ARES software

Uwaga

W niektórych przypadkach oprogramowanie z poniższej listy może wymagać posiadania dodatkowej licencji i może nie być ogólnodostępne dla wszystkich użytkowników PLGrid.

abaqus

Finite Element Analysis software for modeling, visualization and best-in-class implicit and explicit dynamics FEA.

Versions:

Module	Default
module load abaqus/2023	✅
module load abaqus/2022	❎

abinit

ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT), using pseudopotentials and a planewave or wavelet basis.

Versions:

Module	Default
module load abinit/9.6.2-intel-2021b	✅
module load abinit/8.10.3-foss-2019b	❎

abyss

Assembly By Short Sequences - a de novo, parallel, paired-end sequence assembler

Versions:

Module	Default
module load abyss/2.3.4-foss-2021b	✅

actc

ACTC converts independent triangles into triangle strips or fans.

Versions:

Module	Default
module load actc/1.1-gcccore-11.3.0	✅
module load actc/1.1-gcccore-10.2.0	❎

adf

ADF Quantum Chemistry Package with GPGPU support (AMS)

Versions:

Module	Default
module load adf/2023.101	✅
module load adf/2022.102	❎
module load adf/2021.103	❎
module load adf/2020.103	❎
module load adf/2019.304	❎

adfrsuite

AutoDockFR (or ADFR in short) is a protein-ligand docking program developed in the Sanner laboratory at Scripps Research under the AutoDock umbrella.

Versions:

Module	Default
module load adfrsuite/1.0	✅

admixtools

.

Versions:

Module	Default
module load admixtools/7.0.2-gcc-11.2.0	✅
module load admixtools/5.1-gcc-11.2.0	❎

admixture

ADMIXTURE is a software tool for maximum likelihood estimation of individual ancestries from multilocus SNP genotype datasets. It uses the same statistical model as STRUCTURE but calculates estimates much more rapidly using a fast numerical optimization algorithm.

Versions:

Module	Default
module load admixture/1.3.0	✅

afni

AFNI is a set of C programs for processing, analyzing, and displaying functional MRI (FMRI) data - a technique for mapping human brain activity.

Versions:

Module	Default
module load afni/23.1.01-foss-2021b-python-3.9.6	✅

aimall

AIMAll is an easy to use, accurate, reliable and efficient quantum chemistry software package for performing comprehensive, quantitative and visual QTAIM analyses of molecular systems - starting from molecular wavefunction data.

Versions:

Module	Default
module load aimall/19.02.13	✅

almabte

almaBTE is a software package that solves the space- and time-dependent Boltzmann transport equation for phonons, using only ab-initio calculated quantities as inputs.

Versions:

Module	Default
module load almabte/1.3.2-foss-2021b	✅

alphafold

AlphaFold2

Versions:

Module	Default
module load alphafold/2.3.1	✅
module load alphafold/2.2.2	❎
module load alphafold/2.2.0	❎
module load alphafold/2.1.1	❎
module load alphafold/2.1.0	❎
module load alphafold/1d43aaf	❎

amber

Amber (originally Assisted Model Building with Energy Refinement) is software for performing molecular dynamics and structure prediction.

Versions:

Module	Default
module load amber/22.1-intel-2021b-ambertools-22.3-updated-cpptraj	✅
module load amber/22.1-foss-2021b-ambertools-22.3	❎
module load amber/22.0-intel-2021b-ambertools-22.3-string	❎
module load amber/22.0-intel-2021b-ambertools-22.2	❎
module load amber/22.0-foss-2021b-ambertools-22.2-cuda-11.4.1	❎
module load amber/20.12-intel-2021b-ambertools-21.12	❎
module load amber/20.12-fosscuda-2020b-ambertools-21.12	❎
module load amber/18.3-intel-2021b-ambertools-18.8-string	❎
module load amber/18.17-intel-2021b-AmberTools-19.12	❎
module load amber/18.17-fosscuda-2019b-AmberTools-19.12	❎

angsd

Program for analysing NGS data.

Versions:

Module	Default
module load angsd/0.938-gcc-11.2.0	✅

ansys

Ansys/Fluent

Versions:

Module	Default
module load ansys/2022R2	✅
module load ansys/2022R1	❎
module load ansys/2021R2	❎

ant

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.

Versions:

Module	Default
module load ant/1.10.9-java-11	❎
module load ant/1.10.7-java-11	❎
module load ant/1.10.12-java-17	✅
module load ant/1.10.11-java-11	❎

apbs

APBS is a software package for modeling biomolecular solvation through solution of the Poisson-Boltzmann equation (PBE), one of the most popular continuum models for describing electrostatic interactions between molecular solutes in salty, aqueous media.

Versions:

Module	Default
module load apbs/3.0.0	✅

aquaduct

Bundle of Python packages for scientific software

Versions:

Module	Default
module load aquaduct/1.0.11-intel-2021b	✅

aria2

aria2 is a lightweight multi-protocol & multi-source command-line download utility. It supports HTTP/HTTPS, FTP, SFTP, BitTorrent and Metalink. aria2 can be manipulated via built-in JSON-RPC and XML-RPC interfaces.

Versions:

Module	Default
module load aria2/1.36.0-gcccore-11.3.0	✅
module load aria2/1.35.0	❎

armadillo

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.

Versions:

Module	Default
module load armadillo/11.2.3-intel-2021b	✅
module load armadillo/11.2.3-foss-2021b	❎

arpack-ng

ARPACK is a collection of Fortran77 subroutines designed to solve large scale eigenvalue problems.

Versions:

Module	Default
module load arpack-ng/3.8.0-intel-2021b	✅
module load arpack-ng/3.8.0-foss-2021b	❎
module load arpack-ng/3.7.0-intel-2020a	❎

ase

ASE is a python package providing an open source Atomic Simulation Environment in the Python scripting language. From version 3.20.1 we also include the ase-ext package, it contains optional reimplementations in C of functions in ASE. ASE uses it automatically when installed.

Versions:

Module	Default
module load ase/3.22.1-intel-2021b	✅
module load ase/3.22.0-intel-2021b	❎
module load ase/3.22.0-foss-2021a	❎

aster

Versions:

Module	Default
module load aster/12.7.0	✅

at-spi2-atk

AT-SPI 2 toolkit bridge

Versions:

Module	Default
module load at-spi2-atk/2.38.0-gcccore-11.2.0	❎
module load at-spi2-atk/2.38.0-gcccore-10.2.0	❎
module load at-spi2-atk/2.38.0	✅

at-spi2-core

Assistive Technology Service Provider Interface.

