UAntwerp 2020a toolchains

Most software packages in use on leibniz were reinstalled in the 2020a toolchains, which are the initial toolchains for the Vaughan cluster. Many packages were updated to their most recent versions.

Searching for installed software

At UAntwerp, Lmod is the environment module system to manage the software available to the users since 2017.

One advantage of Lmod over the software we used before, is much more powerful search for installed software. Search is also case-insensitive, so you do not need to know if capitals are used in the module name or not to find the correct name and version of a module.

There are three commands to search for a module:

  1. Search in the list of activated modules (those modules that can be loaded without first loading another calcua` module):

    $ module av Python
    

    will search for an activated module whose name or version string contains Python.

  2. Search in the list of all available modules, including those that require loading other modules first:

    $ module spider Python
    

    If you need more information about the module, including which modules you might need to load, you can use:

    $ module spider Python/3.8.3-intel-2020a
    

    The explanation in the output about the module(s) that need to be loaded to actually use that Python module, can be a bit confusing. You have to take one line from the output and load all modules on that line (and in most cases one module will be sufficient).

  3. Each module also contains a limited amount of additional information that can be shown with the module whatis command, e.g.:

    $ module whatis Python/3.8.3-intel-2020a
    

    It is possible to search through all the ‘whatis’-information of installed modules using module keyword:

    $ module keyword CMake
    

    This is a pretty powerful way to search for installed software. Whenever we put several related software packages together in a single module, we try to make sure that that software can be found through module keyword. Unfortunately, though the software that we use to install packages and to generate the modules in a consistent way, does not yet allow us to easily generate a list of the extensions included in modules such as Python, Perl or R. The output of module spider for s specific version number will usually show the included packages (with very few exceptions where we needed to use special tricks to install the packages).

Overview of modules

The first column is the name of the module. The second column contains the most recent version of the module installed in the pre-2020a toolchains. The third column then shows the version(s) offered in the 2020a toolchains or refers to an alternative.

