List of Software in SBEnv environment

Software available on the CCEnv software stack on Grex.#

Grex receives the ComputeCanada/Alliance software environment via CVMFS. Full autogenerated list of software is available at the Available Software page on the Allince Documentation Wiki.

Note that Grex does not install local, commercial software licensed only to the National/Alliance systems. The software listed under “List of globally-installed modules” is available.

Software available on the SBEnv software stack on Grex.#

Below is the auto-generated list of software modules available on Grex’s local SBEnv software stack.

Note that many items on this list, most notably for commercial software, are available only to the licensed software owners/research groups of that software! Please use module spider , module help and module load commands to check if a particular software module can be loaded by your group.

The list is updated periodically. The most authoritative method to check for available software is still module spider as described on the Using Modules page.

SoftwareVersionsDescription/HomepageModule dependencies
CCEnv
Expand CCEnv description
Description: Compute Canada software modules. Must be loaded to see Compute Canada modules in ‘module spider’
https://docs.computecanada.ca/wiki/Available_software
SBEnv
Expand SBEnv description
Alma8 software environment for Grex usin Niagara SB
adf2019.305-impi, 2021.106-impi, 2021.107-impi, 2023.104-impi, 2024.105-impi, 2024.105-impi-aocl
Expand adf description
AMS, Amsterdam Density Functional suite of codes Georg Schrecnekbach group at UManitoba, IntelMPI version
admixture1.3.0
Expand admixture description
ADMIXTURE: Fast ancestry estimation
amber24
Expand amber description
Description: Amber (originally Assisted Model Building with Energy Refinement) is software for performing molecular dynamics and structure prediction
https://ambermd.org/
(arch/avx512 gcc/13.2.0 openmpi/4.1.6)
ansys2023R2, 21.1
Expand ansys description
ANSYS suite of engineering simulation software
ant1.10.15
Expand ant description
Description: Apache Ant is a Java library and command-line tool whose mission is to drive processes described in build files as targets and extension points dependent upon each other. The main known usage of Ant is the build of Java applications
https://ant.apache.org/
aocc4.2.0
Expand aocc description
Description: The AOCC compiler system is a high performance, production quality code generation tool
https://developer.amd.com/amd-aocc/
(arch/avx2), (arch/avx512)
aocl4.2.0, 4.2.0-64
Expand aocl description
Description: AMD Optimizing CPU Libraries (AOCL) are a set of numerical libraries optimized for AMD EPYC processor family
https://developer.amd.com/amd-aocl/
(arch/avx512 aocc/4.2.0), (arch/avx2 gcc/13.2.0), (arch/avx512 gcc/13.2.0), (cuda/12.4.1 arch/avx2 gcc/13.2.0)
archavx2, avx512
Expand arch description
Description: a module to pick the CPU architecture
(cuda/12.2.2), (cuda/11.8.0), (cuda/12.4.1)
armadillo11.4.3, 14.2.2
Expand armadillo description
; Description: Armadillo is an open-source C++ linear algebra library (matrix maths) aiming towards a good balance between speed and ease of use. Integer, floating point and complex numbers are supported, as well as a subset of trigonometric and statistics functions
http://arma.sourceforge.net
(arch/avx512 gcc/13.2.0)
arpack-ng3.9.1+mkl-2019.5
Expand arpack-ng description
Description: ARPACK is a collection of Fortran77 subroutines designed to solve large scale eigenvalue problems
https://github.com/opencollab/arpack-ng
(arch/avx512 gcc/13.2.0), (arch/avx512 gcc/13.2.0 openmpi/4.1.6)
arrow18.1.0
Expand arrow description
Description: Apache Arrow is a cross-language development platform for in-memory data
https://arrow.apache.org
(arch/avx512 gcc/13.2.0)
asynch1.4.3, git-a5d1d77
Expand asynch description
Asynch is numerical library for solving differential equations with a tree structure
(arch/avx512 gcc/13.2.0 openmpi/5.0.6)
autodock4.2.6
Expand autodock description
Description: AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure
http://autodock.scripps.edu/
(arch/avx512 intel/2023.2), (arch/avx512 gcc/13.2.0)
autodock-vina1.2.7
Expand autodock-vina description
Description: AutoDock Vina is an open-source program for doing molecular docking
http://vina.scripps.edu/index.html
(arch/avx512 gcc/13.2.0)
autotools2022a
Expand autotools description
Description: GNU autoconf, automake, gettext, and libtool
https://www.gnu.org/software/{autoconf,automake,gettext,libtool}/
(arch/avx512), (arch/avx2)
bamtools2.5.2
Expand bamtools description
Description: BamTools provides both a programmer’s API and an end-user’s toolkit for handling BAM files
https://github.com/pezmaster31/bamtools
beagle5.4-20241029
Expand beagle description
Description: Beagle is a software package for phasing genotypes and for imputing ungenotyped markers
https://faculty.washington.edu/browning/beagle/beagle.html
bedtools2.31.1
Expand bedtools description
Description: a swiss-army knife of tools for a wide-range of genomics analysis tasks
https://github.com/arq5x/bedtools2
(arch/avx512)
binutils2.42
Expand binutils description
(arch/avx512)
birch3.90
Expand birch description
BIRCH is a powerful framework for organizing and using bioinformatics. ; BIRCH comes with hundreds of commonly-used tools, and allows you to customize your BIRCH site by adding new ones
https://home.cc.umanitoba.ca/~psgendb/index.html
blastplus2.16.0
Expand blastplus description
Description: Basic Local Alignment Search Tool, or BLAST, is an algorithm for comparing primary biological sequence information, such as the amino-acid sequences of different proteins or the nucleotides of DNA sequences
https://blast.ncbi.nlm.nih.gov/
(arch/avx512 gcc/13.2.0)
blat3.7
Expand blat description
Description: BLAT on DNA is designed to quickly find sequences of 95% and greater similarity of length 25 bases or more
https://genome.ucsc.edu/goldenPath/help/blatSpec.html
(arch/avx512 gcc/13.2.0)
blis0.9.0
Expand blis description
Description: BLIS is a portable software framework for instantiating high-performance BLAS-like dense linear algebra libraries
https://github.com/flame/blis
(arch/avx2 gcc/13.2.0), (arch/avx512 gcc/13.2.0)
boost1.78.0, 1.85.0
Expand boost description
Description: Boost provides free peer-reviewed portable C++ source libraries, emphasizing libraries that work well with the C++ Standard Library
http://www.boost.org
(arch/avx512 intel/2023.2), (arch/avx512 gcc/9.5.0), (arch/avx512 gcc/13.2.0)
bowtie22.5.4
