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 Thu, 02 Feb 2023 10:39:05 +0100 debichem (0.0.11) unstable; urgency=medium * Team upload. [ Andreas Tille ] * DEP5 copyright [ Filippo Rusconi ] * tasks/analytical-biochemistry: Added minexpert2, xtpcpp, toppic as Depends, and libpwizlite-dev and libisospec++-dev as Suggests. * tasks/analytical-biochemistry: Update description. [ Michael Banck ] * tasks/cheminformatics: Added libopenchemlib-java. * tasks/development: Added libopenmm-dev and libsymspg-dev. * tasks/input-generation-output-processing: Addedd c2x and python3-pycifrw. * tasks/molecular-modelling: Added mmb and openstructure. * tasks/periodic-abinitio: Added wannier90. -- Michael Banck Sun, 07 Feb 2021 23:42:29 +0100 debichem (0.0.10) unstable; urgency=medium * Team upload. * Remove final Python 2 module packages (Closes: #945634). -- Stuart Prescott Sun, 12 Jan 2020 23:59:53 +1100 debichem (0.0.9) unstable; urgency=medium * Team Upload. [ Graham Inggs ] * tasks/input-generation-output-processing: python-ase is now ase * tasks/input-generation-output-processing: remove p4vasp, see #937227 * tasks/visualisation: ditto [ Stuart Prescott ] * Remove dependency on libblacs-mpi-dev (Closes: #878019). * Stop mentioning removed packages (Closes: #891804). * Update Standards-Version to 4.4.1 (no changes required). * Add Rules-Requires-Root: no. * Switch to debhelper-compat (= 12). -- Stuart Prescott Fri, 10 Jan 2020 00:48:52 +1100 debichem (0.0.8) unstable; urgency=medium * Depends: ${misc:Depends} for debichem-tasks * lintian-override for false positive * Re-render tasks with Buster release state -- Andreas Tille Thu, 13 Jun 2019 09:16:07 +0200 debichem (0.0.7) unstable; urgency=medium * Moved from Alioth to Salsa * Standards-Version: 4.3.0 * Priority: optional -- Andreas Tille Mon, 14 Jan 2019 19:49:32 +0100 debichem (0.0.6) unstable; urgency=medium [ Michael Banck ] * tasks/modelling: Added ballview. * tasks/visualization: Removed travis. * tasks/view-edit-2d: Update task title and description. * tasks/abinitio: Split up to ... * tasks/molecular-abinitio: ... this and ... * tasks/periodic-abinitio: ... this. * tasks/molmech: Renamed to ... * tasks/molecular-dynamics: ... this. * tasks/molecular-dynamics: Removed ghemical, avogadro and vmd, added dl-poly-classic, cp2k and nwchem. * tasks/polymer: Renamed to ... * tasks/analytical-biochemistry: ... this. * tasks/input-generation-output-processing: New task. * tasks/development: New task. * tasks/molecular-abinitio, tasks/molecular-dynamics, tasks/periodic-abinitio: Update task title and description. * tasks/molecular-abinitio: Added bagel. * tasks/molecular-abinitio: Replaced libchemps2 with chemps2. * tasks/periodic-abinitio: Added gpaw. * tasks/molecular-abinitio: Added mpqc3. * tasks/development: Added libga-dev. * tasks/modelling: Renamed to ... * tasks/molecular-modelling: ... this. [ Andreas Tille ] * rebuild using blends-dev 0.6.95 * source/format: 3.0 (native) * Bump Standards-Version and debhelper compat level -- Michael Banck Tue, 24 Jan 2017 22:33:29 +0100 debichem (0.0.5) unstable; urgency=medium * debian/source/format: Removed. -- Michael Banck Mon, 08 Dec 2014 20:53:53 +0100 debichem (0.0.4) unstable; urgency=medium [ Michael Banck ] * tasks/abinitio: Added psi4. * tasks/crystallography: New task, including shelxle and xcrysden. * tasks/visualisation: Moved gcrystal to ... * tasks/crystallography: ... this. * tasks/crystallography: Added python-fabio. * tasks/molmech: Added lammps. * tasks/semiempirical: Added molds. * tasks/abinitio: Added elk-lapw. * tasks/abinitio: Added ergo. * tasks/visualisation, tasks/crystallography: Added gamgi. * tasks/visualisation: Added p4vasp. * tasks/visualisation: Added travis. * tasks/molmech: Added votca-csg. * tasks/polymer: Changed r-cran-mixtools and r-other-amsmercury Suggests to Depends. * tasks/polymer: Added r-other-iwrlars. [ Daniel Leidert ] * tasks/crystallography: Added drawxtl. [ Andreas Tille ] * d/source/format: 3.0 (native) -- Michael Banck Fri, 05 Dec 2014 16:45:37 +0100 debichem (0.0.3) unstable; urgency=low [ Michael Banck ] * tasks/visualisation: Added jmol and qutemol. * tasks/visualisation: Added cclib. * tasks/semiempirical: Added cp2k. * tasks/cheminformatics: Added python-indigo. * tasks/visualization: Added shelxle, xcrysden and drawxtl. * tasks/cheminformatics: Added python-fmcs, python-chemfp and libopsin-java. * tasks/visualization: Added gamgi. * tasks/molmech, tasks/visualization, tasks/cheminformatics: Removed some citation data which is already present in the respective debian/upstream files. * tasks/visualization: Added ballview, raster3d and kalzium. [ Daniel Leidert ] * debian/control.stub (Standards-Version): Bumped to 3.9.3. (Vcs-Browser): Adjusted. -- Michael Banck Sun, 24 Feb 2013 16:30:10 +0100 debichem (0.0.2) unstable; urgency=low [ Andreas Tille ] * tasks/modelling: Added python-mmtk and nmoldyn. * tasks/visualisation: Added publication info to rasmol. * tasks/view-edit-2d: Added osra as prospective package. [ Michael Banck ] * tasks/abinitio: Added nwchem, aces3, cp2k and quantum-espresso. * Added and/or updated publication/registration info for adun.app, gromacs, massxpert, mmass, gabedit, rasmol, psi3, abinit, nwchem, aces3 and quantum-espresso. * tasks/cheminformatics: New task. * debian/control: Updated. -- Michael Banck Tue, 01 Nov 2011 23:53:00 +0100 debichem (0.0.1) unstable; urgency=low * Initial release. (Closes: #589042) -- Andreas Tille Mon, 19 Jul 2010 22:44:13 +0200