Versions:

Module	Default
module load at-spi2-core/2.40.3-gcccore-11.2.0	❎
module load at-spi2-core/2.40.3	✅
module load at-spi2-core/2.38.0-gcccore-10.2.0	❎

atk

ATK provides the set of accessibility interfaces that are implemented by other toolkits and applications. Using the ATK interfaces, accessibility tools have full access to view and control running applications.

Versions:

Module	Default
module load atk/2.36.0-gcccore-11.2.0	❎
module load atk/2.36.0-gcccore-10.3.0	❎
module load atk/2.36.0-gcccore-10.2.0	❎
module load atk/2.36.0	✅

atomsk

Automake: GNU Standards-compliant Makefile generator

Versions:

Module	Default
module load atomsk/b0.11.2-foss-2021b	✅

attr

Commands for Manipulating Filesystem Extended Attributes

Versions:

Module	Default
module load attr/2.5.1-gcccore-11.2.0	✅

attrdict3

AttrDict is a Python library that provides mapping objects that allow their elements to be accessed both as keys and as attributes.

Versions:

Module	Default
module load attrdict3/2.0.2-gcccore-11.2.0	✅

augustus

AUGUSTUS is a program that predicts genes in eukaryotic genomic sequences

Versions:

Module	Default
module load augustus/3.4.0-foss-2021b	✅
module load augustus/3.4.0-foss-2020b	❎

autoconf

Autoconf is an extensible package of M4 macros that produce shell scripts to automatically configure software source code packages. These scripts can adapt the packages to many kinds of UNIX-like systems without manual user intervention. Autoconf creates a configuration script for a package from a template file that lists the operating system features that the package can use, in the form of M4 macro calls.

Versions:

Module	Default
module load autoconf/2.71-gcccore-12.2.0	❎
module load autoconf/2.71-gcccore-11.3.0	❎
module load autoconf/2.71-gcccore-11.2.0	❎
module load autoconf/2.71-gcccore-10.3.0	❎
module load autoconf/2.71	✅
module load autoconf/2.69-gcccore-9.3.0	❎
module load autoconf/2.69-gcccore-8.3.0	❎
module load autoconf/2.69-gcccore-7.3.0	❎
module load autoconf/2.69-gcccore-10.3.0	❎
module load autoconf/2.69-gcccore-10.2.0	❎
module load autoconf/2.69	❎

autodock-vina

AutoDock Vina is an open-source program for doing molecular docking.

Versions:

Module	Default
module load autodock-vina/1.2.3-foss-2021a	✅

autodock

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.

Versions:

Module	Default
module load autodock/4.2.6-gcc-10.3.0	✅
module load autodock/3.05-gcc-11.3.0	❎

automake

Automake: GNU Standards-compliant Makefile generator

Versions:

Module	Default
module load automake/1.16.5-gcccore-12.2.0	✅
module load automake/1.16.5-gcccore-11.3.0	❎
module load automake/1.16.4-gcccore-11.2.0	❎
module load automake/1.16.4	❎
module load automake/1.16.3-gcccore-10.3.0	❎
module load automake/1.16.2-gcccore-10.2.0	❎
module load automake/1.16.1-gcccore-9.3.0	❎
module load automake/1.16.1-gcccore-8.3.0	❎
module load automake/1.16.1-gcccore-7.3.0	❎
module load automake/1.15	❎
module load automake/1.14-gcccore-11.2.0	❎

autotools

This bundle collect the standard GNU build tools: Autoconf, Automake and libtool

Versions:

Module	Default
module load autotools/20220317-gcccore-12.2.0	✅
module load autotools/20220317-gcccore-11.3.0	❎
module load autotools/20210726-gcccore-11.2.0	❎
module load autotools/20210726	❎
module load autotools/20210128-gcccore-10.3.0	❎
module load autotools/20200321-gcccore-10.2.0	❎
module load autotools/20180311-gcccore-9.3.0	❎
module load autotools/20180311-gcccore-8.3.0	❎
module load autotools/20180311-gcccore-7.3.0	❎
module load autotools/20150215	❎

bader

A fast algorithm for doing Bader's analysis on a charge density grid.

Versions:

Module	Default
module load bader/1.04-intel-compilers-2021.4.0	✅
module load bader/1.04-iccifort-2020.4.304	❎

bagel

BAGEL (Brilliantly Advanced General Electronic-structure Library) is a parallel electronic-structure program.

Versions:

Module	Default
module load bagel/1.2.2-gomkl-2021b	✅

bagua

ASE is a python package providing an open source Atomic Simulation Environment in the Python scripting language. From version 3.20.1 we also include the ase-ext package, it contains optional reimplementations in C of functions in ASE. ASE uses it automatically when installed.

Versions:

Module	Default
module load bagua/0.9.0-foss-2021a-cuda-11.3.1	✅

bamtools

BamTools provides both a programmer's API and an end-user's toolkit for handling BAM files.

Versions:

Module	Default
module load bamtools/2.5.2-gcc-11.2.0	✅
module load bamtools/2.5.1-iccifort-2020.4.304	❎
module load bamtools/2.5.1-gcc-9.3.0	❎
module load bamtools/2.5.1-gcc-10.2.0	❎

bazel

Bazel is a build tool that builds code quickly and reliably. It is used to build the majority of Google's software.

Versions:

Module	Default
module load bazel/5.3.0-gcccore-11.2.0	✅
module load bazel/5.1.1-gcccore-11.3.0	❎
module load bazel/5.1.1-gcccore-11.2.0	❎
module load bazel/3.7.2-gcccore-11.2.0	❎
module load bazel/3.7.2-gcccore-10.3.0	❎
module load bazel/3.7.2-gcccore-10.2.0	❎

bbftp

bbFTP is a file transfer software. It implements its own transfer protocol, which is optimized for large files (larger than 2GB) and secure as it does not read the password in a file and encrypts the connection information. bbFTP main features are: Encoded username and password at connection SSH and Certificate authentication modules Multi-stream transfer Big windows as defined in RFC1323 On-the-fly data compression Automatic retry Customizable time-outs Transfer simulation AFS authentication integration RFIO interface

Versions:

Module	Default
module load bbftp/3.2.1-gcccore-11.2.0	✅

bcftools

Samtools is a suite of programs for interacting with high-throughput sequencing data. BCFtools - Reading/writing BCF2/VCF/gVCF files and calling/filtering/summarising SNP and short indel sequence variants

Versions:

Module	Default
module load bcftools/1.14-gcc-11.2.0	✅
module load bcftools/1.12-gcc-9.3.0	❎
module load bcftools/1.12-gcc-10.2.0	❎
module load bcftools/1.11-gcc-10.2.0	❎

bcl2fastq2

bcl2fastq Conversion Software both demultiplexes data and converts BCL files generated by Illumina sequencing systems to standard FASTQ file formats for downstream analysis.