Package Last version 2020a version
ABINIT 8.10.2-intel-2016b-hybrid-mkl
  • 8.10.3-intel-2020a-hybrid-mkl
  • 9.0.4-intel-2020a-hybrid-mkl
ACTC 1.1-GCCcore-8.3.0 1.1-GCCcore-9.3.0
Amber 18-intel-2019b-AmberTools-19-patchlevel-17-9
  • 18-intel-2019b-AmberTools-19-patchlevel-17-12
  • 20-intel-2020a-AmberTools-20-patchlevel-6-10
ANSYS 17.2 Toolchain-independent
ant 1.10.1-Java-8 SYSTEM toolchain
ANTs 2.3.2-intel-2019b 2.3.3-intel-2020a
arpack-ng 3.6.3-intel-2019b 3.6.3-intel-2020a
ASE 3.18.1-intel-2019b-Python-3.7.4 3.19.1-intel-2020a-*
atools 1.4.7 SYSTEM toolchain
Autoconf 2.69 Moved to buildtools/2020a
AutoDock_Vina 1.1.2 SYSTEM toolchain
Automake 1.15 Moved to buildtools/2020a
Autotools 20161231 Moved to buildtools/2020a
BALi-Phy 3.0-beta4-intel-2017a-sequential Installed on demand
baselibs 2019b-GCCcore-8.3.0 2020a-GCCcore-9.3.0
Bazel 0.5.3 SYSTEM toolchain
BCFtools 1.10.2-intel-2019b Moved into BioTools/2020a.00-intel-2020a
bcl2fastq2 2.20.0-intel-2018b Installed on demand
beagle-lib 3.1.2-intel-2019b(-OpenMP) 3.1.2-intel-202020a(-OpenMP)
Beast 2.6.0-intel-2019b 2.6.2-intel-2020a
BEDtools 2.27.1-intel-2018b Moved into BioTools/2020a.00-intel-2020a
behave 1.2.5-intel-2017a-Python-2.7.13 Installed on demand
BerkeleyGW 2.1-intel-2019b-hybrid 2.1-intel-2020a-hybrid
binutils 2.32-GCCcore-8.3.0 2.34-GCCcore-9.3.0
BioPerl 1.7.2-intel-2018b-Perl-5.26.1 1.7.7-intel-2020a-Perl-5.30.2
Biopython 1.74-intel-2019b-Python-3.7.4 Moved into BioTools-Python/2020a.00-intel-2020a-*
Bismark 0.22.1-intel-2019b 0.22.3-intel-2020a
Bison 3.0.5 Moved to buildtools/2020a
BLAST+ 2.9.0-intel-2018b-Python-3.7.1 2.10.0-intel-2020a
BoltzTraP 1.2.5-intel-2018a Installed on demand (suggestion: BoltzTraP2)
Boost 1.70.0-intel-2019b 1.73.0-intel-2020a
Bowtie2 2.3.5.1-intel-2019b 2.4.1-intel-2020a
buildtools 2019b 2020a
BWA 0.7.17-intel-2019b 0.7.17-intel-2020a
byacc 20170201 Moved to buildtools/2020a
bzip2 1.0.6-intel-2018b Moved to baselibs/2020a-GCCcore-9.3.0
cairo 1.17.2-GCCcore-8.3.0 1.17.2-GCCcore-9.3.0
canu 1.9-intel-2019b 2.0-intel-2020a
CD-HIT 4.6.8-intel-2018b 4.8.1, moved into BioTools
CellRanger 2.2.0-intel-2018b Move to system toolchain, need update from the user
CellRanger-DNA 1.1.0 SYSTEM toolchain, files and license needed
CGAL 4.10.2-intel-2019b-forOpenFOAM6 4.10.2-intel-2020a-forOpenFOAM6
ClonalFrameML 1.11-intel-2018b 1.12, moved into BioTools
CMake 3.9.1 Moved to buildtools/2020a
COMSOL 5.3 5.5.0.359
core-counter 1.1 1.1.1 (SYSTEM toolchain)
CP2K 7.1 in various variants 7.1 in various variants
CPMD 4.3-intel-2019b 4.3-intel-2020a-pl4624
cppcheck 1.83-intel-2018a Installed on demand (and needs Qt5)
Cube 4.3.5-intel-2018a TODO - Awaiting Qt5 which does not compile
CUDA 10.2.89 11.1.0
cuDNN 7.6.5.32-CUDA-10.1.243 Toolchain-independent
