DebiChem Project
Summary
A Debian Pure Blend is a Debian internal project which assembles a set of packages that might help users to solve certain tasks of their work. The list on the right shows the tasks of debichem.
Links Color legend
Up to date
Debian stable behind unstable
Ubuntu behind Debian unstable
Waiting in NEW
Not packaged
Obsolete
Upstream behind unstable
Unstable fits upstream
Unstable behind upstream

DebiChem Package Thermometer

Package stabletestingunstablestable-bpoexperimentalNEWUNRELEASEDupstreamtasks
abinit (PTS, VCS, UP) 8.0.8-18.8.4-18.10.1periodic-abinitio
aces3 (PTS, VCS, UP) 3.0.8-5.13.0.8-5.13.0.8-5.13.0.7molecular-abinitio
adun.app (PTS, VCS, UP) 0.81-90.81-110.81-110.No-Sitevisualisation molecular-dynamics
avogadro (PTS, VCS, UP) 1.2.0-1+deb9u11.2.0-41.2.0-41.2.0input-generation-output-processing molecular-modelling visualisation
bagel (PTS, VCS, UP) 0.0~git20170109-11.1.1-21.1.2-11.1.2molecular-abinitio
ball (PTS, VCS, UP) 1.4.3~beta1-31.4.3~beta1-41.4.3~beta1input-generation-output-processing visualisation molecular-modelling
biceps (VCS, UP) 0.0.201401-1analytical-biochemistry
bkchem (PTS, VCS, UP) 0.13.0-50.13.0-60.13.0-60.13.0view-edit-2d
blacs-mpi (PTS, VCS, UP) 1.1-38development
cclib (PTS, VCS, UP) 1.3.1-11.3.1-11.5.3-11.6visualisation input-generation-output-processing
cdk (PTS, VCS, UP) 1.2.10-61.2.10-71.2.10-71.4.19cheminformatics
chemfp (PTS, VCS, UP) 1.1p1-2.11.1p1-2.1cheminformatics
chemps2 (PTS, VCS, UP) 1.8.3-21.8.8-11.8.8-11.8.8molecular-abinitio
chemtool (PTS, VCS, UP) 1.6.14-11.6.14-21.6.14-21.6.14view-edit-2d
cinfony (PTS, VCS, UP) 1.2-11.2-11.2-1cheminformatics
cp2k (PTS, VCS, UP) 4.1-15.1-45.1-46.1molecular-abinitio periodic-abinitio molecular-dynamics semiempirical
drawxtl (PTS, VCS, UP) 5.5-35.5-35.5-35.5visualisation crystallography
easychem (PTS, VCS, UP) 0.6-80.6-80.6-80.6view-edit-2d
elkcode (PTS, VCS, UP) 4.0.15-24.0.15-24.0.15-25.2.14molecular-abinitio
elpa (PTS, VCS, UP) 2016.05.001-42016.05.001-62016.05.001-62018.05.001.rc1development
ergo (PTS, VCS, UP) 3.5-13.5-13.5-13.7molecular-abinitio
espresso (PTS, VCS, UP) 6.0-36.0-3.16.3-36.3periodic-abinitio
fftw3 (PTS, VCS, UP) 3.3.5-33.3.8-23.3.8-23.3.8development
fmcs (PTS, VCS, UP) 1.0-11.0-1cheminformatics
gabedit (PTS, VCS, UP) 2.4.8-32.4.8-32.4.8-32.5.0visualisation input-generation-output-processing
galib (PTS, VCS, UP) 2.4.7-42.4.7-42.4.7-42.4.7development
gamgi (PTS, VCS, UP) 0.17.1-10.17.3-10.17.3-10.17.3visualisation crystallography
