Ubuntu
bagel package

bagel 0.0~git20150902-1ubuntu2 source package in Ubuntu

Changelog

bagel (0.0~git20150902-1ubuntu2) xenial; urgency=medium

  * Disable parallel builds; still doesn't build on arm64 and ppc64el.

 -- Matthias Klose <email address hidden>  Mon, 08 Feb 2016 20:19:24 +0100

Upload details

Uploaded by:
Matthias Klose
Uploaded to:
Xenial
Original maintainer:
Debichem Team
Architectures:
any all
Section:
misc
Urgency:
Medium Urgency

See full publishing history Publishing

Series Pocket Published Component Section
Xenial release universe misc

Downloads

File Size SHA-256 Checksum
bagel_0.0~git20150902.orig.tar.gz 21.9 MiB f05f2846727e0c214f73684ccc2e19252046a9804d006c283b30959fbf083197
bagel_0.0~git20150902-1ubuntu2.debian.tar.xz 5.9 KiB 1f30025ee757894072a2bc729fbf0bc6c3685cb8341405d3b872df7064b76a7e
bagel_0.0~git20150902-1ubuntu2.dsc 2.1 KiB 3a7ac3ce6ea83a90f23b13833687f65b12b2b5158a7b00f6b3977069227f63c4

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Binary packages built by this source

bagel: Computational Chemistry Package

 BAGEL (Brilliantly Advanced General Electronic-structure Library) is a
 computational chemistry package aimed at large-scale parallel
 computations. It specializes on highgly accurate methods and includes
 density-fitting and relativistic effects for most of the methods it
 implements.
 .
 It can compute energies and gradients for the following methods:
  * Hartree-Fock (HF)
  * Density-Functional Theory (DFT)
  * Second-order Moeller-Plesset perturbation theory (MP2)
  * Complete active space SCF (CASSCF)
  * Complete active space second order perturbation theory (CASPT2)
 .
 Additionally, it can compute energies for the following methods:
  * Mult-state internally contracted multireference configuration-interaction
    (ic-MRCI)
  * N-electron valence-state second order perturbation theory (NEVPT2)
  * Active-space decomposition (ASD) for dimers and for multiple sites via
    density matrix renormalization group (ASD-DMRG)
 .
 BAGEL does not include a disk interface, so computations need to fit in
 memory.

bagel-data: Computational Chemistry Package (data files)

 BAGEL (Brilliantly Advanced General Electronic-structure Library) is a
 computational chemistry package aimed at large-scale parallel
 computations. It specializes on highgly accurate methods and includes
 density-fitting and relativistic effects for most of the methods it
 implements.
 .
 This package contains the basis sets.

bagel-dbgsym: No summary available for bagel-dbgsym in ubuntu yakkety.

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