cURL 7.61.0-intel-2018b Moved to baselibs/2020a-GCCcore-9.3.0
Dacapo 476-intel-2018b Installed on demand, web site outdated
Dalton 2018.2-intel-2018b-i8 Installed on demand
Darknet 20180326-intel-2018a-* Installed on demand
darshan-runtime 3.1.7-intel-2018b Installed on demand
darshan-util 3.1.7-intel-2018b Installed on demand
DDSCAT 7.3.2_170125-intel-2018a Installed on demand
Delft3D 7565-intel-2018b Installed on demand
DFTB+ 19.1-intel-2019b-Python-2.7.16(-MPI) 19.1-intel-2020a-Python-3.8.2(-MPI)
DIAMOND 0.9.22-intel-2018a Installed on demand
DLCpar 1.0-intel-2019b-Python-3.7.4 Moved into BioTools-Python/2020a.00-intel-2020a-*
DMTCP 2.6.0 Toolchain-independent?
Doxygen 1.8.13 Moved to buildtools/2020a
DSSP 2.2.1-intel-2017a 2.3.0-intel-2020a, 3.1.4-intel-2020a
EasyBuild 4.2.0 Toolchain-independent
eclipse parallel-2018-12 Installed on demand
Eigen 3.3.7-intel-2019b 3.3.7
Elk 5.2.14-intel-2019b 6.3.2-intel-2020a
ELPA 2019.11.001-intel-2019b 2019.11.001-intel-2020a
ELSI 2.5.0-intel-2019b 2.5.0-intel-2020a
Exonerate 2.4.0-intel-2017a Installed on demand (unmaintained)
expat 2.2.5-intel-2018b Moved to baselibs/2020a-GCCcore-9.3.0
Faiss 1.5.0-intel-2018b-Python-3.7.1-CPU Installed on demand
FastME 2.1.6.1-intel-2018a Installed on demand
fastp 0.20.0-intel-2019b Moved to BioTools/2020a.00-intel-2020a
FastTree 2.1.10-intel-2018b Moved to BioTools/2020a.00-intel-2020a
FFmpeg 4.1.4 (Intel and GCCcore) 4.2.2 (Intel and GCCcore)
FFTW 3.3.8-intel-2019b 3.3.38 (Intel 2 versions)
file 5.30-intel-2017a Moved to baselibs/2020a-GCCcore-9.3.0
FINE-Marine 5.2 Installed on demand
flex 2.6.4 Moved to buildtools/2020a
FLTK 1.3.5-GCCcore-8.3.0-viz 1.3.5-GCCcore-9.3.0-viz
Flye 2.7-intel-2019b-Python-3.7.4 Moved into BioTools-Python/2020a.00-intel-2020a-*
fontconfig 2.12.6-intel-2018b Moved to baselibs/2020a-GCCcore-9.3.0
foss 2018b Installed on demand
freetype 2.9-intel-2018a Moved to baselibs/2020a-GCCcore-9.3.0
FriBidi 1.0.5-intel-2018b Moved to baselibs/2020a-GCCcore-9.3.0
GATK 4.1.4.1-Java-8-minimal SYSTEM toolchain
Gaussian Gaussian16/g16_A3-AVX2
  • g16_a03-avx2
  • g16_c01-avx2
GaussView / 6.1.1
gc 7.6.4-intel-2018a Moved to baselibs/2020a-GCCcore-9.3.0
GCC 8.3.0-2.32 9.3.0-2.34
GCCcore 8.3.0 9.3.0
GDAL 3.0.1-intel-2019b 3.1.0-intel-2020a
GEOS 3.7.2-intel-2019b 3.8.1-intel-2020a
gettext 0.19.8.1-intel-2018b Moved to baselibs/2020a-GCCcore-9.3.0
Ghostscript 9.27-GCCcore-8.3.0 9.52-GCCcore-9.3.0
git 2.13.3 Moved to buildtools/2020a
GLib 2.61.2-GCCcore-8.3.0 2.64.1-GCCcore-9.3.0
GlobalArrays / 5.7.2-intel-2020a-peigs
GMAP-GSNAP 2019-06-10-intel-2019b 2020-03-12-intel-2020a
g_mmpbsa 1.6 Toolchain-independent
gnuplot 5.2.7-intel-2019b 5.4.0-intel-2020a
Go 1.10.1 Updated on demand
GObject-Introspection 1.61.1-GCCcore-8.3.0 1.64.1-GCCcore-9.3.0