Expand bowtie2 description
Description: Bowtie 2 is an ultrafast and memory-efficient tool for aligning sequencing reads to long reference sequences
http://bowtie-bio.sourceforge.net/bowtie2/
(arch/avx512)
buildah1.39.3
Expand buildah description
Buildah is a tool that facilitates building Open Container Initiative (OCI) container images
https://buildah.io/
busco5.8.3
Expand busco description
Description: BUSCO provides Assessment of assembly completeness using Universal Single Copy Orthologs
https://busco.ezlab.org
bwa0.7.18
Expand bwa description
Description: BWA - Burrows-Wheeler Aligner is an efficient program that aligns relatively short nucleotide sequences
http://bio-bwa.sourceforge.net/
(arch/avx512 gcc/13.2.0)
cdo2.5.0
Expand cdo description
Description: CDO is a collection of command line Operators to manipulate and analyse Climate and NWP model Data
https://code.mpimet.mpg.de/projects/cdo
(arch/avx512 gcc/13.2.0 openmpi/4.1.6)
cfitsio4.4.1, 4.5.0
Expand cfitsio description
Description: CFITSIO is a library of C and Fortran subroutines for reading and writing data files in FITS (Flexible Image Transport System) data format
http://heasarc.gsfc.nasa.gov/fitsio/
cgal5.5, 6.0.1
Expand cgal description
Description: The Computational Geometry Algorithms Library (CGAL) is a C++ library ; that aims to provide easy access to efficient and reliable algorithms in ; computational geometry
https://www.cgal.org/
(arch/avx512 gcc/13.2.0)
cistem1.0.0
Expand cistem description
Description: cisTEM is user-friendly software to process cryo-EM images of macromolecular complexes and obtain high-resolution 3D reconstructions from them
https://cistem.org/
(arch/avx512 gcc/13.2.0)
clhep2.4.7.1
Expand clhep description
Description: The CLHEP project is intended to be a set of HEP-specific foundation and utility classes such as random generators, physics vectors, geometry and linear algebra. CLHEP is structured in a set of packages independent of any external package
https://proj-clhep.web.cern.ch/proj-clhep/
(arch/avx512 gcc/13.2.0)
cmake3.28.4, 3.31.1
Expand cmake description
Description: A cross-platform, open-source build system
https://www.cmake.org
code-server4.99.1
Expand code-server description
Run VS Code on any machine anywhere and access it in the browser
compleasm0.2.6
Expand compleasm description
Description: Compleasm: a faster and more accurate reimplementation of BUSCO, a genomics tool
https://github.com/huangnengCSU/compleasm
cp2k2024.3
Expand cp2k description
Description: CP2K is a freely available (GPL) program, written in Fortran 95, to perform atomistic and molecular simulations of solid state, liquid, molecular and biological systems. It provides a general framework for different methods such as e.g. density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW), and classical pair and many-body potentials
https://www.cp2k.org/
(arch/avx512 gcc/13.2.0 openmpi/4.1.6)
cppzmq4.10.0
Expand cppzmq description
Description: cppzmq is a C++ binding for libzmq
https://github.com/zeromq/cppzmq
crest2.12
Expand crest description
Description: CREST is an utility/driver program for the xtb program. Originally it was designed as conformer sampling program, hence the abbreviation Conformer-Rotamer Ensemble Sampling Tool, but now offers also some utility functions for calculations with the GFNn-xTB methods. Generally the program functions as an IO based OMP scheduler (i.e., calculations are performed by the xtb program) and tool for the creation and analysation of structure ensembles
https://xtb-docs.readthedocs.io/en/latest/crest.html
(arch/avx512 intel/2023.2)
ctffind4.1.14
Expand ctffind description
CTFFIND4 is a fast and accurate defocus estimation from electron micrographs
https://grigoriefflab.umassmed.edu/ctffind4
(arch/avx512 intel-one/2024.1), (cuda/12.4.1 arch/avx2 gcc/13.2.0)
cuda11.8.0, 12.2.2, 12.4.1
Expand cuda description
Description: CUDA is a parallel computing platform and programming model invented by NVIDIA
https://developer.nvidia.com/cuda-zone
(arch/avx2), (arch/avx512),
cudnn8.8.1.3+cuda-11.8.0
Expand cudnn description
Description: NVIDIA cuDNN is a GPU-accelerated library of primitives for deep neural networks
https://developer.nvidia.com/cudnn
deepvariant1.8.0, 1.8.0-gpu
Expand deepvariant description
DeepVariant is a deep learning-based variant caller that takes aligned reads (in BAM or CRAM format), produces pileup image tensors from them, classifies each tensor using a convolutional neural network, and finally reports the results in a standard VCF or gVCF file
dejagnu1.6.3
Expand dejagnu description
Description: DejaGnu is a framework for testing other programs
https://www.gnu.org/software/dejagnu/
diamond2.1.10
Expand diamond description
Description: Accelerated BLAST compatible local sequence aligner
https://github.com/bbuchfink/diamond
dlb3.5.0
Expand dlb description
Description: DLB is a dynamic library designed to speed up HPC hybrid applications by improving the load balance of the outer level of parallelism by dynamically redistributing the computational resources at the inner level of parallelism at run time
https://pm.bsc.es/dlb/
(arch/avx512 intel/2023.2 openmpi/4.1.6), (arch/avx512 gcc/13.2.0 openmpi/4.1.6)
eccodes2.31.0, 2.40.0
Expand eccodes description
Description: ecCodes is a package developed by ECMWF which provides an application programming interface and a set of tools for decoding and encoding messages in the following formats: WMO FM-92 GRIB edition 1 and edition 2, WMO FM-94 BUFR edition 3 and edition 4, WMO GTS abbreviated header (only decoding)
https://software.ecmwf.int/wiki/display/ECC/ecCodes+Home
(arch/avx512 gcc/13.2.0), (arch/avx512 gcc/11.5.0)
eigen3.4.0
Expand eigen description
; Description: Eigen is a C++ template library for linear algebra: matrices, vectors, numerical solvers, and related algorithms
https://eigen.tuxfamily.org/index.php?title=Main_Page
(arch/avx512), (cuda/12.4.1 arch/avx2 gcc/13.2.0)
esmf8.7.0
Expand esmf description
Description: The Earth System Modeling Framework (ESMF) is software for building and coupling weather, climate, and related models
http://earthsystemmodeling.org
(arch/avx512 intel/2023.2 openmpi/4.1.6)
espresso7.3.1, 7.3.1+aocl-4.2.0
Expand espresso description
Description: Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials (both norm-conserving and ultrasoft ; Description: Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials (both norm-conserving and ultrasoft)
https://www.quantum-espresso.org,
(arch/avx512 intel/2023.2 openmpi/4.1.6), (arch/avx512 gcc/13.2.0 openmpi/4.1.6)