Versions:

Module	Default
module load bcl2fastq2/2.20.0-gcc-11.2.0	✅

beagle-lib

beagle-lib is a high-performance library that can perform the core calculations at the heart of most Bayesian and Maximum Likelihood phylogenetics packages.

Versions:

Module	Default
module load beagle-lib/4.0.0-intel-compilers-2021.4.0	✅

beautifulsoup

Beautiful Soup is a Python library designed for quick turnaround projects like screen-scraping.

Versions:

Module	Default
module load beautifulsoup/4.10.0-gcccore-11.3.0	✅

bedtools

BEDTools: a powerful toolset for genome arithmetic. The BEDTools utilities allow one to address common genomics tasks such as finding feature overlaps and computing coverage. The utilities are largely based on four widely-used file formats: BED, GFF/GTF, VCF, and SAM/BAM.

Versions:

Module	Default
module load bedtools/2.30.0-iccifort-2020.4.304	✅

beef

BEEF is a library-based implementation of the Bayesian Error Estimation Functional, suitable for linking against by Fortran- or C-based DFT codes. A description of BEEF can be found at http://dx.doi.org/10.1103/PhysRevB.85.235149.

Versions:

Module	Default
module load beef/0.1.1-intel-compilers-2021.4.0	✅
module load beef/0.1.1-iccifort-2020.4.304	❎

binutils

binutils: GNU binary utilities

Versions:

Module	Default
module load binutils/2.39-gcccore-12.2.0	❎
module load binutils/2.39	✅
module load binutils/2.38-gcccore-11.3.0	❎
module load binutils/2.38	❎
module load binutils/2.37-gcccore-11.2.0	❎
module load binutils/2.37	❎
module load binutils/2.36.1-gcccore-10.3.0	❎
module load binutils/2.36.1	❎
module load binutils/2.35-gcccore-10.2.0	❎
module load binutils/2.35	❎
module load binutils/2.34-gcccore-9.3.0	❎
module load binutils/2.34	❎
module load binutils/2.32-gcccore-8.3.0	❎
module load binutils/2.32	❎
module load binutils/2.30-gcccore-7.3.0	❎
module load binutils/2.30	❎
module load binutils/2.28	❎
module load binutils/2.25	❎

bio-searchio-hmmer

Code to parse output from hmmsearch, hmmscan, phmmer and nhmmer, compatible with both version 2 and version 3 of the HMMER package from http://hmmer.org.

Versions:

Module	Default
module load bio-searchio-hmmer/1.7.3-gcc-10.3.0	✅

biobb

Pysam is a python module for reading and manipulating Samfiles. It's a lightweight wrapper of the samtools C-API. Pysam also includes an interface for tabix.

Versions:

Module	Default
module load biobb/3.9.0-foss-2021b	✅

bioperl

Bioperl is the product of a community effort to produce Perl code which is useful in biology. Examples include Sequence objects, Alignment objects and database searching objects.

Versions:

Module	Default
module load bioperl/1.7.8-gcccore-10.3.0	✅
module load bioperl/1.7.8-gcccore-10.2.0	❎

biopython

Biopython is a set of freely available tools for biological computation written in Python by an international team of developers. It is a distributed collaborative effort to develop Python libraries and applications which address the needs of current and future work in bioinformatics.

Versions:

Module	Default
module load biopython/1.79-intel-2021b	✅
module load biopython/1.79-foss-2021b	❎
module load biopython/1.78-intel-2020b	❎
module load biopython/1.78-foss-2020b	❎

bison

Bison is a general-purpose parser generator that converts an annotated context-free grammar into a deterministic LR or generalized LR (GLR) parser employing LALR(1) parser tables.

Versions:

Module	Default
module load bison/3.8.2-gcccore-12.2.0	❎
module load bison/3.8.2-gcccore-11.3.0	❎
module load bison/3.8.2	✅
module load bison/3.7.6-gcccore-11.2.0	❎
module load bison/3.7.6-gcccore-10.3.0	❎
module load bison/3.7.6	❎
module load bison/3.7.1-gcccore-10.2.0	❎
module load bison/3.7.1	❎
module load bison/3.5.3-gcccore-9.3.0	❎
module load bison/3.5.3	❎
module load bison/3.3.2-gcccore-8.3.0	❎
module load bison/3.3.2	❎
module load bison/3.0.5-gcccore-7.3.0	❎
module load bison/3.0.4-gcccore-7.3.0	❎
module load bison/3.0.4	❎

blast+

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.

Versions:

Module	Default
module load blast+/2.2.31	❎
module load blast+/2.12.0-gompi-2021b	✅
module load blast+/2.11.0-gompi-2021a	❎
module load blast+/2.11.0-gompi-2020b	❎

blender

Blender is the free and open source 3D creation suite. It supports the entirety of the 3D pipeline, modeling, rigging, animation, simulation, rendering, compositing and motion tracking, even video editing and game creation.

Versions:

Module	Default
module load blender/3.5.0-linux-x86_64-cuda-11.7.0	✅
module load blender/3.3.2-linux-x86_64-cuda-11.7.0	❎
module load blender/3.1.2-linux-x64	❎

blis

BLIS is a portable software framework for instantiating high-performance BLAS-like dense linear algebra libraries.

Versions:

Module	Default
module load blis/2.2-gcccore-10.2.0-amd	✅
module load blis/0.9.0-gcc-11.3.0	❎
module load blis/0.8.0-gcccore-10.2.0	❎

blitz++

Blitz++ is a (LGPLv3+) licensed meta-template library for array manipulation in C++ with a speed comparable to Fortran implementations, while preserving an object-oriented interface

Versions:

Module	Default
module load blitz++/1.0.2-gcccore-9.3.0	❎
module load blitz++/1.0.2-gcccore-11.2.0	✅

boltztrap2

BoltzTraP2 is a modern implementation of the smoothed Fourier interpolation algorithm for electronic bands that formed the base of the original and widely used BoltzTraP code.