gompi 2018b Installed on demand
GPAW 19.8.1 (multiple configurations) 20.1.0 (multiple configurations)
GROMACS 2019.4-intel-2019b
  • 2019.4 with PLUMED
  • 2020.2-intel-2020a with and without CUDA
GSL 2.5-intel-2018b Moved to baselibs/2020a-GCCcore-9.3.0
gtest 1.8.1 (Intel, GCCcore) 1.10.0-intel-2020a
Guile 2.2.3-intel-2018a-ncurses Installed on demand
Gurobi 9.0.0 Toolchain-independent
hanythingondemand 3.2.0-intel-2017a-Python-2.7.13 Installed on demand
HarfBuzz 2.5.3-GCCcore-8.3.0 2.6.4-GCCcore-9.3.0
HDF5 1.10.5-intel-2019b-MPI (and 1.8.21) 1.12.0-intel-2020a-MPI (and 1.10.6)
HEEDS 2018.10 Installed on demand (SimCenter option).
help2man 1.47.5 Moved to buildtools/2020a
HISAT2 2.0.5-intel-2017a Installed on demand.
HTSeq 0.7.2-intel-2017a-Python-2.7.13 Moved into BioTools-Python/2020a.00-intel-2020a-*
hwloc 1.11.5-GCC-6.3.0-2.27 Installed on demand
ImageMagick 7.0.9-7-GCCcore-8.3.0 7.0.10-10-GCCcore-9.3.0
intel 2019b 2020a
inteldevtools 2019b 2020a
IntelPython2 2019b Python 2 support has ended
IntelPython3 2019b (3.6 equivalent) 2020a (3.7 equivalent)
intltool 0.51.0-intel-2018b-Perl-5.26.1 0.51.0-GCCcore-9.3.0-Perl-5.30.2
IOzone 3.489 System maintenance only
i-PI / 2.3.0-intel-2020a-Python-3.8.3
ITensor 2.1.1-intel-2018b On demand, not meant for a central install
JAGS 4.3.0-intel-2019b 4.3.0-intel-2020a
JasPer 2.0.14-intel-2018b Moved to baselibs/2020a-GCCcore-9.3.0
Java 11 Toolchain-independent
Jmol 14.30.1-Java-11 Toolchain-independent
Julia 0.6.0-intel-2017a-Python-2.7.13 Installed on demand
JUnit 4.12-Java-8 Installed on demand
Keras 2.2.2 Keras is now part of TensorFlow
KHRplatform 1.0 Toolchain-independent
Kraken 1.0-intel-2018b-Perl-5.26.1 1.1.1-intel-2020a-Perl-5.30.2
Kraken2 / 2.0.9-beta-intel-2020a-Perl-5.30.2
kwant 1.2.2-intel-2017a-Python-3.6.1 Consider kwant-bundle which includes related packages
kwant-bundle 1.3.2-intel-2018a-Python-3.6.6 1.4.2-intel-2020a-Python-3.8.3
LAME 3.100-intel-2018b Moved to baselibs/2020a-GCCcore-9.3.0
LAMMPS 16Mar2018-intel-2017a 11Aug2017-intel-2020a
libcerf 1.5-intel-2018b Moved to baselibs/2020a-GCCcore-9.3.0
libffi 3.2.1-intel-2018b Moved to baselibs/2020a-GCCcore-9.3.0
libgd 2.2.5-intel-2019b 2.3.0-intel-2020a
Libint v2.6.0-intel-2019b-cp2k-lmax-4 Installed in function of other packages
libjpeg-turbo 1.5.3-intel-2018b Moved to baselibs/2020a-GCCcore-9.3.0
libmatheval 1.1.11-intel-2017a Installed on demand
libpng 1.6.34-intel-2018b Moved to baselibs/2020a-GCCcore-9.3.0
libreadline 7.0-intel-2018b Moved to baselibs/2020a-GCCcore-9.3.0
librosa 0.7.2-intel-2019b-Python-3.7.4 Waiting for compatible version
libsndfile 1.0.28-GCCcore-8.3.0 Moved to baselibs/2020a-GCCcore-9.3.0
LibTIFF 4.0.9-intel-2018b Moved to baselibs/2020a-GCCcore-9.3.0
libtool 2.4.6 Moved to buildtools/2020a