expect5.45.4
Expand expect description
Description: Expect is a tool for automating interactive applications such as telnet, ftp, passwd, fsck, rlogin, tip, etc
http://expect.sourceforge.net/
fastqc0.12.1
Expand fastqc description
Description: FastQC is a quality control application for high throughput sequence data. It reads in sequence data in a variety of formats and can either provide an interactive application to review the results of several different QC checks, or create an HTML based report which can be integrated into a pipeline
https://www.bioinformatics.babraham.ac.uk/projects/fastqc/
feko2021.2
Expand feko description
Altair Feko high-frequency electromagnetic simulation software for Okhmatovsky group
ffmpeg7.0.2
Expand ffmpeg description
A statically build binary for ffmpeg Linux
https://johnvansickle.com/ffmpeg/
fftw3.3.10
Expand fftw description
Description: FFTW is a C subroutine library for computing the discrete Fourier transform (DFT)
http://www.fftw.org
(arch/avx512 gcc/11.5.0), (arch/avx512 gcc/9.5.0 openmpi/4.1.6), (arch/avx512 intel-one/2024.1 openmpi/4.1.6), (arch/avx512 gcc/13.2.0), (arch/avx512 gcc/13.2.0 openmpi/4.1.6), (arch/avx512 intel-one/2024.1 openmpi/5.0.6), (cuda/12.4.1 arch/avx2 gcc/13.2.0 openmpi/5.0.6), (arch/avx512 aocc/4.2.0 openmpi/4.1.6), (arch/avx512 intel-one/2024.1), (arch/avx512 gcc/13.2.0 openmpi/5.0.6), (arch/avx512 intel/2023.2 openmpi/4.1.6), (arch/avx512 aocc/4.2.0), (arch/avx512 intel/2023.2), (cuda/12.4.1 arch/avx2 gcc/13.2.0)
flex2.6.4
Expand flex description
Description: Flex is a tool for generating scanners
https://github.com/westes/flex
flexpart11
Expand flexpart description
Description: FLEXPART (FLEXible PARTicle dispersion model) is a Lagrangian transport and dispersion model suitable for the simulation of a large range of atmospheric transport processes
https://www.flexpart.eu
(arch/avx512 gcc/13.2.0)
freeglut3.4.0
Expand freeglut description
Description: freeglut is a free-software/open-source alternative to the OpenGL Utility Toolkit (GLUT) library
https://freeglut.sourceforge.net/
gate9.4
Expand gate description
Description: GATE is an advanced opensource software developed by the international OpenGATE collaboration and dedicated to the numerical simulations in medical imaging. It currently supports simulations of Emission Tomography (Positron Emission Tomography - PET and Single Photon Emission Computed Tomography - SPECT), and Computed Tomography
http://www.opengatecollaboration.org/
(arch/avx512 gcc/13.2.0)
gatk4.6.1.0
Expand gatk description
Description: The Genome Analysis Toolkit or GATK is a software package developed at the Broad Institute to analyse next-generation resequencing data. The toolkit offers a wide variety of tools, with a primary focus on variant discovery and genotyping as well as strong emphasis on data quality assurance. Its robust architecture, powerful processing engine and high-performance computing features make it capable of taking on projects of any size
http://www.broadinstitute.org/gatk/
(arch/avx512 gcc/13.2.0)
gaussiang16.b01, g16.c01
Expand gaussian description
Gaussian 16.c01 - A quantum chemistry package
gcc11.5.0, 12.3.0, 13.2.0, 8.5.0, 9.5.0
Expand gcc description
Description: The GNU Compiler Collection for C, C++, and Fortran
https://gcc.gnu.org
(arch/avx512), (cuda/11.8.0 arch/avx2), (cuda/12.4.1 arch/avx2), (cuda/12.2.2 arch/avx2), (arch/avx2)
gdal3.10.0
Expand gdal description
Description: GDAL is a translator library for raster geospatial data formats that is released under an X/MIT style Open Source license by the Open Source Geospatial Foundation. As a library, it presents a single abstract data model to the calling application for all supported formats. It also comes with a variety of useful commandline utilities for data translation and processing
https://www.gdal.org/
(arch/avx512 gcc/13.2.0)
geant411.2.2, 11.3.0
Expand geant4 description
Description: Geant4 is a toolkit for the simulation of the passage of particles through matter. Its areas of application include high energy, nuclear and accelerator physics, as well as studies in medical and space science
http://geant4.cern.ch/
(arch/avx512 gcc/13.2.0)
geos3.13.0
Expand geos description
Description: GEOS (Geometry Engine - Open Source) is a C++ port of the Java Topology Suite (JTS)
https://trac.osgeo.org/geos
(arch/avx512 gcc/13.2.0)
git2.49.0
Expand git description
Description: Git is a free and open source distributed version control system
http://git-scm.com
git-annex10.20250320
Expand git-annex description
Git-annex allows managing large files with git, without storing the file contents in git. ; It can sync, backup, and archive your data, offline and online. ; Checksums and encryption keep your data safe and secure
https://git-annex.branchable.com/
git-lfs3.6.1
Expand git-lfs description
Git Large File Storage ; Git LFS is a command line extension and specification for managing large files with Git
https://git-lfs.com/
globus3.33.1
Expand globus description
Tools to interact with Globus using the command line interface: ; - Globus CLI (https://github.com/globus/globus-cli ) ; - Globus Connect Personal (https://www.globus.org/globus-connect-personal )
https://www.globus.org/
glost0.3.1
Expand glost description
Description: This is GLOST, the Greedy Launcher Of Small Tasks
https://github.com/cea-hpc/glost
(arch/avx512 gcc/13.2.0 openmpi/4.1.6), (arch/avx512 intel/2023.2 openmpi/4.1.6)
glpk5.0
Expand glpk description
Description: The GLPK (GNU Linear Programming Kit) package is intended for solving large-scale linear programming (LP), mixed integer programming (MIP), and other related problems. It is a set of routines written in ANSI C and organized in the form of a callable library
https://www.gnu.org/software/glpk/
(arch/avx512 intel/2023.2), (arch/avx512 gcc/13.2.0), (arch/avx512 gcc/9.5.0)
gmp6.2.1, 6.3.0
Expand gmp description
Description: GMP is a free library for arbitrary precision arithmetic, operating on signed integers, rational numbers, and floating point numbers
https://gmplib.org/
(arch/avx512 gcc/13.2.0), (arch/avx512), (cuda/12.4.1 arch/avx2 gcc/13.2.0)
gnina1.1, 2024
Expand gnina description
gnina (pronounced NEE-na) is a molecular docking program with integrated support for scoring and optimizing ligands using convolutional neural networks
https://github.com/gnina/gnina
gnuplot5.4.2, 6.0.2
Expand gnuplot description
Description: Gnuplot is a portable command-line driven graphing utility for Linux, OS/2, MS Windows, OSX, VMS, and many other platforms