Versions:

Module	Default
module load boltztrap2/22.6.1	✅

boost.python

Boost.Python is a C++ library which enables seamless interoperability between C++ and the Python programming language.

Versions:

Module	Default
module load boost.python/1.77.0-gcc-11.2.0-python-2.7.18	❎
module load boost.python/1.77.0-gcc-11.2.0	✅
module load boost.python/1.76.0-gcc-10.3.0	❎
module load boost.python/1.71.0-gompi-2019b	❎

boost

Boost provides free peer-reviewed portable C++ source libraries.

Versions:

Module	Default
module load boost/1.79.0-gcc-11.3.0	✅
module load boost/1.79.0-gcc-11.2.0	❎
module load boost/1.77.0-intel-compilers-2021.4.0	❎
module load boost/1.77.0-gcc-11.2.0	❎
module load boost/1.76.0-intel-compilers-2021.2.0	❎
module load boost/1.76.0-gcc-10.3.0	❎
module load boost/1.75.0-gcc-11.2.0	❎
module load boost/1.74.0-iomkl-2021a	❎
module load boost/1.74.0-intel-2021a	❎
module load boost/1.74.0-iccifort-2020.4.304	❎
module load boost/1.74.0-gcc-10.3.0	❎
module load boost/1.74.0-gcc-10.2.0	❎
module load boost/1.72.0-iimpi-2020a	❎
module load boost/1.71.0-gompi-2019b	❎
module load boost/1.66.0-intel-2021b	❎
module load boost/1.66.0-foss-2021b	❎
module load boost/1.64.0-gcc-10.3.0	❎

bowtie

Bowtie is an ultrafast, memory-efficient short read aligner. It aligns short DNA sequences (reads) to the human genome.

Versions:

Module	Default
module load bowtie/1.3.0-gcc-10.3.0	✅
module load bowtie/1.3.0-gcc-10.2.0	❎

bowtie2

Bowtie 2 is an ultrafast and memory-efficient tool for aligning sequencing reads to long reference sequences. It is particularly good at aligning reads of about 50 up to 100s or 1,000s of characters, and particularly good at aligning to relatively long (e.g. mammalian) genomes. Bowtie 2 indexes the genome with an FM Index to keep its memory footprint small: for the human genome, its memory footprint is typically around 3.2 GB. Bowtie 2 supports gapped, local, and paired-end alignment modes.

Versions:

Module	Default
module load bowtie2/2.4.4-gcc-11.2.0	✅
module load bowtie2/2.4.4-gcc-10.3.0	❎

brotli

Brotli is a generic-purpose lossless compression algorithm that compresses data using a combination of a modern variant of the LZ77 algorithm, Huffman coding and 2nd order context modeling, with a compression ratio comparable to the best currently available general-purpose compression methods. It is similar in speed with deflate but offers more dense compression. The specification of the Brotli Compressed Data Format is defined in RFC 7932.

Versions:

Module	Default
module load brotli/1.0.9-gcccore-11.3.0	❎
module load brotli/1.0.9-gcccore-11.2.0	❎
module load brotli/1.0.9	✅

bufrlib

NCEP BUFRLIB software to encode or decode BUFR messages. It is not intended to be a primer on the BUFR code form itself.

Versions:

Module	Default
module load bufrlib/11.3.0.2-gcc-11.2.0	✅

busco

BUSCO: assessing genome assembly and annotation completeness with single-copy orthologs

Versions:

Module	Default
module load busco/5.1.2-foss-2021b	✅

bwa

Burrows-Wheeler Aligner (BWA) is an efficient program that aligns relatively short nucleotide sequences against a long reference sequence such as the human genome.

Versions:

Module	Default
module load bwa/0.7.17-iccifort-2020.4.304	✅

bzip2

bzip2 is a freely available, patent free, high-quality data compressor. It typically compresses files to within 10% to 15% of the best available techniques (the PPM family of statistical compressors), whilst being around twice as fast at compression and six times faster at decompression.

Versions:

Module	Default
module load bzip2/1.0.8-lustre	❎
module load bzip2/1.0.8-gcccore-9.3.0	❎
module load bzip2/1.0.8-gcccore-8.3.0	❎
module load bzip2/1.0.8-gcccore-12.2.0	❎
module load bzip2/1.0.8-gcccore-11.3.0	❎
module load bzip2/1.0.8-gcccore-11.2.0	❎
module load bzip2/1.0.8-gcccore-10.3.0	❎
module load bzip2/1.0.8-gcccore-10.2.0	❎
module load bzip2/1.0.8	✅
module load bzip2/1.0.6-gcccore-9.3.0	❎

c-ares

c-ares is a C library for asynchronous DNS requests (including name resolves)

Versions:

Module	Default
module load c-ares/1.18.1-gcccore-11.3.0	✅
module load c-ares/1.18.1-gcccore-11.2.0	❎

cairo

Cairo is a 2D graphics library with support for multiple output devices. Currently supported output targets include the X Window System (via both Xlib and XCB), Quartz, Win32, image buffers, PostScript, PDF, and SVG file output. Experimental backends include OpenGL, BeOS, OS/2, and DirectFB

Versions:

Module	Default
module load cairo/1.17.4-gcccore-11.3.0	✅
module load cairo/1.16.0-gcccore-11.2.0	❎
module load cairo/1.16.0-gcccore-10.3.0	❎
module load cairo/1.16.0-gcccore-10.2.0	❎
module load cairo/1.16.0	❎

calculix

A Free Software Three-Dimensional Structural Finite Element Program

Versions:

Module	Default
module load calculix/2.20-gcccore-11.2.0-precice-2.5.0	❎
module load calculix/2.20-gcccore-11.2.0	✅
module load calculix/2.19-gcccore-11.2.0	❎

canu

Canu is a fork of the Celera Assembler designed for high-noise single-molecule sequencing

Versions:

Module	Default
module load canu/2.2-gcccore-11.2.0	✅

castep

CASTEP is a leading code for calculating the properties of materials from first principles. Using density functional theory, it can simulate a wide range of properties of materials proprieties including energetics, structure at the atomic level, vibrational properties, electronic response properties etc. In particular it has a wide range of spectroscopic features that link directly to experiment, such as infra-red and Raman spectroscopies, NMR, and core level spectra.

