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.