.0-1
• rpmlib(PayloadIsZstd) <= 5.4.18-1
• rtld(GNU_HASH)

License

GPLv3+

Changelog

* Wed Jan 24 2024 Fedora Release Engineering <releng@fedoraproject.org> - 3.8.2-3
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild
* Fri Jan 19 2024 Fedora Release Engineering <releng@fedoraproject.org> - 3.8.2-2
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild
* Mon Jul 24 2023 Susi Lehtola <jussilehtola@fedoraproject.org> - 3.8.2-1
  - Update to 3.8.2.
* Wed Jul 19 2023 Fedora Release Engineering <releng@fedoraproject.org> - 3.8-13
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild
* Thu Jan 19 2023 Fedora Release Engineering <releng@fedoraproject.org> - 3.8-12
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild
* Thu Jul 21 2022 Fedora Release Engineering <releng@fedoraproject.org> - 3.8-11
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild

Files

/usr/bin/ergo
/usr/lib/.build-id
/usr/lib/.build-id/9e
/usr/lib/.build-id/9e/2cf9d2e067eef4f2d421eaf4a76291aa9e6d1d
/usr/share/doc/ergo
/usr/share/doc/ergo/README
/usr/share/doc/ergo/ergo_release_notes_3_8.txt
/usr/share/doc/ergo/ergo_release_notes_3_8_1.txt
/usr/share/doc/ergo/ergo_release_notes_3_8_2.txt
/usr/share/ergo
/usr/share/ergo/basis
/usr/share/ergo/basis/3-21++G
/usr/share/ergo/basis/3-21++Gs
/usr/share/ergo/basis/3-21G
/usr/share/ergo/basis/3-21Gs
/usr/share/ergo/basis/4-31G
/usr/share/ergo/basis/6-31++G
/usr/share/ergo/basis/6-31++Gs
/usr/share/ergo/basis/6-31++Gss
/usr/share/ergo/basis/6-31+G
/usr/share/ergo/basis/6-311++G_2d,2p_
/usr/share/ergo/basis/6-311++Gss
/usr/share/ergo/basis/6-311+Gs
/usr/share/ergo/basis/6-311G
/usr/share/ergo/basis/6-311Gs
/usr/share/ergo/basis/6-311Gss
/usr/share/ergo/basis/6-31G
/usr/share/ergo/basis/6-31Gfixed
/usr/share/ergo/basis/6-31Gs
/usr/share/ergo/basis/6-31Gss
/usr/share/ergo/basis/Ahlrichs-Coulomb-Fit
/usr/share/ergo/basis/Ahlrichs-TZV
/usr/share/ergo/basis/Ahlrichs-VDZ
/usr/share/ergo/basis/Ahlrichs-VTZ
/usr/share/ergo/basis/Ahlrichs-pVDZ
/usr/share/ergo/basis/AhlrichsDenFit
/usr/share/ergo/basis/AhlrichsVDZ
/usr/share/ergo/basis/AhlrichsVTZ
/usr/share/ergo/basis/Almlof-Taylor-ANO
/usr/share/ergo/basis/DunningDZ
/usr/share/ergo/basis/DunningTZ
/usr/share/ergo/basis/ECP
/usr/share/ergo/basis/ECP_pseudo
/usr/share/ergo/basis/GAMESS-PVTZ
/usr/share/ergo/basis/GAMESS-VTZ
/usr/share/ergo/basis/Huckel
/usr/share/ergo/basis/Huz-II
/usr/share/ergo/basis/Huz-III
/usr/share/ergo/basis/Huz-IIIsu3
/usr/share/ergo/basis/Huz-IIsu2
/usr/share/ergo/basis/Huz-IV
/usr/share/ergo/basis/Huz-IVsu4
/usr/share/ergo/basis/MIDI
/usr/share/ergo/basis/McLean-Chandler-VTZ
/usr/share/ergo/basis/NASA-Ames-ANO
/usr/share/ergo/basis/NQvD
/usr/share/ergo/basis/RoosAugDZANO