Versions:

Module	Default
module load castep/22.11-intel-2021b	✅
module load castep/19.11-intel-2021a	❎

caver

Software tool for protein analysis

Versions:

Module	Default
module load caver/3.0.2	✅

ccache

Ccache (or “ccache”) is a compiler cache. It speeds up recompilation by caching previous compilations and detecting when the same compilation is being done again

Versions:

Module	Default
module load ccache/4.6.1-gcccore-11.2.0	✅

cclib

cclib is a Python library that provides parsers for computational chemistry log files. It also provides a platform to implement algorithms in a package-independent manner.

Versions:

Module	Default
module load cclib/1.7.2-foss-2021b	✅

cfitsio

CFITSIO is a library of C and Fortran subroutines for reading and writing data files in FITS (Flexible Image Transport System) data format.

Versions:

Module	Default
module load cfitsio/3.49-gcccore-11.2.0	✅

cfour

CFOUR (Coupled-Cluster techniques for Computational Chemistry) is a program package for performing high-level quantum chemical calculations on atoms and molecules.

Versions:

Module	Default
module load cfour/2.1-intel-compilers-2021.4.0-omp	✅

cgal

The goal of the CGAL Open Source Project is to provide easy access to efficient and reliable geometric algorithms in the form of a C++ library.

Versions:

Module	Default
module load cgal/4.14.3-iimpi-2021a	✅
module load cgal/4.14.3-gompi-2022a	❎
module load cgal/4.14.3-gompi-2021b	❎
module load cgal/4.14.3-gompi-2021a	❎

check

Check is a unit testing framework for C. It features a simple interface for defining unit tests, putting little in the way of the developer. Tests are run in a separate address space, so both assertion failures and code errors that cause segmentation faults or other signals can be caught. Test results are reportable in the following: Subunit, TAP, XML, and a generic logging format.

Versions:

Module	Default
module load check/0.15.2-gcccore-10.2.0	✅

chemps2

CheMPS2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry.

Versions:

Module	Default
module load chemps2/1.8.9-intel-2020b	❎
module load chemps2/1.8.11-foss-2021b	✅

cistem

cisTEM is user-friendly software to process cryo-EM images of macromolecular complexes and obtain high-resolution 3D reconstructions from them.

Versions:

Module	Default
module load cistem/1.0.0-beta-gcccore-10.3.0	✅

cite-seq-count

A python package that allows to count antibody TAGS from a CITE-seq and/or cell hashing experiment.

Versions:

Module	Default
module load cite-seq-count/1.4.4-foss-2021b-python-3.9.6	✅

clang

C, C++, Objective-C compiler, based on LLVM. Does not include C++ standard library -- use libstdc++ from GCC.

Versions:

Module	Default
module load clang/13.0.1-gcccore-11.2.0-cuda-11.4.1	✅
module load clang/12.0.1-gcccore-11.2.0	❎
module load clang/11.0.1-gcccore-10.2.0	❎

clanggcc

GNU Compiler Collection (GCC) based compiler toolchain, including OpenMPI for MPI support, OpenBLAS (BLAS and LAPACK support), FFTW and ScaLAPACK.

Versions:

Module	Default
module load clanggcc/12.0.1	✅

clhep

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.

Versions:

Module	Default
module load clhep/2.4.5.1-gcc-11.2.0	✅
module load clhep/2.4.4.0-gcc-10.2.0	❎

cloudcompare

3D point cloud and mesh processing software

Versions:

Module	Default
module load cloudcompare/2.12.4-foss-2021b	✅

cmake

CMake, the cross-platform, open-source build system. CMake is a family of tools designed to build, test and package software.

Versions:

Module	Default
module load cmake/3.9.1-gcccore-9.3.0	❎
module load cmake/3.24.3-gcccore-12.2.0	✅
module load cmake/3.23.1-gcccore-11.3.0	❎
module load cmake/3.22.1-gcccore-11.2.0	❎
module load cmake/3.21.1-gcccore-11.2.0	❎
module load cmake/3.21.1	❎
module load cmake/3.20.1-gcccore-10.3.0	❎
module load cmake/3.18.4-gcccore-10.2.0	❎
module load cmake/3.16.4-intel-2020a	❎
module load cmake/3.16.4-gcccore-9.3.0	❎
module load cmake/3.15.3-gcccore-8.3.0	❎

coordgenlibs

Schrodinger-developed 2D Coordinate Generation

Versions:

Module	Default
module load coordgenlibs/3.0.1-gompi-2021b	✅
module load coordgenlibs/3.0.1-gompi-2021a	❎

cosma

COSMA is a parallel, high-performance, GPU-accelerated, matrix-matrix multiplication algorithm that is communication-optimal for all combinations of matrix dimensions, number of processors and memory sizes, without the need for any parameter tuning.

Versions:

Module	Default
module load cosma/2.6.1-foss-2021b-cuda-11.4.1-nccl-2.10.3	❎
module load cosma/2.6.1-foss-2021b-cuda-11.4.1	✅

cp2k

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.

Versions:

Module	Default
module load cp2k/9.1-intel-2021a-noplumed	❎
module load cp2k/9.1-intel-2021a	❎
module load cp2k/9.1-foss-2021b-cuda-11.4.1-noplumed	❎
module load cp2k/9.1-foss-2021b-cosma-2.6.1-cuda-11.4.1-noplumed	❎
module load cp2k/9.1-foss-2021b-cosma-2.6.1-cuda-11.4.1-nccl-noplumed	❎
module load cp2k/9.1-foss-2021b	❎
module load cp2k/9.1-foss-2021a-noplumed	❎
module load cp2k/8.2-intel-2020b	❎
module load cp2k/6.1-intel-2020a	❎
module load cp2k/2023.1-foss-2021b	✅

cpmd

CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.

Versions:

Module	Default
module load cpmd/4.3-intel-2021b	✅

cppunit

CppUnit is the C++ port of the famous JUnit framework for unit testing.

Versions:

Module	Default
module load cppunit/1.15.1-gcccore-11.3.0	✅

cppy

A small C++ header library which makes it easier to write Python extension modules. The primary feature is a PyObject smart pointer which automatically handles reference counting and provides convenience methods for performing common object operations.

Versions:

Module	Default
module load cppy/1.2.1-gcccore-11.3.0	✅
module load cppy/1.1.0-gcccore-11.2.0	❎
module load cppy/1.1.0-gcccore-10.3.0	❎

crest

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.

Versions:

Module	Default
module load crest/2.11-intel-2021a	✅

cryosparc

CryoSPARC is a state of the art scientific software platform for cryo-electron microscopy (cryo-EM) used in research and drug discovery pipelines.

