Ubuntu
debichem package

debichem 0.0.12 source package in Ubuntu

Changelog

debichem (0.0.12) unstable; urgency=medium

  [ Michael Banck ]
  * tasks/semiempirical: Added mopac and xtb.
  * tasks/molecular-abinitio: Added openmolcas.
  * tasks/development: Added libdbcsr-dev and libbtas-dev.

  [ Andreas Tille ]
  * tasks/analytical-biochemistry: Added comet-ms

 -- Michael Banck <email address hidden>  Thu, 02 Feb 2023 10:39:05 +0100

Upload details

Uploaded by:
Debichem Team
Uploaded to:
Sid
Original maintainer:
Debichem Team
Architectures:
all
Section:
misc
Urgency:
Medium Urgency

See full publishing history Publishing

Series Pocket Published Component Section
Oracular release universe misc
Noble release universe misc
Mantic release universe misc
Lunar release universe misc

Builds

Lunar: [FULLYBUILT] amd64

Downloads

File Size SHA-256 Checksum
debichem_0.0.12.dsc 2.8 KiB 3884f8db182eaa7aed58beb31396f5ce8eb8341c872e5df92b50b7496bfcff1f
debichem_0.0.12.tar.xz 16.1 KiB a7c2fdf38a4666a9bd2a3b2f669bcd4cbefb6ea0e1a85baad4f6d382e7f9de00

Available diffs

No changes file available.

Binary packages built by this source

debichem-analytical-biochemistry: DebiChem Analytical BioChemistry

 This metapackage will install packages which enable you to:
 .
  - load and convert mass spectrometric data files;
  - edit biopolymer sequences;
  - elaborate complex mass spectrometry workflows;
  - perform protein database searches using tandem-ms data;
  - visualize and explore mass spectrometric data;
  - simulate isotopic clusters;
  - implement proteomics workflows.

debichem-cheminformatics: DebiChem Cheminformatics

 This metapackage will install cheminformatics packages
 useful for chemists.

debichem-crystallography: DebiChem crystallography

 This metapackage will install packages for crystallography which might be
 useful for chemists.

debichem-development: DebiChem C/C++/Fortran Development

 This metapackage will install development packages
 useful for chemists.

debichem-input-generation-output-processing: DebiChem input preparation and output processing

 This metapackage will install graphical frontends and input generators/output
 processors for computational chemistry packages which might be useful for
 chemists.

debichem-molecular-abinitio: DebiChem Molecular Ab Initio Calculations

 This metapackage will install packages doing molecular ab initio calculations
 which might be useful for chemists.

debichem-molecular-dynamics: DebiChem Molecular Dynamics

 This metapackage will install Molecular Dynamics packages
 which might be useful for chemists.

debichem-molecular-modelling: DebiChem 3D Molecular Modelling and Visualization

 This metapackage will install 3D Molecular Modelling and Visualization
 which might be useful for chemists.

debichem-periodic-abinitio: DebiChem Periodic Ab Initio Calculations

 This metapackage will install packages doing periodic ab initio calculations
 which might be useful for chemists.

debichem-semiempirical: DebiChem Semi Empirical

 This metapackage will install Semi Empirical
 which might be useful for chemists.

debichem-tasks: DebiChem tasks for tasksel

 This package provides DebiChem tasks in tasksel.
 .
 These tasks are described in detail at
 http://blends.alioth.debian.org/debichem/tasks/

debichem-view-edit-2d: DebiChem chemical formular/structure editors

 This metapackage will install drawers for chemical structures which might be
 useful for chemists.

debichem-visualisation: DebiChem 3D Viewers

 This metapackage will install 3D Viewers which might be useful for chemists.