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mpqc package

mpqc 2.3.1-22build2 source package in Ubuntu

Changelog

mpqc (2.3.1-22build2) noble; urgency=medium

  * No-change rebuild for CVE-2024-3094

 -- Steve Langasek <email address hidden>  Sun, 31 Mar 2024 02:36:42 +0000

Upload details

Uploaded by:
Steve Langasek
Uploaded to:
Noble
Original maintainer:
Ubuntu Developers
Architectures:
any all
Section:
science
Urgency:
Medium Urgency

See full publishing history Publishing

Series Pocket Published Component Section
Oracular release universe science
Noble release universe science

Downloads

File Size SHA-256 Checksum
mpqc_2.3.1.orig.tar.gz 3.4 MiB 94df3ed53069db977f97cac9334bed32ac8eaf26ee187a1e89b8a037ce51f5d2
mpqc_2.3.1-22build2.debian.tar.xz 31.4 KiB c73029e8364b163d180ab7465fa619fb296fea703292f599bab09c7624870df5
mpqc_2.3.1-22build2.dsc 2.3 KiB 116837fdb215f174bac9825ba7d46b1484956d7c55dd5070a348004429be1fbc

Available diffs

View changes file

Binary packages built by this source

libsc-data: Scientific Computing Toolkit (basis set and atom data)

 The Scientific Computing toolkit (SC) provides C++ class libraries for
 scientific computation. Included are classes for managing memory, saving and
 restoring the state of objects, reading objects from an input file, parallel
 communication, matrix algebra, among others.
 .
 Class libraries supporting quantum chemistry applications are provided with
 this distribution of SC.
 .
 This package includes the basis set and atom data.

libsc-dev: Scientific Computing Toolkit (development files)

 The Scientific Computing toolkit (SC) provides C++ class libraries for
 scientific computation. Included are classes for managing memory, saving and
 restoring the state of objects, reading objects from an input file, parallel
 communication, matrix algebra, among others.
 .
 Class libraries supporting quantum chemistry applications are provided with
 this distribution of SC.
 .
 This package includes the static libraries and header files.

libsc-dev-dbgsym: debug symbols for libsc-dev
libsc-doc: Scientific Computing Toolkit (documentation)

 The Scientific Computing toolkit (SC) provides C++ class libraries for
 scientific computation. Included are classes for managing memory, saving and
 restoring the state of objects, reading objects from an input file, parallel
 communication, matrix algebra, among others.
 .
 This package includes the HTML-documentation and the manpages of the classes.

libsc7v5: Scientific Computing Toolkit (library)

 The Scientific Computing toolkit (SC) provides C++ class libraries for
 scientific computation. Included are classes for managing memory, saving and
 restoring the state of objects, reading objects from an input file, parallel
 communication, matrix algebra, among others.
 .
 Class libraries supporting quantum chemistry applications are provided with
 this distribution of SC.
 .
 This package includes the shared libraries.

libsc7v5-dbgsym: debug symbols for libsc7v5
mpqc: Massively Parallel Quantum Chemistry Program

 MPQC is an ab-inito quantum chemistry program. It is especially designed
 to compute molecules in a highly parallelized fashion.
 .
 It can compute energies and gradients for the following methods:
  * Closed shell and general restricted open shell Hartree-Fock (HF)
  * Density Functional Theory (DFT)
  * Closed shell second-order Moeller-Plesset perturbation theory (MP2)
 .
 Additionally, it can compute energies for the following methods:
  * Open shell MP2 and closed shell explicitly correlated MP2 theory (MP2-R12)
  * Second order open shell pertubation theory (OPT2[2])
  * Z-averaged pertubation theory (ZAPT2)
 .
 It also includes an internal coordinate geometry optimizer.
 .
 MPQC is built upon the Scientific Computing Toolkit (SC).

mpqc-dbgsym: debug symbols for mpqc
mpqc-support: Massively Parallel Quantum Chemistry Program (support tools)

 MPQC is an ab-inito quantum chemistry program. It is especially designed
 to compute molecules in a highly parallelized fashion.
 .
 This package includes Perl modules to parse the output, Emacs-modes to
 facilitate editing mpqc files and molrender, a program to output the
 molecules in OOGL-format.

mpqc-support-dbgsym: debug symbols for mpqc-support