http://www.gnuplot.info
golang1.24.2
Expand golang description
Go is an opensource programming language supported by Google
grace5.99.0
Expand grace description
Description: Grace is a WYSIWYG 2D plotting tool for X Windows System and Motif
http://freecode.com/projects/grace
(arch/avx512 gcc/13.2.0)
gromacs2021.6, 2022, 2023.3, 2024.1
Expand gromacs description
Description: GROMACS (GROningen MAchine for Chemical Simulations) is a molecular dynamics package primarily designed for simulations of proteins, lipids and nucleic acids
http://www.gromacs.org
(arch/avx512 gcc/11.5.0 openmpi/4.1.6), (arch/avx512 aocc/4.2.0 openmpi/4.1.6), (cuda/12.4.1 arch/avx2 gcc/13.2.0 openmpi/4.1.6), (cuda/12.4.1 arch/avx2 gcc/13.2.0), (arch/avx512 gcc/13.2.0 openmpi/4.1.6)
gsl2.7
Expand gsl description
Description: The GNU Scientific Library (GSL) is a numerical library for C and C++ programmers
http://www.gnu.org/software/gsl
(arch/avx2 gcc/13.2.0), (arch/avx512 gcc/13.2.0), (arch/avx512 intel-one/2024.1), (arch/avx512 intel/2023.2), (cuda/12.4.1 arch/avx2 gcc/13.2.0), (arch/avx512 gcc/9.5.0)
hdf51.10.9, 1.12.3, 1.14.2, 1.14.6
Expand hdf5 description
Description: HDF5 is a data model, library, and file format for storing and managing data
https://portal.hdfgroup.org
(arch/avx512 gcc/9.5.0), (arch/avx512 gcc/13.2.0), (arch/avx512 intel/2023.2 openmpi/4.1.6), (arch/avx512 gcc/13.2.0 openmpi/4.1.6), (arch/avx512 intel/2023.2), (arch/avx512 intel-one/2024.1 openmpi/4.1.6), (arch/avx512 gcc/13.2.0 openmpi/5.0.6), (arch/avx512 intel-one/2024.1), (cuda/12.4.1 arch/avx2 gcc/13.2.0 openmpi/5.0.6), (cuda/12.4.1 arch/avx2 gcc/13.2.0), (cuda/12.4.1 arch/avx2 gcc/12.3.0), (cuda/12.4.1 arch/avx2 gcc/13.2.0 openmpi/4.1.6), (arch/avx512 intel-one/2024.1 openmpi/5.0.6), (arch/avx512 intel/2023.2 intelmpi/2021.10), (arch/avx512 gcc/11.5.0)
highfive2.10.1
Expand highfive description
Description: HighFive is a modern header-only C++11 friendly interface for libhdf5
https://github.com/BlueBrain/HighFive
(arch/avx512 gcc/13.2.0 openmpi/4.1.6)
hisat22.2.1
Expand hisat2 description
Description: HISAT2 is a fast and sensitive alignment program for mapping next-generation sequencing reads (both DNA and RNA) against the general human population (as well as against a single reference genome)
https://daehwankimlab.github.io/hisat2/
(arch/avx512 gcc/13.2.0)
hmmer3.4
Expand hmmer description
Description: HMMER is used for searching sequence databases for homologs of protein sequences, and for making protein sequence alignments. It implements methods using probabilistic models called profile hidden Markov models (profile HMMs)
http://hmmer.org/
htgettoken2.0-2
Expand htgettoken description
htgettoken gets OIDC bearer tokens by interacting with Hashicorp vault
https://github.com/fermitools/htgettoken
imb2021.7
Expand imb description
; IMB is Intel suite for MPI benchmarks. ; This module only includes classic C benchmarks that can be built by most of compilers. ; ; ; IMB is Intel suite for MPI benchmarks. ; This module only includes classic C benchmarks that can be built by most of compilers
https://github.com/intel/mpi-benchmarks,
(arch/avx512 gcc/13.2.0 openmpi/4.1.6), (arch/avx2 intel/2023.2 intelmpi/2021.10), (arch/avx512 intel/2023.2 intelmpi/2021.10)
intel2019.5, 2023.2
Expand intel description
; Description: Intel compilers for C, C++, and Fortran ; ; Description: Intel compilers for C, C++, and Fortran
https://software.intel.com/en-us/parallel-studio-xe
(arch/avx512), (arch/avx2)
intel-one2023.2, 2024.1
Expand intel-one description
; Description: Intel compilers for C, C++, and Fortran from New OneAPI suite ; ; ; Description: Intel compilers for C, C++, and Fortran from New OneAPI suite
https://software.intel.com/content/www/us/en/develop/tools/oneapi.html
, (arch/avx512)
intelmpi2019.8, 2021.10
Expand intelmpi description
Description: Intel MPI library with compiler wrappers for C, C++, and Fortran
https://software.intel.com/en-us/intel-mpi-library
(arch/avx512 gcc/13.2.0), (arch/avx2 intel/2023.2), , (arch/avx512 gcc/11.5.0), (arch/avx2 gcc/13.2.0), (arch/avx512 intel/2023.2), (arch/avx512 intel-one/2024.1)
jags4.3.2+mkl-2019.5
Expand jags description
Description: JAGS is Just Another Gibbs Sampler. It is a program for analysis of Bayesian hierarchical models using Markov Chain Monte Carlo (MCMC) simulation
http://mcmc-jags.sourceforge.net/
(arch/avx512 gcc/13.2.0)
jasper4.0.0
Expand jasper description
Description: The JasPer Project is an open-source initiative to provide a free software-based reference implementation of the codec specified in the JPEG-2000 Part-1 standard
https://www.ece.uvic.ca/~frodo/jasper/
(arch/avx512 gcc/11.5.0), (arch/avx512 gcc/13.2.0)
jellyfish2.3.1
Expand jellyfish description
Description: Jellyfish is a tool for fast, memory-efficient counting of k-mers in DNA
http://www.genome.umd.edu/jellyfish.html
jemalloc5.3.0
Expand jemalloc description
Description: jemalloc is a general purpose malloc(3) implementation that emphasizes fragmentation avoidance and scalable concurrency support
http://jemalloc.net
jq1.7
Expand jq description
Description: jq is a lightweight and flexible command-line JSON processor
https://stedolan.github.io/jq/
julia1.10.3, 1.11.3
Expand julia description
Description: The Julia Language: A fresh approach to technical computing
http://julialang.org
kim2.3.0
Expand kim description
Open Knowledgebase of Interatomic Models (KIM)
(arch/avx512 gcc/13.2.0), (arch/avx2 gcc/13.2.0), (arch/avx512 intel-one/2024.1), (cuda/12.4.1 arch/avx2 gcc/13.2.0)
kokkos4.4.01
Expand kokkos description
KOKKOS is a portable, hardware agnostic layer for writing C++ HPC applications
(cuda/12.4.1 arch/avx2 gcc/13.2.0)
lammps2021-09-29, 2024-08-29p1, 2024-08-29p1-nep
Expand lammps description
Description: LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel Simulator
http://www.lammps.org/
(arch/avx512 intel-one/2024.1 openmpi/4.1.6), (arch/avx512 gcc/13.2.0 openmpi/4.1.6), (cuda/12.4.1 arch/avx2 gcc/13.2.0 openmpi/4.1.6)
libaec1.0.6
Expand libaec description
Description: Libaec provides fast lossless compression of 1 up to 32 bit wide signed or unsigned integers (samples). The library achieves best results for low entropy data as often encountered in space imaging instrument data or numerical model output from weather or climate simulations. While floating point representations are not directly supported, they can also be efficiently coded by grouping exponents and mantissa
https://gitlab.dkrz.de/k202009/libaec
libint-cp2k2.6