libunistring 0.9.8-intel-2018a Moved to baselibs/2020a-GCCcore-9.3.0
libvdwxc 0.4.0-intel-2019b-MPI 0.4.0-intel-2020a-MPI
libxc 4.3.4-intel-2019b 4.3.4-intel-2020a
libxml2 2.9.8-intel-2018b Moved to baselibs/2020a-GCCcore-9.3.0
libxslt 1.1.32-intel-2018b Moved to baselibs/2020a-GCCcore-9.3.0
libxsmm 1.14-intel-2019b 1.15-intel-2020a
libyaml 0.2.2-GCCcore-8.3.0 Moved to baselibs/2020a-GCCcore-9.3.0
LittleCMS 2.9-GCCcore-8.3.0 2.9-GCCcore-9.3.0
LLVM 3.9.1-intel-2017a In function of other packages
LMDB 0.9.22-intel-2018b Moved to baselibs/2020a-GCCcore-9.3.0
Lumen 1.2-intel-2018a Installed on demand
M4 1.4.18-GCCcore-7.3.0 Moved to buildtools/2020a
MAFFT 7.407-intel-2018b-with-extensions 7.471-intel-2020a-with-extensions
make 4.2.1 Moved to buildtools/2020a
Maple 2020.0 Toolchain-independent
Mathematica 12.0 Toolchain-independent
MATLAB R2020a Toolchain-independent
MCL 14.137-intel-2019b Moved into BioTools/2020a.00-intel-2020a
mdust 1.0-intel-2017a Installed on demand
MEGAHIT 1.2.9-intel-2019b Moved into BioTools/2020a.00-intel-2020a
Mesa CentOS7 Dummy module needed for EasyBuild
metapub Was Python-bioinformatics 0.5.50intel-2020a-…
METIS 5.1.0-intel-2019b-i32-fp64 5.1.0-intel-2020a-i32-fp64
miniasm / Moved into BioTools/2020a.00-intel-2020a
minimap2 Not installed but requested Moved into BioTools/2020a.00-intel-2020a
molmod 1.1-intel-2017a-Python-2.7.13 1.4.7-intel-2020a-…
monitor 1.1.2 1.1.2 (system toolchain)
Mono 4.8.0.495-intel-2017a Installed on demand
MonolixSuite 2019R2 Toolchain-independent
MPFR 4.0.1-intel-2018b Moved to baselibs/2020a-GCCcore-9.3.0
MrBayes 3.2.7-intel-2019b-MPI 3.2.7-intel-2020a-MPI
MUMPS 5.2.1-intel-2019b-noOpenMP-noMPI 5.3.1-intel-2020a-noOpenMP-noMPI
MUSCLE 3.8.31-intel-2019b Moved into BioTools/2020a.00-intel-2020a
NAMD 2.12-verbs, 2.12-verbs-smp 2.14-verbs, 2.14-verbs-smp
NASM 2.12.02 Moved to buildtools/2020a
ncbi-vdb 2.8.2-intel-2017a Installed on demand
ncurses 6.1-intel-2018b Moved to baselibs/2020a-GCCcore-9.3.0
netCDF 4.7.0-intel-2019b-(no)MPI 4.7.3-intel-2020a-(no)MPI
NEST 2.20.1-intel-2019b-Python-3.7.4-* 2.20.1-intel-2020a-Python-3.8.3-*
NetPyNE 0.9.1.3-intel-2018b-Python-3.7.1 0.9.6-intel-2020a-…
NEURON 7.7.2-intel-2019b-Python-3.7.4 7.7.2-intel-2020a-Python-3.8.2
NGS 2.9.6-intel-2019b 2.10.4-intel-2020a
NSS-NSPR 3.45-4.22-GCCcore-8.3.0 3.51.1-4.25-GCCcore-9.3.0
NTPoly 2.4-intel-2019b 2.4-intel-2020a
numactl 2.0.11-GCC-6.3.0-2.27 Installed with OpenMPI
numba 0.48.0-intel-2019b-Python-3.7.4 0.49.1-intel-2020a-Python-3.8.3
NWChem 6.6.r27746-intel-2017a-Python-2.7.13 7.0.0-intel-2020a-Python-3.8.3
OMNIS-LB 3.1-2 Installed on demand
OpenBLAS 0.3.5-GCC-7.3.0-2.30 Installed with foss
OpenCV 3.4.0-intel-2018a-CPU-noGUI Installed on demand
OpenFOAM 6-intel-2019b 6-intel-2020a
OpenMPI 3.1.1-GCC-7.3.0-2.30 Installed with foss