Versions:

Module	Default
module load cryosparc/4.1.2	✅
module load cryosparc/4.1.1-230110	❎
module load cryosparc/4.0.2	❎
module load cryosparc/4.0.1-221017	❎
module load cryosparc/3.4.0	❎
module load cryosparc/3.3.2-220824	❎

crystal17

CRYSTAL is a general-purpose program for the study of crystalline solids, and the first which has been distributed publicly.

Versions:

Module	Default
module load crystal17/1.0.2-iompi-2021b	✅
module load crystal17/1.0.2-iompi-2021a	❎

crystal23

CRYSTAL is a general-purpose program for the study of crystalline solids, and the first which has been distributed publicly.

Versions:

Module	Default
module load crystal23/1.0.1-iomkl-2021b	✅

ctffind

Program for finding CTFs of electron micrographs.

Versions:

Module	Default
module load ctffind/4.1.14-foss-2021b	✅

cuda

CUDA (formerly Compute Unified Device Architecture) is a parallel computing platform and programming model created by NVIDIA and implemented by the graphics processing units (GPUs) that they produce. CUDA gives developers access to the virtual instruction set and memory of the parallel computational elements in CUDA GPUs.

Versions:

Module	Default
module load cuda/8.0.61	❎
module load cuda/11.8.0	✅
module load cuda/11.7.0	❎
module load cuda/11.6.0	❎
module load cuda/11.4.1	❎
module load cuda/11.3.1	❎
module load cuda/11.1.1-iccifort-2020.4.304	❎
module load cuda/11.1.1-gcc-10.2.0	❎
module load cuda/11.0.2-iccifort-2020.1.217	❎
module load cuda/11.0.2-gcc-9.3.0	❎
module load cuda/10.1.243-iccifort-2019.5.281	❎
module load cuda/10.1.243	❎
module load cuda/10.0.130	❎

cudacore

CUDA (formerly Compute Unified Device Architecture) is a parallel computing platform and programming model created by NVIDIA and implemented by the graphics processing units (GPUs) that they produce. CUDA gives developers access to the virtual instruction set and memory of the parallel computational elements in CUDA GPUs.

Versions:

Module	Default
module load cudacore/11.2.2	✅
module load cudacore/11.2.1	❎
module load cudacore/11.1.1	❎
module load cudacore/11.0.2	❎

cudnn

The NVIDIA CUDA Deep Neural Network library (cuDNN) is a GPU-accelerated library of primitives for deep neural networks.

Versions:

Module	Default
module load cudnn/8.6.0.163-cuda-11.8.0	✅
module load cudnn/8.4.1.50-cuda-11.7.0	❎
module load cudnn/8.4.1.50-cuda-11.6.0	❎
module load cudnn/8.2.2.26-cuda-11.4.1	❎
module load cudnn/8.2.1.32-cuda-11.3.1	❎
module load cudnn/8.1.0.77-cuda-11.2.1	❎
module load cudnn/8.1.0.77-cuda-11.1.1	❎
module load cudnn/8.0.4.30-cuda-11.1.1	❎
module load cudnn/7.6.4.38-cuda-10.0.130	❎
module load cudnn/7.4.2.24-cuda-10.0.130	❎

cunit

Automated testing framework for C.

Versions:

Module	Default
module load cunit/2.1-3-gcccore-11.2.0	✅

curl

libcurl is a free and easy-to-use client-side URL transfer library, supporting DICT, FILE, FTP, FTPS, Gopher, HTTP, HTTPS, IMAP, IMAPS, LDAP, LDAPS, POP3, POP3S, RTMP, RTSP, SCP, SFTP, SMTP, SMTPS, Telnet and TFTP. libcurl supports SSL certificates, HTTP POST, HTTP PUT, FTP uploading, HTTP form based upload, proxies, cookies, user+password authentication (Basic, Digest, NTLM, Negotiate, Kerberos), file transfer resume, http proxy tunneling and more.

Versions:

Module	Default
module load curl/7.86.0-gcccore-12.2.0	✅
module load curl/7.83.0-gcccore-11.3.0	❎
module load curl/7.78.0-gcccore-11.2.0	❎
module load curl/7.78.0	❎
module load curl/7.76.0-gcccore-10.3.0	❎
module load curl/7.72.0-gcccore-11.2.0	❎
module load curl/7.72.0-gcccore-10.2.0	❎
module load curl/7.69.1-gcccore-9.3.0	❎
module load curl/7.66.0-gcccore-8.3.0	❎

cutadapt

Cutadapt finds and removes adapter sequences, primers, poly-A tails and other types of unwanted sequence from your high-throughput sequencing reads.

Versions:

Module	Default
module load cutadapt/3.5-gcccore-11.2.0	✅

dalton

The Dalton code is a powerful tool for a wide range of molecular properties at different levels of theory. Any published work arising from use of one of the Dalton2016 programs must acknowledge that by a proper reference, https://www.daltonprogram.org/www/citation.html.

Versions:

Module	Default
module load dalton/2020.0-foss-2021b-smp	❎
module load dalton/2020.0-foss-2021b	✅

dapl

Mellanox OpenFabrics Enterprise Distribution for Linux (MLNX_OFED)

Versions:

Module	Default
module load dapl/2.1.10.1	✅

db

Berkeley DB enables the development of custom data management solutions, without the overhead traditionally associated with such custom projects.

Versions:

Module	Default
module load db/18.1.40-gcccore-12.2.0	❎
module load db/18.1.40-gcccore-11.3.0	❎
module load db/18.1.40-gcccore-11.2.0	❎
module load db/18.1.40-gcccore-10.3.0	❎
module load db/18.1.40-gcccore-10.2.0	❎
module load db/18.1.40	✅
module load db/18.1.32-gcccore-9.3.0	❎
module load db/18.1.32-gcccore-8.3.0	❎

db_file

Perl5 access to Berkeley DB version 1.x.

Versions:

Module	Default
module load db_file/1.856-gcccore-10.3.0	✅
module load db_file/1.855-gcccore-10.2.0	❎

dbcsr

DBCSR is a standalone sparse matrix library designed to efficiently perform sparse matrix matrix multiplication, among other operations. It is MPI and OpenMP parallel, and can exploit accelerators.

Versions:

Module	Default
module load dbcsr/2.2.0-intel-2021a	✅

dbus-glib

D-Bus is a message bus system, a simple way for applications to talk to one another.