Expand libint-cp2k description
Description: Libint library is used to evaluate the traditional (electron repulsion) and certain novel two-body matrix elements (integrals) over Cartesian Gaussian functions used in modern atomic and molecular theory
https://github.com/evaleev/libint
(arch/avx512 gcc/13.2.0)
libvori220621
Expand libvori description
libvori is a Library for Voronoi Integration written in C++
libxc5.1.5, 6.2.2
Expand libxc description
Description: Libxc is a library of exchange-correlation functionals for density-functional theory. The aim is to provide a portable, well tested and reliable set of exchange and correlation functionals
https://www.tddft.org/programs/octopus/wiki/index.php/Libxc
(arch/avx512 intel-one/2024.1), (arch/avx512 intel/2023.2), (arch/avx512 gcc/13.2.0), (arch/avx512 aocc/4.2.0)
libxml22.11.9
Expand libxml2 description
Description: libxml2 is an XML toolkit implemented in C, originally developed for the GNOME Project
https://gitlab.gnome.org/GNOME/libxml2
matlabR2020B2, R2022A, R2023B, R2024A
Expand matlab description
MATLAB, a computing environment from Mathworks
mcrR2020b, R2022a, R2023b, R2024a
Expand mcr description
Description: Run MATLAB applications on computers that do not have MATLAB installed
https://www.mathworks.com/help/compiler/matlab-runtime.html
megahit1.2.9
Expand megahit description
Description: An ultra-fast single-node solution for large and complex metagenomics assembly via succinct de Bruijn graph
https://github.com/voutcn/megahit
metashape-pro2.1.3, 2.2.0
Expand metashape-pro description
Agisoft Metashape is a stand-alone software product that performs photogrammetric processing of digital images ; and generates 3D spatial data to be used in GIS applications, cultural heritage documentation, ; and visual effects production as well as for indirect measurements of objects of various scales
https://www.agisoft.com/
metis5.1.0
Expand metis description
Description: METIS is a set of serial programs for partitioning graphs, partitioning finite element meshes, and producing fill reducing orderings for sparse matrices
http://glaros.dtc.umn.edu/gkhome/metis/metis/overview
(arch/avx512 gcc/13.2.0), (arch/avx512 intel/2023.2), (arch/avx512 gcc/9.5.0)
metis325.1.0
Expand metis32 description
Description: METIS is a set of serial programs for partitioning graphs, partitioning finite element meshes, and producing fill reducing orderings for sparse matrices
http://glaros.dtc.umn.edu/gkhome/metis/metis/overview
(arch/avx512 gcc/13.2.0)
micro2.0.14
Expand micro description
micro is a simple, modern and intuitive text editor
mii1.1.1
Expand mii description
Description: A smart search engine for module environments
https://github.com/codeandkey/mii
minimap22.28
Expand minimap2 description
Minimap2 is a versatile sequence alignment program that aligns DNA or mRNA sequences against a large reference database
mkl2019.5, 2024.1
Expand mkl description
Description: Intel Math Kernel Library
https://software.intel.com/en-us/mkl
(cuda/12.4.1 arch/avx2 gcc/13.2.0), (cuda/11.8.0 arch/avx2 gcc/11.5.0), (arch/avx512 gcc/9.5.0), (arch/avx512 gcc/11.5.0), (arch/avx512 gcc/13.2.0), (arch/avx2 gcc/13.2.0)
molden7.3
Expand molden description
Description: Molden is a package for displaying Molecular Density from the Ab Initio packages GAMESS-UK, GAMESS-US and GAUSSIAN and the Semi-Empirical packages Mopac/Ampac
http://www.cmbi.ru.nl/molden/
mpfr4.2.1
Expand mpfr description
Description: The MPFR library is a C library for multiple-precision ; floating-point computations with correct rounding
https://www.mpfr.org/
(cuda/12.4.1 arch/avx2 gcc/13.2.0), (arch/avx512 gcc/13.2.0)
mumax33.10
Expand mumax3 description
Mumax3 GPU-accelerated micromagnetic simulation program for CUDA
mummer4.0.0rc1
Expand mummer description
Description: MUMmer is a system for rapidly aligning entire genomes, whether in complete or draft form. AMOS makes use of it
http://mummer.sourceforge.net/
mustang3.2.4
Expand mustang description
Description: MUSTANG (MUltiple STructural AligNment AlGorithm), for the alignment of multiple protein structures
http://www.csse.monash.edu.au/~karun/Site/mustang.html
(arch/avx512 gcc/13.2.0)
nbonbo7-2021
Expand nbo description
The Natural Bond Orbital (NBO) program NBO 7
nco5.3.1
Expand nco description
Description: The NCO toolkit manipulates and analyzes data stored in netCDF-accessible formats, including DAP, HDF4, HDF5, and, most recently, Zarr
https://nco.sourceforge.net
(arch/avx512 gcc/13.2.0)
ncview2.1.11
Expand ncview description
Description: Ncview is a visual browser for netCDF format files. Typically you would use ncview to get a quick and easy, push-button ; look at your netCDF files. You can view simple movies of the data, view along various dimensions, take a look at the actual data values, change color maps, invert the data, etc
http://meteora.ucsd.edu/~pierce/ncview_home_page.html
(arch/avx512 gcc/13.2.0)
netcdf4.9.2+hdf5-1.14.2
Expand netcdf description
Description: NetCDF (network Common Data Form) is a set of software libraries and machine-independent data formats that support the creation, access, and sharing of array-oriented scientific data
http://www.unidata.ucar.edu/software/netcdf
(arch/avx512 gcc/13.2.0), (arch/avx512 intel-one/2024.1), (arch/avx512 gcc/11.5.0), (arch/avx512 intel/2023.2), (cuda/12.4.1 arch/avx2 gcc/13.2.0)
nextflow24.10.0
Expand nextflow description
Nextflow is a reactive workflow framework and a programming DSL that eases writing computational pipelines with complex data
https://www.nextflow.io/
ninja1.10.2
Expand ninja description
Description: Ninja is a small build system with a focus on speed
https://ninja-build.org
nodejs18.20.2, 18.20.4, 18.20.5, 20.12.2, 20.15.1, 20.16.0, 20.18.1, 22.11.0, 22.4.1, 22.5.1
Expand nodejs description
Node.JS - the asynchronous server-side JavaScript language. https://nodejs.org
nvtop3.1.0
Expand nvtop description
Description: NVTOP stands for Neat Videocard TOP, a (h)top like task monitor for GPUs and accelerators. It can handle multiple GPUs and print information about them in a htop-familiar way
https://github.com/Syllo/nvtop
nwchem7.2.2, 7.2.2+aocl-4.2.0-64
Expand nwchem description
Description: NWChem is an open source high performance computing package for computational chemistry
(arch/avx512 intel-one/2024.1 openmpi/4.1.6), (arch/avx512 gcc/13.2.0 openmpi/4.1.6), (arch/avx512 aocc/4.2.0 openmpi/4.1.6)
openbabel3.1.1
Expand openbabel description
Description: Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It’s an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas
