openmolcas 19.11-5 source package in Ubuntu


openmolcas (19.11-5) unstable; urgency=medium

  * Reuploading from the git repository, the 19.11-4 source package in the
    Debian archive has additional changes which makes it FTFBS, Closes:

 -- Michael Banck <email address hidden>  Mon, 18 May 2020 22:01:21 +0200

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Uploaded by:
Debichem Team on 2020-05-19
Uploaded to:
Original maintainer:
Debichem Team
any all
Medium Urgency

See full publishing history Publishing

Series Pocket Published Component Section
Impish release on 2021-04-23 universe misc
Hirsute release on 2020-10-23 universe misc
Groovy release on 2020-05-19 universe misc


File Size SHA-256 Checksum
openmolcas_19.11-5.dsc 2.2 KiB 63e03e435255eab042da99f837ca8ade9f4bb1823bb861634f7cd69935d6fd39
openmolcas_19.11.orig.tar.gz 40.0 MiB 994f91eee58acb52c520e43ecbc3be07e4a518bb7142d3e38fdb406174e8e811
openmolcas_19.11-5.debian.tar.xz 32.6 KiB de052aa3c07c68e066d63b251659142792aa1b18701aae27415146265c899283

No changes file available.

Binary packages built by this source

openmolcas: Quantum chemistry software package

 The key feature of OpenMolcas is the multiconfigurational approach to the
 electronic structure.
 It can compute energies, gradients and hessians for the following methods:
  * Hartree-Fock SCF (HF)
  * Complete active space SCF (CASSCF)
 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 and restricted active space SCF (CASSCF/RASSCF)
 Additionally, it can compute energies for the following methods:
  * Closed shell Moeller-Plesset perturbation theory (MP2)
  * Complete active space second order perturbation theory (CASPT2)
  * Coupled-cluster singles doubles (CCSD), optionally wihth
    Cholesky-Decomposition (CD)/Resolution-of-the Identity (RI)
  * CD/RI Coupled-cluster singles doubles with perturbative
    triples (CCSD(T))
  * Density Matrix Renormalization Group SCF (DMRG-SCF)

openmolcas-data: Quantum chemistry software package (data files)

 The key feature of OpenMolcas is the multiconfigurational approach to the
 electronic structure.
 This package contains data files.

openmolcas-dbgsym: debug symbols for openmolcas