OpenMX 3.8.5-intel-2018b 3.8.5-intel-2020a, 3.9.2-intel-2020a
OrthoFinder 2.2.6-intel-2018a Installed on demand
OTF2 2.1.1-intel-2018a Installed when needed
p7zip 16.02 SYSTEM toolchain, unmaintained
Pango 1.44.3-GCCcore-8.3.0 1.44.7-GCCcore-9.3.0
parallel 20180422 20200422
ParaView
  • 5.4.1-intel-2018a-viz-Python-3.6.4
  • 5.8.1-intel-2018a-viz-Python-3.6.4
Updated on demand, fails to compile so far
ParMETIS 4.0.3-intel-2019b-i32-fp64 4.0.3-intel-2020a-i32-fp64
patchelf 0.9 Moved into buildtools/2020a
pbs_PRISMS 1.0.1-intel-2017a-Python-2.7.13 Not for SLURM
pbs_python 4.6.0-intel-2017a-Python-2.7.13 Not for SLURM
PCRE 8.42-intel-2018b Moved to baselibs/2020a-GCCcore-9.3.0
Perl 5.30.0-GCCcore-8.3.0 5.30.2-intel-2020a
phonopy 2.1.2-intel-2018b-Python-3.6.8 2.6.1-intel-2020a-…
Pilon 1.23-Java-11 SYSTEM toolchain
pixman 0.34.0-intel-2018b Moved into baselibs/2020a-GCCcore-9.3.0
pkg-config 0.29.1 Moved into buildtools/2020a
PLUMED 2.6.0-intel-2019b 2.6.1-intel-2020a
PRANK 170427-intel-2018b Installed on demand
PROJ 6.1.1-intel-2019b 7.0.1-intel-2020a
protobuf 3.7.1-intel-2018b-Python-3.6.8 3.12.3-GCCcore-9.3.0
Python 2.7.18, 3.7.4 3.8.2-intel-2020a
Python-bioinformatics 2019b.00-* / now metapub
Python-IDLab-networks 2019b.00-* Not installed due to problems with gevent
Python-IntelMods 2019b.00-intel-2019b-Python-3.7.4 Obsolete, or try IntelPython3
Qt5 5.13.0-GCCcore-8.3.0-noOpenGL TODO - unsolved compilation failures
QuantumESPRESSO 6.4.1-intel-2018b-* 6.4.1-intel-2020a-*, 6.5-intel-2020a-*
QUIP 180612-intel-2017a Installed on demand due to past comp. problems
QuTiP 4.3.1-intel-2018b-Python-3.6.8 QuTiP/4.5.1-intel-2020a-…
R 3.5.1-intel-2018b 4.0.2-intel-2020a
Racon 1.3.3-intel-2018b Moved into BioTools/2020a.00-intel-2020a
RAxML 8.2.10-intel-2017a-hybrid Installed on demand
RAxML-NG 0.9.0-intel-2019b 0.9.0-intel-2020a
Roary 3.12.0-intel-2018b-Perl-5.26.1 Incompatible with other software in the toolchain
Ruby 2.4.0 SYSTEM toolchain, updated on demand
SAMtools 1.9-intel-2019b Moved into BioTools/2020a.00-intel-2020a
ScaLAPACK 2.0.2-gompi-7.3.0-OpenBLAS-0.2.20 Installed with foss
Scalasca 2.4-intel-2018a Installed on demand
scikit-umfpack 0.3.2-intel-2019b-Python-3.7.4 Moved to kwant-bundle
SCons 3.0.0 SYSTEM toolchain
SCOTCH 6.0.7-intel-2019b 6.0.7-intel-2020a
SICER2 Installed in user directory Moved into BioTools-Python
Siesta 4.0-intel-2017a 4.0.2-intel-2020a, 4.1-b4-intel-2020a
Simcenter 12.02 Toolchain-independent
SIONlib 1.7.2-intel-2018a-tools Installed when needed by a package
SMALT 0.7.6-intel-2019b 0.7.6-intel-2020a
SPAdes 3.14.0-intel-2019b-Python-3.7.4 3.14.1-intel-2020a-Python-3.8.2
SQLite 3.29.0-intel-2019b 3.31.1-intel-2020a
STAR / 2.7.6a-intel-2020a
STAR-CCM+ 2019.3.1 Toolchain-independent
Stata 15MP Toolchain-independent