https://openbabel.org/
(arch/avx512 gcc/13.2.0)
openblas0.3.26, 0.3.28
Expand openblas description
Description: OpenBLAS: An optimized BLAS library
https://www.openblas.net
(cuda/12.4.1 arch/avx2 gcc/13.2.0), (cuda/12.4.1 arch/avx2 gcc/12.3.0), (arch/avx512 intel/2023.2), (arch/avx512 aocc/4.2.0), (arch/avx512), (arch/avx512 gcc/13.2.0), (cuda/11.8.0 arch/avx2 gcc/11.5.0)
openeye2022.2.1
Expand openeye description
OpenEye: module for R. Davis Group only
openjdk11.0.22, 17.0.11_9, 17.0.12_7, 17.0.13_11, 21.0.2, 21.0.3_9, 21.0.4_7, 21.0.5_11, 21.0.6_7
Expand openjdk description
Description: The free and opensource java implementation
https://jdk.java.net
openmpi4.1.6, 5.0.6
Expand openmpi description
Description: An open source Message Passing Interface implementation
http://www.open-mpi.org
(cuda/12.4.1 arch/avx2 gcc/13.2.0), (arch/avx512 gcc/11.5.0), (arch/avx512 gcc/9.5.0), (arch/avx2 aocc/4.2.0), (arch/avx512 gcc/13.2.0), (cuda/12.4.1 arch/avx2 gcc/12.3.0), (arch/avx512 intel-one/2024.1), (cuda/12.2.2 arch/avx2 gcc/12.3.0), (arch/avx512 aocc/4.2.0), (arch/avx512 intel/2023.2), (arch/avx2 intel/2023.2)
opennurbs8.12
Expand opennurbs description
Description: The openNURBS Initiative provides CAD, CAM, CAE, and computer graphics software developers the tools to accurately transfer 3D geometry between applications
https://github.com/mcneel/opennurbs
(arch/avx512 gcc/9.5.0), (arch/avx512 gcc/13.2.0)
openssl3.4.0
Expand openssl description
Description: OpenSSL is an open source project that provides a robust, commercial-grade, and full-featured toolkit for the Transport Layer Security (TLS) and Secure Sockets Layer (SSL) protocols
http://www.openssl.org
orca5.0.4, 6.0.1
Expand orca description
Description ; =========== ; ORCA is a flexible, efficient and easy-to-use general purpose tool for quantum ; chemistry with specific emphasis on spectroscopic properties of open-shell molecules. ; It features a wide variety of standard quantum chemical methods ranging from ; semiempirical methods to DFT to single- and multireference correlated ab initio methods. ; It can also treat environmental and relativistic effects
http://cec.mpg.de/forum/
(arch/avx512 intel/2023.2 openmpi/4.1.6), (arch/avx512 gcc/13.2.0 openmpi/4.1.6)
osu-micro-benchmarks5.7.1
Expand osu-micro-benchmarks description
Description: The Ohio MicroBenchmark suite is a collection of independent MPI message passing performance microbenchmarks developed and written at The Ohio State University
http://mvapich.cse.ohio-state.edu/benchmarks/
(arch/avx512 gcc/13.2.0 openmpi/4.1.6)
ovito3.12.0
Expand ovito description
OVITO (Open Visualization Tool) is a scientific data visualization and analysis software designed for molecular and particle-based simulation models
pandoc3.6.1
Expand pandoc description
Description: If you need to convert files from one markup format into another, pandoc is your swiss-army knife
https://pandoc.org
paraview-offscreen5.10.1
Expand paraview-offscreen description
Description: Off-screen rendering with ParaView, a scientific parallel visualizer
http://www.paraview.org
parmetis4.0.3-shared
Expand parmetis description
Description: ParMETIS is an MPI-based parallel library that implements a variety of algorithms for partitioning unstructured graphs, meshes, and for computing fill-reducing orderings of sparse matrices
http://glaros.dtc.umn.edu/gkhome/metis/parmetis/overview
(arch/avx512 intel/2023.2 openmpi/4.1.6), (arch/avx512 gcc/13.2.0 openmpi/4.1.6)
perl5.38.2, 5.40.1
Expand perl description
Description: Perl 5 is a highly capable, feature-rich programming language with over 27 years of development
http://www.perl.org
(arch/avx512), (arch/avx2)
petsc-complex3.13.3+mkl-2019.5, 3.22.2+mkl-2019.5
Expand petsc-complex description
Description: PETSc is a suite of data structures and routines for the scalable (parallel) solution of scientific applications modeled by partial differential equations
http://www.mcs.anl.gov/petsc/index.html
(arch/avx512 gcc/13.2.0 openmpi/4.1.6)
petsc-real3.13.3+mkl-2019.5, 3.22.2+mkl-2019.5
Expand petsc-real description
Description: PETSc is a suite of data structures and routines for the scalable (parallel) solution of scientific applications modeled by partial differential equations
http://www.mcs.anl.gov/petsc/index.html
(arch/avx512 gcc/13.2.0 openmpi/4.1.6)
picard3.3.0
Expand picard description
Picard: A set of tools (in Java) for working with next generation sequencing data in the BAM format
https://broadinstitute.github.io/picard/
pnetcdf1.14.0
Expand pnetcdf description
Description: Parallel netCDF: A Parallel I/O Library for NetCDF File Access
https://trac.mcs.anl.gov/projects/parallel-netcdf
(arch/avx512 gcc/13.2.0 openmpi/4.1.6), (arch/avx512 intel/2023.2 openmpi/4.1.6)
podman5.4.2
Expand podman description
Podman (the POD MANager) is a tool for managing containers and images, volumes mounted into those containers, and pods made from groups of containers
https://podman.io/
podman-compose1.3.0
Expand podman-compose description
An implementation of Compose Spec with Podman backend
https://github.com/containers/podman-compose
podman-tui1.5.0
Expand podman-tui description
Podman-tui is a terminal user interface for podman environment. ; It uses podman go bindings to communicate with local or remote podman machine (through SSH)
https://github.com/containers/podman-tui/
prodigal2.6.3
Expand prodigal description
Description: Prodigal (Prokaryotic Dynamic Programming Genefinding Algorithm) is a microbial (bacterial and archaeal) gene finding program developed at Oak Ridge National Laboratory and the University of Tennessee
https://github.com/hyattpd/Prodigal/
proj9.5.0
Expand proj description
Description: Program proj is a standard Unix filter function which converts geographic longitude and latitude coordinates into cartesian coordinates
https://proj.org
(arch/avx512 gcc/13.2.0)
prsice2.3.5
Expand prsice description
Description: PRSice (pronounced ‘precise’) is a software package for calculating, applying, evaluating and plotting the results of polygenic risk scores (PRS). PRSice can run at high-resolution to provide the best-fit PRS as well as provide results calculated at broad P-value thresholds, illustrating results corresponding to either, can thin SNPs according to linkage disequilibrium and P-value ( clumping ), and can be applied across multiple traits in a single run
https://github.com/choishingwan/PRSice/tree/master
(arch/avx512)
python3.10.14, 3.10.16, 3.11.11, 3.11.8, 3.12.9
Expand python description
