ergo-3.7-2.fc29.i686.rpm


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Description

ergo - A program for large-scale self-consistent field calculations

Property Value
Distribution Fedora 29
Repository Fedora i386
Package filename ergo-3.7-2.fc29.i686.rpm
Package name ergo
Package version 3.7
Package release 2.fc29
Package architecture i686
Package type rpm
Category Applications/Engineering
Homepage http://www.ergoscf.org
License GPLv3+
Maintainer -
Download size 1.71 MB
Installed size 9.95 MB
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.

Alternatives

Package Version Architecture Repository
ergo-3.7-2.fc29.x86_64.rpm 3.7 x86_64 Fedora
ergo - - -

Requires

Name Value
libc.so.6(GLIBC_2.7) -
libgcc_s.so.1 -
libgcc_s.so.1(GCC_3.0) -
libgomp.so.1 -
libgomp.so.1(GOMP_1.0) -
libgomp.so.1(GOMP_4.0) -
libgomp.so.1(OMP_1.0) -
libm.so.6 -
libm.so.6(GLIBC_2.0) -
libm.so.6(GLIBC_2.1) -
libm.so.6(GLIBC_2.27) -
libpthread.so.0 -
libpthread.so.0(GLIBC_2.0) -
libpthread.so.0(GLIBC_2.1) -
libpthread.so.0(GLIBC_2.3.2) -
libsatlas.so.3 -
libstdc++.so.6 -
libstdc++.so.6(CXXABI_1.3) -
libstdc++.so.6(CXXABI_1.3.8) -
libstdc++.so.6(CXXABI_1.3.9) -
libstdc++.so.6(GLIBCXX_3.4) -
libstdc++.so.6(GLIBCXX_3.4.11) -
libstdc++.so.6(GLIBCXX_3.4.15) -
libstdc++.so.6(GLIBCXX_3.4.20) -
libstdc++.so.6(GLIBCXX_3.4.21) -
libstdc++.so.6(GLIBCXX_3.4.9) -
rtld(GNU_HASH) -

Provides

Name Value
ergo = 3.7-2.fc29
ergo(x86-32) = 3.7-2.fc29

Download

Type URL
Mirror download-ib01.fedoraproject.org
Binary Package ergo-3.7-2.fc29.i686.rpm
Source Package ergo-3.7-2.fc29.src.rpm

Install Howto

Install ergo rpm package:

# dnf --refresh install ergo

Files

Path
/usr/bin/ergo
/usr/lib/.build-id/
/usr/lib/.build-id/e5/3dd01ba876a9700f80fe2ab8c933f490c4e407
/usr/share/doc/ergo/README
/usr/share/doc/ergo/ergo_release_notes_3_7.txt
/usr/share/ergo/
/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++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-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-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-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-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-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-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/COPYING
/usr/share/licenses/ergo/ergo_license_long.txt

Changelog

2018-07-12 - Fedora Release Engineering <releng@fedoraproject.org> - 3.7-2
- Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild
2018-07-10 - Susi Lehtola <jussilehtola@fedoraproject.org> - 3.7-1
- Update to 3.7, trying to fix issues.
2018-06-23 - Susi Lehtola <jussilehtola@fedoraproject.org> - 3.6-2
- Fix FTBFS.
2018-02-28 - Susi Lehtola <jussilehtola@fedoraproject.org> - 3.6-1
- Added gcc-c++ buildrequires.
- Update to 3.6.
2018-02-07 - Fedora Release Engineering <releng@fedoraproject.org> - 3.4-7
- Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild
2017-08-02 - Fedora Release Engineering <releng@fedoraproject.org> - 3.4-6
- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild
2017-07-26 - Fedora Release Engineering <releng@fedoraproject.org> - 3.4-5
- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild
2017-05-15 - Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 3.4-4
- Rebuilt for https://fedoraproject.org/wiki/Fedora_26_27_Mass_Rebuild
2017-02-10 - Fedora Release Engineering <releng@fedoraproject.org> - 3.4-3
- Rebuilt for https://fedoraproject.org/wiki/Fedora_26_Mass_Rebuild

See Also

Package Description
ergo-doc-3.7-2.fc29.noarch.rpm Documentation for ergo
eric-18.08-1.fc29.noarch.rpm Python IDE
eris-1.3.23-14.fc29.i686.rpm Client-side session layer for Atlas-C++
eris-devel-1.3.23-14.fc29.i686.rpm Development files for Eris
erlang-20.3.8.9-2.fc29.i686.rpm General-purpose programming language and runtime environment
erlang-amf-0-0.19.20110224gitb36dfb6.fc29.i686.rpm Erlang Action Message Format Library
erlang-asn1-20.3.8.9-2.fc29.i686.rpm Provides support for Abstract Syntax Notation One
erlang-base64url-1.0-4.fc29.noarch.rpm URL safe base64-compatible codec
erlang-basho_metrics-1.0.0-36.fc29.i686.rpm Fast performance metrics for Erlang
erlang-basho_stats-1.0.4-6.fc29.i686.rpm Basic Erlang statistics library
erlang-bbmustache-1.6.0-1.fc29.noarch.rpm Binary pattern match-based Mustache template engine for Erlang
erlang-bear-0.8.7-1.fc29.noarch.rpm A set of statistics functions for erlang
erlang-bitcask-2.0.8-7.fc29.i686.rpm Eric Brewer-inspired key/value store
erlang-cache_tab-1.0.14-2.fc29.i686.rpm Erlang cache table application
erlang-chronos-0.5.1-3.fc29.i686.rpm Timer utility for Erlang tests
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