garlic (PTS, VCS, UP) 1.6-1.11.6-21.6-2visualisation
gausssum (PTS, VCS, UP) 3.0.1.1-13.0.2-13.0.2-13.0.2visualisation input-generation-output-processing
gdis (PTS, VCS, UP) 0.90-50.90-50.90-5visualisation
gdpc (PTS, VCS, UP) 2.2.5-62.2.5-82.2.5-8visualisation
ghemical (PTS, VCS, UP) 3.0.0-23.0.0-33.0.0-33.0.0molecular-modelling
gnome-chemistry-utils (PTS, VCS, UP) 0.14.15-10.14.17-10.14.17view-edit-2d crystallography
gpaw (PTS, VCS, UP) 1.1.0-11.4.0-21.4.0-21.4.0periodic-abinitio
gromacs (PTS, VCS, UP) 2016.1-22018.3-12018.3-12018.3molecular-dynamics
indigo (PTS, VCS, UP) 1.1.12-21.1.12-21.1.12cheminformatics
jmol (PTS, VCS, UP) 14.6.4+2016.11.05+dfsg1-314.6.4+2016.11.05+dfsg1-3.114.6.4+2016.11.05+dfsg1-3.114.28.4visualisation input-generation-output-processing
kalzium (PTS, VCS, UP) 16.08.3-117.08.3-117.08.3-118.08.2visualisation
lammps (PTS, VCS, UP) 0~20161109.git9806da6-70~20180822.gitb47e49223+dfsg1-20~20180822.gitb47e49223+dfsg1-20~20180822.gitb47e49223+dfsg1-2~bpo9+1molecular-dynamics
lapack (PTS, VCS, UP) 3.7.0-23.8.0-13.8.0-13.8.0development
libint (PTS, VCS, UP) 1.1.6-21.2.1-21.2.1-21.2.1development
libint2 (PTS, VCS, UP) 2.3.0~beta3-22.3.0~beta3-22.3.0~beta3-22.0.3development
libpwiz (PTS, VCS, UP) 3.0.9393-13.0.10827-43.0.10827-4analytical-biochemistry
libxc (PTS, VCS, UP) 3.0.0-13.0.0-23.0.0-2development
lutefisk (PTS, VCS, UP) 1.0.7+dfsg-41.0.7+dfsg-41.0.7+dfsg-41.0.7analytical-biochemistry
madness (PTS, VCS, UP) 0.10.1~gite4aa500e-100.10.1~gite4aa500e-10.10.10.1~gite4aa500e-10.10.10development
massxpert (PTS, VCS, UP) 3.6.1-1analytical-biochemistry
mmass (PTS, VCS, UP) 5.5.0-55.5.0-55.5.0-55.5.0analytical-biochemistry
molds (PTS, VCS, UP) 0.3.1-10.3.1-10.3.1semiempirical
mopac7 (PTS, VCS, UP) 1.15-61.15-61.15-61.15semiempirical
mpi-defaults (PTS, VCS, UP) 1.81.131.13development
mpqc (PTS, VCS, UP) 2.3.1-182.3.1-182.3.1-182.3.1molecular-abinitio development
mpqc3 (PTS, VCS, UP) 0.0~git20170114-40.0~git20170114-4molecular-abinitio
msxpertsuite (PTS, VCS, UP) 5.3.3-15.6.0-15.5.3analytical-biochemistry
nwchem (PTS, VCS, UP) 6.8+47+gitdf6c956-36.8+47+gitdf6c956-36.8+133+gite032219molecular-dynamics periodic-abinitio molecular-abinitio
openbabel (PTS, VCS, UP) 2.3.2+dfsg-32.4.1+dfsg-22.4.1+dfsg-22.4.1cheminformatics
openms (PTS, VCS, UP) 2.4.0-12.3.0-srcanalytical-biochemistry
openmx (PTS, VCS, UP) 3.7.6-13.8.5+dfsg1-13.8.5+dfsg1-13.8.5periodic-abinitio
opsin (PTS, VCS, UP) 1.5.0-12.3.1-12.3.1-12.3.1cheminformatics
osra (VCS, UP) 2.0.1-1view-edit-2d