Description: The Python programming language
https://www.python.org/
(arch/avx2 gcc/13.2.0), (cuda/12.4.1 arch/avx2 gcc/12.3.0), (arch/avx512 gcc/13.2.0), (cuda/12.2.2 arch/avx2 gcc/12.3.0), (arch/avx512 gcc/11.5.0), (arch/avx512 aocc/4.2.0), (arch/avx512 intel-one/2024.1), (cuda/12.4.1 arch/avx2 gcc/13.2.0), (cuda/11.8.0 arch/avx2 gcc/11.5.0), (arch/avx512 gcc/9.5.0)
qiime22024.10
Expand qiime2 description
Description: QIIME is an open-source bioinformatics pipeline for performing microbiome analysis from raw DNA sequencing data
http://qiime2.org/
qt6.7.1, 6.8.1
Expand qt description
Description: Qt is a comprehensive cross-platform C++ application framework
https://qt.io/
(arch/avx512 gcc/13.2.0)
quast5.3.0
Expand quast description
Description: QUAST is an open-source bioinformatics Quality Assessment Tool for Genome Assemblies
r4.3.3, 4.4.1+aocl-4.2.0, 4.4.1+mkl-2019.5, 4.4.1+mkl-2024.1
Expand r description
Description: R is a language and environment for statistical computing and graphics
https://www.r-project.org
(arch/avx512), (arch/avx2), (arch/avx2 gcc/13.2.0), (arch/avx512 gcc/13.2.0), (cuda/12.4.1 arch/avx2 gcc/13.2.0)
ramalama0.7.3
Expand ramalama description
RamaLama tool facilitates local management and serving of AI Models
https://github.com/containers/ramalama
ratarmount1.0.0
Expand ratarmount description
Random Access To Archived Resources (Ratarmount) ; Ratarmount collects all file positions inside a TAR so that it can easily jump to and read from any file without extracting it. ; It, then, mounts the TAR using fusepy for read access just like archivemount. ; In contrast to libarchive, on which archivemount is based, random access and true seeking is supported. ; And in contrast to tarindexer, which also collects file positions for random access, ratarmount offers easy access via FUSE and support for compressed TARs
https://github.com/mxmlnkn/ratarmount
rclone1.67.0, 1.68.2
Expand rclone description
Rclone: sync files/directories to and from a variety of online storage services
relion4.0.2, 5.0.0
Expand relion description
Description: RELION (for REgularised LIkelihood OptimisatioN) is a stand-alone computer program for Maximum. A Posteriori refinement of (multiple) 3D reconstructions or 2D class averages in cryo-electron microscopy
(arch/avx512 gcc/13.2.0 openmpi/4.1.6), (cuda/12.4.1 arch/avx2 gcc/13.2.0 openmpi/5.0.6), (arch/avx512 intel-one/2024.1 openmpi/5.0.6)
root6.32.08, 6.34.02
Expand root description
Description: The ROOT system provides a set of OO frameworks with all the functionality needed to handle and analyze large amounts of data in a very efficient way
https://root.cern.ch/drupal/
(arch/avx512 gcc/13.2.0)
rs-server2024.12.1-563
Expand rs-server description
RStudio server for use with Ondemand or Jupyter
rust1.79.0, 1.86.0
Expand rust description
Description: Rust is a systems programming language that runs blazingly fast, prevents segfaults, and guarantees thread safety
https://www.rust-lang.org
samtools1.20
Expand samtools description
Description: SAM Tools provide various utilities for manipulating alignments in the SAM format, including sorting, merging, indexing and generating alignments in a per-position format
http://www.htslib.org
(arch/avx512 gcc/13.2.0)
scipy-bundle2023+python-3.10.14, 2023+python-3.10.16, 2023+python-3.11.8
Expand scipy-bundle description
A bundle of common Python packages: Numpy, Scipy, Pandas, Matplotlib etc
(arch/avx512 gcc/13.2.0)
scons3.1.2
Expand scons description
Description: SCons is a software construction tool
http://scons.org
scotch7.0.5
Expand scotch description
Description: Software package and libraries for sequential and parallel graph partitioning, static mapping, and sparse matrix block ordering, and sequential mesh and hypergraph partitioning
https://www.labri.fr/perso/pelegrin/scotch/
(arch/avx512 gcc/13.2.0 openmpi/4.1.6), (arch/avx512 intel/2023.2 openmpi/4.1.6)
singularity4.1.2, 4.2.2
Expand singularity description
Singularity CE - Containers for HPC from sylabs.io
skopeo1.18.0
Expand skopeo description
Skopeo is a command line utility that performs various operations on container images and image repositories
https://github.com/containers/skopeo/
snp-sites2.5.1
Expand snp-sites description
Description: Extracting single nucleotide polymorphisms (SNPs) from a large whole genome alignment is now a routine task, but existing tools have failed to scale efficiently with the increased size of studies
https://github.com/sanger-pathogens/snp-sites
snpeff5.2f
Expand snpeff description
Description: SnpEff is a variant annotation and effect prediction tool. It annotates and predicts the effects of genetic variants (such as amino acid changes)
https://pcingola.github.io/SnpEff/
sparsehash2.0.4
Expand sparsehash description
Description: An extremely memory-efficient hash_map implementation. 2 bits/entry overhead! The SparseHash library contains several hash-map implementations, including implementations that optimize for space or speed
https://github.com/sparsehash/sparsehash
sqlite3.35.5
Expand sqlite description
Description: SQLite3 is an SQL database engine in a C library
https://www.sqlite.org
stata15.0-fagfs, 18.0-ffin
Expand stata description
Description: Stata 18.0 - Statistics / Data Analysis
http://www.stata.com
stringtie3.0.0
Expand stringtie description
Description: StringTie is a fast and highly efficient assembler of RNA-Seq alignments into potential transcripts
https://ccb.jhu.edu/software/stringtie/
(arch/avx512 gcc/13.2.0)
structure2.3.4
Expand structure description
Description: The program structure is a free software package for using multi-locus genotype data to investigate population structure. Its uses include inferring the presence of distinct populations, assigning individuals to populations, studying hybrid zones, identifying migrants and admixed individuals, and estimating population allele frequencies in situations where many individuals are migrants or admixed
http://web.stanford.edu/group/pritchardlab/software/
subread2.0.8
Expand subread description
Description: High performance read alignment, quantification and mutation discovery
http://subread.sourceforge.net/
subversion1.14.3
Expand subversion description
Description: Apache Subversion - an open source version control system
https://subversion.apache.org/
superlu5.3.0, 5.3.0+mkl-2019.5, 7.0.0, 7.0.0+mkl-2019.5
Expand superlu description
Description: SuperLU is a general purpose library for the direct solution of large, sparse, nonsymmetric systems of linear equations on high performance machines