Versions:

Module	Default
module load dbus-glib/0.112-gcccore-11.2.0	✅

dbus

D-Bus is a message bus system, a simple way for applications to talk to one another. In addition to interprocess communication, D-Bus helps coordinate process lifecycle; it makes it simple and reliable to code a "single instance" application or daemon, and to launch applications and daemons on demand when their services are needed.

Versions:

Module	Default
module load dbus/1.14.0-gcccore-11.3.0	✅
module load dbus/1.13.18-gcccore-11.2.0	❎
module load dbus/1.13.18-gcccore-10.3.0	❎
module load dbus/1.13.18-gcccore-10.2.0	❎
module load dbus/1.13.18	❎

deepdiff

DeepDiff: Deep Difference of dictionaries, iterables and almost any other object recursively.

Versions:

Module	Default
module load deepdiff/5.0.2-gcccore-11.2.0-python-3.9.6	✅
module load deepdiff/5.0.2-gcccore-10.2.0-python-3.8.6	❎

dendropy

A Python library for phylogenetics and phylogenetic computing: reading, writing, simulation, processing and manipulation of phylogenetic trees (phylogenies) and characters.

Versions:

Module	Default
module load dendropy/4.5.2-gcccore-11.2.0	✅
module load dendropy/4.5.2-gcccore-10.2.0	❎

dftb+

DFTB+ is a fast and efficient versatile quantum mechanical simulation package. It is based on the Density Functional Tight Binding (DFTB) method, containing almost all of the useful extensions which have been developed for the DFTB framework so far. Using DFTB+ you can carry out quantum mechanical simulations like with ab-initio density functional theory based packages, but in an approximate way gaining typically around two order of magnitude in speed.

Versions:

Module	Default
module load dftb+/22.2-intel-2021a	✅
module load dftb+/21.2-intel-2021a	❎

dftd3-lib

This is a repackaged version of the DFTD3 program by S. Grimme and his coworkers. The original program (V3.1 Rev 1) was downloaded at 2016-04-03. It has been converted to free format and encapsulated into modules.

Versions:

Module	Default
module load dftd3-lib/0.9-intel-compilers-2021.4.0	✅
module load dftd3-lib/0.9-intel-compilers-2021.2.0	❎

dftd4

This is a repackaged version of the DFTD3 program by S. Grimme and his coworkers. The original program (V3.1 Rev 1) was downloaded at 2016-04-03. It has been converted to free format and encapsulated into modules.

Versions:

Module	Default
module load dftd4/3.4.0-intel-2021b	✅

dill

dill extends python's pickle module for serializing and de-serializing python objects to the majority of the built-in python types. Serialization is the process of converting an object to a byte stream, and the inverse of which is converting a byte stream back to on python object hierarchy.

Versions:

Module	Default
module load dill/0.3.6-gcccore-11.3.0	✅

dirac

DIRAC: Program for Atomic and Molecular Direct Iterative Relativistic All-electron Calculations

Versions:

Module	Default
module load dirac/23.0-intel-2021b	✅
module load dirac/22.0-intel-2021b	❎
module load dirac/21.1-intel-2021a-python-2.7.18-mpi-int64	❎
module load dirac/21.1-intel-2021a-python-2.7.18-int64	❎

dl_monte

DL_MONTE: open-source software for applying Monte Carlo molecular simulation to a wide range of systems.

Versions:

Module	Default
module load dl_monte/2.07-intel-2021b	✅

dl_poly_4

DL_POLY is a general purpose classical molecular dynamics (MD) simulation software

Versions:

Module	Default
module load dl_poly_4/5.0.0-intel-2021b	✅

dl_poly_classic

DL_POLY Classic is a general purpose (parallel and serial) molecular dynamics simulation package.

Versions:

Module	Default
module load dl_poly_classic/1.10-intel-2021b	✅

docopt.cpp

docopt.cpp: A C++11 Port

Versions:

Module	Default
module load docopt.cpp/0.6.3-gcccore-11.2.0	✅

docopt

Command-line interface description language.

Versions:

Module	Default
module load docopt/0.6.2-gcccore-11.2.0	✅

double-conversion

Efficient binary-decimal and decimal-binary conversion routines for IEEE doubles.

Versions:

Module	Default
module load double-conversion/3.2.0-gcccore-11.3.0	✅
module load double-conversion/3.1.5-gcccore-11.2.0	❎
module load double-conversion/3.1.5-gcccore-10.3.0	❎
module load double-conversion/3.1.5-gcccore-10.2.0	❎

doxygen

Doxygen is a documentation system for C++, C, Java, Objective-C, Python, IDL (Corba and Microsoft flavors), Fortran, VHDL, PHP, C#, and to some extent D.

Versions:

Module	Default
module load doxygen/1.9.4-gcccore-11.3.0	✅
module load doxygen/1.9.1-gcccore-11.2.0	❎
module load doxygen/1.9.1-gcccore-10.3.0	❎
module load doxygen/1.8.20-gcccore-10.2.0	❎
module load doxygen/1.8.16-gcccore-8.3.0	❎

dream

Disruption Runaway Electron Analysis Model (DREAM) code

Versions:

Module	Default
module load dream/1b32d03-foss-2021b	✅

dtcmp

The Datatype Comparison (DTCMP) Library provides pre-defined and user-defined comparison operations to compare the values of two items which can be arbitrary MPI datatypes. Using these comparison operations, the library provides various routines for manipulating data, which may be distributed over the processes of an MPI communicator.

Versions:

Module	Default
module load dtcmp/1.1.2-gompi-2021b	✅

dx-toolkit

The DNAnexus Platform SDK - also called dx-toolkit - includes the dx command-line client; tools for building and debugging apps; utilities for working with DNA data on the DNAnexus Platform; and Python, Java, C++ and R bindings for working on the DNAnexus Platform.

Versions:

Module	Default
module load dx-toolkit/0.349.0-gcc-11.2.0	✅

easyspin

EasySpin is a MATLAB toolbox for simulating and fitting a wide range of Electron Paramagnetic Resonance (EPR) spectra.

Versions:

Module	Default
module load easyspin/6.0.0-dev36	❎
module load easyspin/5.2.35	❎
module load easyspin/5.2.30	✅

eigen

Eigen is a C++ template library for linear algebra: matrices, vectors, numerical solvers, and related algorithms.

