ergo-3.7-1.fc28.i686.rpm


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Description

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

Property Value
Distribution Fedora 28
Repository Fedora Updates i386
Package name ergo
Package version 3.7
Package release 1.fc28
Package architecture i686
Package type rpm
Installed size 9.77 MB
Download size 1.64 MB
Official Mirror download-ib01.fedoraproject.org
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-3.7-1.fc28.x86_64.rpm 3.7 x86_64 Fedora Updates
ergo-3.4-6.fc27.x86_64.rpm 3.4 x86_64 Fedora
ergo-3.4-6.fc27.i686.rpm 3.4 i686 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 = 3.7-1.fc28
ergo(x86-32) = 3.7-1.fc28

Download

Type URL
Binary Package ergo-3.7-1.fc28.i686.rpm
Source Package ergo-3.7-1.fc28.src.rpm

Install Howto

Install ergo rpm package:

# dnf install ergo

Files

Path
/usr/bin/ergo
/usr/lib/.build-id/
/usr/lib/.build-id/95/9c46c7d2eb9101dfdb190c23d79e3975153e78
/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

2018-07-10 - 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
2016-02-03 - Fedora Release Engineering <releng@fedoraproject.org> - 3.4-2
- Rebuilt for https://fedoraproject.org/wiki/Fedora_24_Mass_Rebuild
2015-09-21 - Susi Lehtola <jussilehtola@fedoraproject.org> - 3.4-1
- Update to 3.4.

See Also

Package Description
ergo-doc-3.7-1.fc28.noarch.rpm Documentation for ergo
erlang-20.3.8.20-1.fc28.i686.rpm General-purpose programming language and runtime environment
erlang-asn1-20.3.8.20-1.fc28.i686.rpm Provides support for Abstract Syntax Notation One
erlang-cache_tab-1.0.13-1.fc28.i686.rpm Erlang cache table application
erlang-cl-1.2.4-1.fc28.i686.rpm OpenCL binding for Erlang
erlang-common_test-20.3.8.20-1.fc28.i686.rpm A portable framework for automatic testing
erlang-compiler-20.3.8.20-1.fc28.i686.rpm A byte code compiler for Erlang which produces highly compact code
erlang-cosEvent-20.3.8.20-1.fc28.i686.rpm Orber OMG Event Service
erlang-cosEventDomain-20.3.8.20-1.fc28.i686.rpm Orber OMG Event Domain Service
erlang-cosFileTransfer-20.3.8.20-1.fc28.i686.rpm Orber OMG File Transfer Service
erlang-cosNotification-20.3.8.20-1.fc28.i686.rpm Orber OMG Notification Service
erlang-cosProperty-20.3.8.20-1.fc28.i686.rpm Orber OMG Property Service
erlang-cosTime-20.3.8.20-1.fc28.i686.rpm Orber OMG Timer and TimerEvent Service
erlang-cosTransactions-20.3.8.20-1.fc28.i686.rpm Orber OMG Transaction Service
erlang-crypto-20.3.8.20-1.fc28.i686.rpm Cryptographical support
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