http://crd-legacy.lbl.gov/~xiaoye/SuperLU/
(arch/avx512 intel/2023.2), (arch/avx512 gcc/13.2.0)
swig4.2.0
Expand swig description
Description: SWIG is a software development tool that connects programs written in C and C++ with a variety of high-level programming languages
http://www.swig.org
tbb2021.13.0
Expand tbb description
Description: Threading Building Blocks (TBB) lets you easily write parallel C++ programs that take full advantage of multicore performance, that are portable, composable and have future-proof scalability
https://github.com/oneapi-src/oneTBB
(arch/avx512 gcc/9.5.0), (arch/avx512 gcc/13.2.0), (arch/avx2 gcc/13.2.0)
tblite0.4.0
Expand tblite description
Description: Light-weight tight-binding framework
https://github.com/tblite/tblite
(arch/avx512 intel/2023.2)
trimmomatic0.39
Expand trimmomatic description
Description: Trimmomatic performs a variety of useful trimming tasks for illumina paired-end and single ended data. The selection of trimming steps and their associated parameters are supplied on the command line
http://www.usadellab.org/cms/?page=trimmomatic
udunits2.2.28
Expand udunits description
Description: A C library for units of physical quantities and a unit-definition and value-conversion utility
http://www.unidata.ucar.edu/software/udunits
(arch/avx512 gcc/13.2.0), (arch/avx2 gcc/13.2.0)
unrar7.10.2
Expand unrar description
Description: Utility used to extract RAR file archives
https://www.rarlab.com
valgrind3.24.0
Expand valgrind description
Description: An instrumentation framework for building dynamic analysis
http://valgrind.org/
(arch/avx512 gcc/9.5.0 openmpi/4.1.6), (arch/avx512 gcc/13.2.0 openmpi/4.1.6)
vasp6.1.2-sol, 6.3.2-vtst, 6.3.2-vtst-sol, 6.5.0-iyer
Expand vasp description
The Vienna Ab initio Simulation Package (VASP)
(arch/avx512 intel/2023.2 intelmpi/2021.10), (arch/avx512 gcc/13.2.0 openmpi/4.1.6), (arch/avx512 gcc/11.5.0 openmpi/4.1.6)
vaspkit1.5.1
Expand vaspkit description
Description: VASPKIT aims at providing a powerful and user-friendly interface to perform high throughput analysis of various material properties from the raw calculated data using the widely-used VASP code
https://vaspkit.com/index.html
vcftools0.1.16
Expand vcftools description
Description: A set of tools written in Perl and C++ for working with VCF files, such as those generated by the 1000 Genomes Project
https://vcftools.github.io
(arch/avx512)
velvet1.2.10
Expand velvet description
Description: Sequence assembler for very short reads
http://www.ebi.ac.uk/~zerbino/velvet/
vep113.4
Expand vep description
Description: Variant Effect Predictor (VEP) determines the effect of your variants (SNPs, insertions, deletions, CNVs or structural variants) on genes, transcripts, and protein sequence, as well as regulatory regions. Includes EnsEMBL-XS, which provides pre-compiled replacements for frequently used routines in VEP
https://www.ensembl.org/info/docs/tools/vep
vim9.1
Expand vim description
Description: Vim is a highly configurable text editor built to make creating and changing any kind of text very efficient. It is included as vi with most UNIX systems and with Apple OS X
https://www.vim.org
visit3.4.2
Expand visit description
Description: Open Source, interactive, scalable, visualization, animation and analysis tool
https://wci.llnl.gov/simulation/computer-codes/visit
voroplusplus0.4.6
Expand voroplusplus description
Description: Voro++ is a software library for carrying out three-dimensional computations of the Voronoi tessellation
http://math.lbl.gov/voro++/
vtk9.4.0
Expand vtk description
Description: The Visualization Toolkit (VTK) is an open-source, freely available software system for 3D computer graphics, image processing and visualization. VTK consists of a C++ class library and several interpreted interface layers including Tcl/Tk, Java, and Python. VTK supports a wide variety of visualization algorithms including: scalar, vector, tensor, texture, and volumetric methods; and advanced modeling techniques such as: implicit modeling, polygon reduction, mesh smoothing, cutting, contouring, and Delaunay triangulation
http://www.vtk.org
(arch/avx512 gcc/13.2.0)
wine10.0
Expand wine description
Description: Wine (originally an acronym for ‘Wine Is Not an Emulator’) is a compatibility layer capable of running Windows applications on several POSIX-compliant operating systems, such as Linux, macOS, & BSD
https://www.winehq.org/
wxwidgets3.0.2
Expand wxwidgets description
Description: wxWidgets is a C++ library that lets developers create applications for Windows, Mac OS X, Linux and other platforms with a ; single code base. It has popular language bindings for Python, Perl, Ruby and many other languages, and unlike other cross-platform toolkits, wxWidgets gives applications a truly native look and feel because it uses the platform’s native API rather than emulating the GUI
https://www.wxwidgets.org
(arch/avx512 gcc/13.2.0)
xfemm4.0
Expand xfemm description
Description: FEMM: Magnetics, Electrostatics, Heat Flow, and Current Flow
https://www.femm.info/wiki/HomePage
(arch/avx512 gcc/13.2.0)
xtb6.7.1, 6.7.1+mkl-2019.5
Expand xtb description
Description: xtb - An extended tight-binding semi-empirical program package
https://xtb-docs.readthedocs.io
(arch/avx512 intel/2023.2), (arch/avx512 gcc/13.2.0)
xz5.6.4
Expand xz description
XZ Utils provide a general-purpose data-compression library and command-line tools for xz and lzma formats
yaml-cpp0.8.0
Expand yaml-cpp description
Description: A YAML parser and emitter in C++ matching the YAML 1.2 spec
https://github.com/jbeder/yaml-cpp
yaxt0.11.3
Expand yaxt description
Description: Yet Another eXchange Tool
https://www.dkrz.de/redmine/projects/yaxt
(arch/avx512 gcc/13.2.0 openmpi/4.1.6), (arch/avx512 intel/2023.2 openmpi/4.1.6)
z34.13.4
Expand z3 description
Description: Z3 is a theorem prover from Microsoft Research with support for bitvectors, booleans, arrays, floating point numbers, strings, and other data types. This module includes z3-solver, the Python interface of Z3
https://github.com/Z3Prover/z3
zoltan3.83, 3.901
Expand zoltan description
Description: Zoltan Dynamic Load Balancing and Graph Algorithm Toolkit
https://sandialabs.github.io/Zoltan/
(arch/avx512 gcc/13.2.0 openmpi/4.1.6), (arch/avx512 intel/2023.2 openmpi/4.1.6)
zstd1.5.6
Expand zstd description
Description: Zstandard, or zstd as short version, is a fast lossless compression algorithm, targeting real-time compression scenarios at zlib-level and better compression ratios
https://facebook.github.io/zstd/