mpqc binary package in Ubuntu Noble arm64

 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).

Publishing history

Date Status Target Pocket Component Section Priority Phased updates Version
  2024-04-04 09:39:05 UTC Published Ubuntu Noble arm64 release universe science Optional 2.3.1-22build2
  • Published
  • Copied from ubuntu noble-proposed arm64 in Primary Archive for Ubuntu
  Deleted Ubuntu Noble arm64 proposed universe science Optional 2.3.1-22build2
  • Removal requested .
  • Deleted by Ubuntu Archive Auto-Sync

    Moved to noble

  • Published
  Deleted Ubuntu Noble arm64 updates universe science Optional 2.3.1-22
  • Removal requested .
  • Deleted by Brian Murray

    superseded by release

  • Published
  • Copied from ubuntu lunar-proposed arm64 in Primary Archive for Ubuntu
  2024-04-04 09:40:22 UTC Superseded Ubuntu Noble arm64 release universe science Optional 2.3.1-22build1
  • Removed from disk .
  • Removal requested .
  • Superseded by arm64 build of mpqc 2.3.1-22build2 in ubuntu noble PROPOSED
  • Published
  • Copied from ubuntu noble-proposed arm64 in Primary Archive for Ubuntu
  2024-04-05 12:10:17 UTC Deleted Ubuntu Noble arm64 proposed universe science Optional 2.3.1-22build1
  • Removed from disk .
  • Removal requested .
  • Deleted by Ubuntu Archive Auto-Sync

    Moved to noble

  • Published
  2024-03-29 03:56:46 UTC Superseded Ubuntu Noble arm64 release universe science Optional 2.3.1-22
  • Removal requested .
  • Superseded by arm64 build of mpqc 2.3.1-22build1 in ubuntu noble PROPOSED
  • Published
  • Copied from ubuntu lunar-proposed arm64 in Primary Archive for Ubuntu

Source package