corner image corner image corner image corner image Debian NEW package overview for ergo
ergo_3.7-1_amd64.changes (click to toggle)
Format:1.8
Date:Tue, 07 May 2019 01:43:33 -0400
Source:ergo
Binary:ergo ergo-data ergo-dbgsym
Architecture:source all amd64
Version:3.7-1
Distribution:unstable
Urgency:medium
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Changed-By:Andrius Merkys <merkys@debian.org>
Description:
ergo       - Quantum chemistry program for large-scale calculations
ergo-data  - Quantum chemistry program for large-scale calculations - data pac
Changes:
ergo (3.7-1) unstable; urgency=medium

  * Team upload.
  * New upstream release.
  * Bumping debhelper compatibility version.
  * Removing '--with autotools_dev' (default in dh now),
    removing superseded build-depends on autotools-dev.
  * Updating debian/copyright.
  * Moving debian/upstream -> debian/upstream/metadata.
  * Splitting off the data package.
Files:
6269f1482e533db1a5ff48a4de9e4dd1 1960 science optional ergo_3.7-1.dsc
74118f797e2ec31a0e3fbd95f2705941 3426095 science optional ergo_3.7.orig.tar.gz
9efe58b73b0b8857be74e4a141260c22 3456 science optional ergo_3.7-1.debian.tar.xz
2a7f6e90739973c8905ae2b9da670916 556804 science optional ergo-data_3.7-1_all.deb
f8e424d7df8a199749413d500f6ef0f5 7297148 debug optional ergo-dbgsym_3.7-1_amd64.deb
33268a33e94b6d2b5540d8c27238615a 6201 science optional ergo_3.7-1_amd64.buildinfo
5a4fb385b8584547a5d5603df0d15486 820084 science optional ergo_3.7-1_amd64.deb
control file for ergo-data_3.7-1_all.deb (click to toggle)
Package:ergo-data
Source:ergo
Version:3.7-1
Architecture:all
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size:7210
Breaks:ergo (<< 3.7)
Replaces:ergo (<< 3.7)
Section:science
Priority:optional
Homepage:http://ergoscf.org/
Description:
Quantum chemistry program for large-scale calculations - data package
 ErgoSCF is a quantum chemistry program for large-scale self-consistent field
 calculations.  It 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.  It uses Gaussian basis sets.
 .
 It can compute single-point energies for the following methods:
  * Restricted and unrestricted Hartree-Fock (HF) theory
  * Restricted and unrestricted Kohn-Sham density functional theory (DFT)
  * Full Configuration-Interaction (FCI)
 .
 The following Exchange-Correlational (XC) density functionals are included:
  * Local Density Approximation (LDA)
  * Gradient-corrected (GGA) XC functionals BLYP, BP86, PW91 and PBE
  * Hybrid XC functionals B3LYP, BHandHLYP, PBE0 and CAMB3LYP
 .
 Further features include:
  * Linear response calculations (polarizabilities and excitation energies) for
    restricted reference densities
  * External electric fields
  * Electron dynamics via Time-Dependent Hartree-Fock (TDHF)
 .
 This package contains data for ergo.
lintian 2.12.0~bpo9+1 check for ergo-data_3.7-1_all.deb (click to toggle)
contents of ergo-data_3.7-1_all.deb (click to toggle)
drwxr-xr-x root/root         0 2019-05-07 05:43 ./
drwxr-xr-x root/root         0 2019-05-07 05:43 ./usr/
drwxr-xr-x root/root         0 2019-05-07 05:43 ./usr/share/
drwxr-xr-x root/root         0 2019-05-07 05:43 ./usr/share/doc/
drwxr-xr-x root/root         0 2019-05-07 05:43 ./usr/share/doc/ergo-data/
-rw-r--r-- root/root      1056 2019-05-07 05:43 ./usr/share/doc/ergo-data/changelog.Debian.gz
-rw-r--r-- root/root       211 2018-07-10 08:52 ./usr/share/doc/ergo-data/changelog.gz
-rw-r--r-- root/root      1088 2019-05-07 05:43 ./usr/share/doc/ergo-data/copyright
drwxr-xr-x root/root         0 2019-05-07 05:43 ./usr/share/ergo/
drwxr-xr-x root/root         0 2019-05-07 05:43 ./usr/share/ergo/basis/
-rw-r--r-- root/root     20109 2019-05-07 05:43 ./usr/share/ergo/basis/3-21++G
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-rw-r--r-- root/root     10810 2019-05-07 05:43 ./usr/share/ergo/basis/4-31G
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-rw-r--r-- root/root     65122 2019-05-07 05:43 ./usr/share/ergo/basis/ecp-sdd-pseudo
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control file for ergo-dbgsym_3.7-1_amd64.deb (click to toggle)
Package:ergo-dbgsym
Source:ergo
Version:3.7-1
Auto-Built-Package:debug-symbols
Architecture:amd64
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size:7567
Depends:ergo (=3.7-1)
Section:debug
Priority:optional
Description:
debug symbols for ergo
Build-Ids:172dc80b18de1179bd6e4bc866532f6c75469eb4
lintian 2.12.0~bpo9+1 check for ergo-dbgsym_3.7-1_amd64.deb (click to toggle)
contents of ergo-dbgsym_3.7-1_amd64.deb (click to toggle)
drwxr-xr-x root/root         0 2019-05-07 05:43 ./
drwxr-xr-x root/root         0 2019-05-07 05:43 ./usr/
drwxr-xr-x root/root         0 2019-05-07 05:43 ./usr/lib/
drwxr-xr-x root/root         0 2019-05-07 05:43 ./usr/lib/debug/
drwxr-xr-x root/root         0 2019-05-07 05:43 ./usr/lib/debug/.build-id/
drwxr-xr-x root/root         0 2019-05-07 05:43 ./usr/lib/debug/.build-id/17/
-rw-r--r-- root/root   7737464 2019-05-07 05:43 ./usr/lib/debug/.build-id/17/2dc80b18de1179bd6e4bc866532f6c75469eb4.debug
drwxr-xr-x root/root         0 2019-05-07 05:43 ./usr/share/
drwxr-xr-x root/root         0 2019-05-07 05:43 ./usr/share/doc/
lrwxrwxrwx root/root         0 2019-05-07 05:43 ./usr/share/doc/ergo-dbgsym -> ergo

Timestamp: 07.05.2019 / 08:12:43 (UTC)