/usr/share/ergo/basis/STO-1G
/usr/share/ergo/basis/STO-2G
/usr/share/ergo/basis/STO-3G
/usr/share/ergo/basis/STO-6G
/usr/share/ergo/basis/Sadlej-pVTZ
/usr/share/ergo/basis/Sadlej-pVTZ-J
/usr/share/ergo/basis/Turbomole-DZ
/usr/share/ergo/basis/Turbomole-DZP
/usr/share/ergo/basis/Turbomole-QZV
/usr/share/ergo/basis/Turbomole-QZVP
/usr/share/ergo/basis/Turbomole-QZVPP
/usr/share/ergo/basis/Turbomole-SV
/usr/share/ergo/basis/Turbomole-SVP
/usr/share/ergo/basis/Turbomole-TZ
/usr/share/ergo/basis/Turbomole-TZP
/usr/share/ergo/basis/Turbomole-TZV
/usr/share/ergo/basis/Turbomole-TZVP
/usr/share/ergo/basis/Turbomole-TZVPP
/usr/share/ergo/basis/Turbomole-TZVPPP
/usr/share/ergo/basis/Wachtersa+f
/usr/share/ergo/basis/ano-1
/usr/share/ergo/basis/ano-2
/usr/share/ergo/basis/ano-3
/usr/share/ergo/basis/ano-4
/usr/share/ergo/basis/ano-5
/usr/share/ergo/basis/aug-cc-pCV5Z
/usr/share/ergo/basis/aug-cc-pCVDZ
/usr/share/ergo/basis/aug-cc-pCVQZ
/usr/share/ergo/basis/aug-cc-pCVTZ
/usr/share/ergo/basis/aug-cc-pCVTZ-CTOCD-uc
/usr/share/ergo/basis/aug-cc-pV5Z
/usr/share/ergo/basis/aug-cc-pV6Z
/usr/share/ergo/basis/aug-cc-pVDZ
/usr/share/ergo/basis/aug-cc-pVQZ
/usr/share/ergo/basis/aug-cc-pVTZ
/usr/share/ergo/basis/aug-cc-pVTZ-J
/usr/share/ergo/basis/aug-cc-pV_5+d_Z
/usr/share/ergo/basis/aug-cc-pV_6+d_Z
/usr/share/ergo/basis/aug-cc-pV_D+d_Z
/usr/share/ergo/basis/aug-cc-pV_Q+d_Z
/usr/share/ergo/basis/aug-cc-pV_T+d_Z
/usr/share/ergo/basis/aug-pV7Z
/usr/share/ergo/basis/cc-pCV5Z
/usr/share/ergo/basis/cc-pCVDZ
/usr/share/ergo/basis/cc-pCVQZ
/usr/share/ergo/basis/cc-pCVTZ
/usr/share/ergo/basis/cc-pV5Z
/usr/share/ergo/basis/cc-pV5Z-DK
/usr/share/ergo/basis/cc-pV5Zdenfit
/usr/share/ergo/basis/cc-pV6Z
/usr/share/ergo/basis/cc-pVDZ
/usr/share/ergo/basis/cc-pVDZ-DK
/usr/share/ergo/basis/cc-pVQZ
/usr/share/ergo/basis/cc-pVQZ-DK
/usr/share/ergo/basis/cc-pVQZdenfit
/usr/share/ergo/basis/cc-pVTZ
/usr/share/ergo/basis/cc-pVTZ-DK
/usr/share/ergo/basis/cc-pVTZdenfit
/usr/share/ergo/basis/cc-pV_5+d_Z
/usr/share/ergo/basis/cc-pV_6+d_Z
/usr/share/ergo/basis/cc-pV_D+d_Z
/usr/share/ergo/basis/cc-pV_Q+d_Z
/usr/share/ergo/basis/cc-pV_T+d_Z
/usr/share/ergo/basis/cc-pwCV5Z
/usr/share/ergo/basis/cc-pwCVDZ
/usr/share/ergo/basis/cc-pwCVQZ
/usr/share/ergo/basis/cc-pwCVTZ
/usr/share/ergo/basis/ecp-sdd-DZ
/usr/share/ergo/basis/ecp-sdd-pseudo
/usr/share/ergo/basis/hybrid-guess-basis
/usr/share/ergo/basis/japrtano
/usr/share/ergo/basis/pV6Z
/usr/share/ergo/basis/pV7Z
/usr/share/ergo/basis/raf-r
/usr/share/ergo/basis/sad-J
/usr/share/ergo/basis/sadlej
/usr/share/licenses/ergo
/usr/share/licenses/ergo/COPYING
/usr/share/licenses/ergo/ergo_license_long.txt

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Fabrice Bellet, Sat Apr 27 01:47:28 2024