SuiteSparse 5.4.0-intel-2019b-METIS-5.1.0 5.7.1-intel-2020a-METIS-5.1.0
SWIG 4.0.0-* 4.0.1-*
Szip 2.1.1-intel-2018b Moved into baselibs/2020a-GCCcore-9.3.0
Tcl 8.6.9-intel-2019b 8.6.10-intel-2020a
TELEMAC v8p1r1-intel-2019b v8p1r1-intel-2020a
TensorFlow 2.1.0-intel-2019b-* 2.2.0-intel-2020a-*
TensorRT 6.0.1.5-CUDA-10.1.243-cuDNN-7.6.5.32 Toolchain-independent
Tk 8.6.9-intel-2019b 8.6.10-intel-2020a
torque-tools 1.0.2 Obsolete on SLURM
Towhee / 8.2.0-intel-2020a
Trimmomatic 0.39-Java-11 Toolchain-independent
UDUNITS 2.2.26-intel-2018b Moved into baselibs/2020a-GCCcore-9.3.0
Unicycler 0.4.7-intel-2018b-Python-3.7.1 0.4.8-intel-2020a-Python-3.8.3
USPEX 10.3-intel-2018a TODO - Needs VASP first
util-linux 2.32-intel-2018b Moved into baselibs/2020a-GCCcore-9.3.0
VASP 5.4.4-intel-2018b-Wannier90-2.1.0
  • 5.4.4-intel-2020a-Wannier90-2.1.0
  • 6.1.1-intel-2020a-Wannier90-2.1.0
VESTA 3.4.6 Installed on demand
VMD 1.9.3-intel-2019b-Python-2.7.16-viz 1.9.3-intel-2020a-viz
Voro++ 0.4.6-intel-2019b 0.4.6-intel-2020a
vsc-base 2.5.1 Obsolete
vsc-install 0.12.7-intel-2019b-Python-3.7.4 Obsolete
vsc-mympirun 4.1.9-intel-2019b-Python-2.7.16 5.0.1 (SYSTEM toolchain)
vsc-tutorial 202003-intel-2019b 202003-intel-2020a
vsc-vnc 0.1 SYSTEM toolchain
VSEARCH 2.14.2-intel-2019b Moved into BioTools/2020a.00-intel-2020a
Wannier90 2.1.0-intel-2018b 3.1.0-intel-2020a
WannierTools / 2.5.1-intel-2020a
worker 1.6.8-intel-2019b 1.6.12-intel-2020a
X11 2019b-GCCcore-8.3.0 2020a-GCCcore-9.3.0
x264 20180212-intel-2018b Moved into baselibs/2020a-GCCcore-9.3.0
x265 2.8-intel-2018b Moved into baselibs/2020a-GCCcore-9.3.0
XML-LibXML 2.0132-intel-2018b-Perl-5.26.1 Integrated into BioPerl
xprop 1.2.4-GCCcore-8.3.0 Integrated in X11/2020a-GCCcore-9.3.0
XZ 5.2.4-intel-2018b Moved into baselibs/2020a-GCCcore-9.3.0
Yambo / 4.4.1-intel-2020a
ZDPlasKin 2.0a TODO
zlib 1.2.11-intel-2018b Moved into baselibs/2020a-GCCcore-9.3.0

Additional information

For the modules in alphabetical order:

Python

We refer to the page Python on the UAntwerp clusters for information on the differences between various Python modules on our system and on installing additional packages.

R module

The R module in the 2020a toolchain contains roughly 600 R packages from the CRAN and BioConductor repositories. The list is based on packages requested by our own users and by users at some institutions that we collaborate with.

It is possible to install additional packages in your own directory using install.packages. As for Python, we prefer that Conda is only used as the method-of-last-resort for the same reasons as given on the page “Python on the UAntwerp clusters.

If you install additional packages yourself and let us know, we will try to add them to the next release of our R module.