p4vasp (PTS, VCS, UP) 0.3.29+dfsg-30.3.30+dfsg-30.3.30input-generation-output-processing visualisation
psi4 (PTS, VCS, UP) 1.0-11.1-51.2.1molecular-abinitio
psicode (PTS, VCS, UP) 3.4.0-63.4.0-63.4.0-63.4.0development molecular-abinitio
pymol (PTS, VCS, UP) 1.8.4.0+dfsg-12.1.0+dfsg-32.1.0+dfsg-32.1.0molecular-modelling
python-ase (PTS, VCS, UP) 3.12.0-23.16.2-13.16.2-13.16.2input-generation-output-processing
python-fabio (PTS, VCS, UP) 0.4.0+dfsg-20.7.0+dfsg-20.7.0+dfsg-20.7.0+dfsg-2~bpo9+10.7.0crystallography
qutemol (PTS, VCS, UP) 0.4.1~cvs20081111-60.4.1~cvs20081111-90.4.1~cvs20081111-9visualisation
rasmol (PTS, VCS, UP) 2.7.5.2-22.7.5.2+dfsg-12.7.5.2visualisation
raster3d (PTS, VCS, UP) 3.0-3-23.0-3-33.0-3-33.0-3visualisation
r-cran-maldiquant (PTS, VCS, UP) 1.16.1-11.18-11.18-11.18analytical-biochemistry
r-cran-maldiquantforeign (PTS, VCS, UP) 0.10.1-10.11.5-10.11.5-10.11.5analytical-biochemistry
r-cran-mixtools (PTS, VCS, UP) 1.0.4-11.1.0-21.1.0-21.1.0analytical-biochemistry
r-cran-readbrukerflexdata (PTS, VCS, UP) 1.8.3-11.8.5-21.8.5-21.8.5analytical-biochemistry
r-cran-readmzxmldata (PTS, VCS, UP) 2.8.1-12.8.1-32.8.1-32.8.1analytical-biochemistry
rdkit (PTS, VCS, UP) 201603.5-2201709.3+dfsg-1201803.4cheminformatics
r-other-amsmercury (PTS, VCS, UP) 1.3.0-21.3.0-31.3.0-30.No-Siteanalytical-biochemistry
r-other-curvefdp (PTS, VCS, UP) 2.0-22.0-52.0-52.0analytical-biochemistry
r-other-iwrlars (PTS, VCS, UP) 0.9-5-20.9-5-30.9-5-30.No-Siteanalytical-biochemistry
r-other-nitpick (PTS, VCS, UP) 2.0-22.0-52.0-50.No-Siteanalytical-biochemistry
scalapack (PTS, VCS, UP) 1.8.0-132.0.2-72.0.2-72.0.2development
shelxle (PTS, VCS, UP) 1.0.816-11.0.912-11.0.912-11.0.937crystallography visualisation
tandem-mass (PTS, VCS, UP) 20151215-420170201.1-120170201.1-12017.02.01.4.zipanalytical-biochemistry
tiledarray (PTS, VCS, UP) 0.6.0-50.6.0-5.20.6.0-5.20.4.4development
travis (PTS, VCS, UP) 161013-1170812-1170812-1181002input-generation-output-processing
viewmol (PTS, VCS, UP) 2.4.1-242.4.1-252.4.1-252.4.1visualisation input-generation-output-processing
votca-csg (PTS, VCS, UP) 1.3.0-31.4.1-11.4.1-11.4.1molecular-dynamics
v-sim (PTS, VCS, UP) 3.7.2-23.7.2-63.7.2visualisation
xbs (PTS, VCS, UP) 0-100-100-10visualisation
xcrysden (PTS, VCS, UP) 1.5.60-11.5.60-11.5.60crystallography visualisation input-generation-output-processing
xdrawchem (PTS, VCS, UP) 2.0-61.10.2.1-11.10.2.1-11.10.2.1view-edit-2d
xmakemol (PTS, VCS, UP) 5.16-95.16-95.16-9visualisation