Versions:

Module	Default
module load eigen/3.4.0-gcccore-11.3.0	✅
module load eigen/3.4.0-gcccore-11.2.0	❎
module load eigen/3.3.9-gcccore-11.2.0	❎
module load eigen/3.3.9-gcccore-10.3.0	❎
module load eigen/3.3.8-gcccore-10.2.0	❎
module load eigen/3.3.7-gcccore-9.3.0	❎

eigensoft

The EIGENSOFT package combines functionality from our population genetics methods (Patterson et al. 2006) and our EIGENSTRAT stratification correction method (Price et al. 2006). The EIGENSTRAT method uses principal components analysis to explicitly model ancestry differences between cases and controls along continuous axes of variation; the resulting correction is specific to a candidate marker’s variation in frequency across ancestral populations, minimizing spurious associations while maximizing power to detect true associations. The EIGENSOFT package has a built-in plotting script and supports multiple file formats and quantitative phenotypes.

Versions:

Module	Default
module load eigensoft/7.2.1-foss-2021b	✅

elfutils

The elfutils project provides libraries and tools for ELF files and DWARF data.

Versions:

Module	Default
module load elfutils/0.185-gcccore-11.2.0	✅

elk

An all-electron full-potential linearised augmented-plane wave (FP-LAPW) code with many advanced features. Written originally at Karl-Franzens-Universität Graz as a milestone of the EXCITING EU Research and Training Network, the code is designed to be as simple as possible so that new developments in the field of density functional theory (DFT) can be added quickly and reliably.

Versions:

Module	Default
module load elk/8.5.10-intel-2021b	✅

elpa

Eigenvalue SoLvers for Petaflop-Applications .

Versions:

Module	Default
module load elpa/2022.05.001-intel-2022b	✅
module load elpa/2021.11.001-intel-2021b	❎
module load elpa/2021.11.001-foss-2021b-cuda-11.4.1	❎
module load elpa/2021.05.001-intel-2021b	❎
module load elpa/2021.05.001-intel-2021a	❎
module load elpa/2021.05.001-foss-2021b	❎
module load elpa/2021.05.001-foss-2021a	❎
module load elpa/2020.11.001-foss-2020b	❎

elsi

ELSI provides and enhances scalable, open-source software library solutions for electronic structure calculations in materials science, condensed matter physics, chemistry, and many other fields. ELSI focuses on methods that solve or circumvent eigenvalue problems in electronic structure theory. The ELSI infrastructure should also be useful for other challenging eigenvalue problems.

Versions:

Module	Default
module load elsi/2.7.1-intel-2021a-pexsi	✅

emacs

GNU Emacs is an extensible, customizable text editor--and more. At its core is an interpreter for Emacs Lisp, a dialect of the Lisp programming language with extensions to support text editing.

Versions:

Module	Default
module load emacs/27.2-gcccore-11.2.0	❎
module load emacs/27.2	✅
module load emacs/27.1-gcccore-10.2.0	❎

eman2

EMAN2 is a broadly based greyscale scientific image processing suite with a primary focus on processing data from transmission electron microscopes

Versions:

Module	Default
module load eman2/2.91	✅

emboss

EMBOSS is 'The European Molecular Biology Open Software Suite' . EMBOSS is a free Open Source software analysis package specially developed for the needs of the molecular biology (e.g. EMBnet) user community.

Versions:

Module	Default
module load emboss/6.6.0-gcc-11.2.0-java-13	✅

enchant-2

Enchant aims to provide a simple but comprehensive abstraction for dealing with different spell checking libraries in a consistent way. A client, such as a text editor or word processor, need not know anything about a specific spell-checker, and since all back-ends are plugins, new spell-checkers can be added without needing any change to the program using Enchant.

Versions:

Module	Default
module load enchant-2/2.3.3-gcccore-11.2.0	✅

epstool

Epstool is a utility to create or extract preview images in EPS files, fix bounding boxes and convert to bitmaps.

Versions:

Module	Default
module load epstool/3.09	✅

esa-snap

Versions:

Module	Default
module load esa-snap/9.0.0	✅

esmf

The Earth System Modeling Framework (ESMF) is a suite of software tools for developing high-performance, multi-component Earth science modeling applications.

Versions:

Module	Default
module load esmf/8.2.0-foss-2021b	✅

et

eT is an open source program with coupled cluster, multiscale and multilevel methods

Versions:

Module	Default
module load et/1.9.11-gcc-11.3.0	✅

exiv2

Exiv2 is a Cross-platform C++ library and a command line utility to manage image metadata.

Versions:

Module	Default
module load exiv2/0.27.5-gcccore-11.2.0	✅

expat

Expat is an XML parser library written in C. It is a stream-oriented parser in which an application registers handlers for things the parser might find in the XML document (like start tags)

Versions:

Module	Default
module load expat/2.4.9-gcccore-12.2.0	✅
module load expat/2.4.8-gcccore-11.3.0	❎
module load expat/2.4.1-gcccore-11.2.0	❎
module load expat/2.4.1	❎
module load expat/2.2.9-gcccore-9.3.0	❎
module load expat/2.2.9-gcccore-10.3.0	❎
module load expat/2.2.9-gcccore-10.2.0	❎
module load expat/2.2.7-gcccore-8.3.0	❎
module load expat/2.2.5-gcccore-7.3.0	❎

expecttest

This library implements expect tests (also known as "golden" tests). Expect tests are a method of writing tests where instead of hard-coding the expected output of a test, you run the test to get the output, and the test framework automatically populates the expected output. If the output of the test changes, you can rerun the test with the environment variable EXPECTTEST_ACCEPT=1 to automatically update the expected output.

Versions:

Module	Default
module load expecttest/0.1.3-gcccore-10.3.0	✅

extrae

Extrae is the core instrumentation package developed by the Performance Tools group at BSC. Extrae is capable of instrumenting applications based on MPI, OpenMP, pthreads, CUDA1, OpenCL1, and StarSs1 using different instrumentation approaches. The information gathered by Extrae typically includes timestamped events of runtime calls, performance counters and source code references. Besides, Extrae provides its own API to allow the user to manually instrument his or her application.

Versions:

Module	Default
module load extrae/4.0.1-gompi-2021b	✅

fastp

A tool designed to provide fast all-in-one preprocessing for FastQ files. This tool is developed in C++ with multithreading supported to afford high performance.

Versions:

Module	Default
module load fastp/0.23.2-gcc-11.2.0	✅

fastqc

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.

Versions:

Module	Default
module load fastqc/0.11.9-java-11	✅

ffmpeg

A complete, cross-platform solution to record, convert and stream audio and video.

Versions:

Module	Default
module load ffmpeg/5.0.1-gcccore-11.3.0-full	❎
module load ffmpeg/5.0.1-gcccore-11.3.0	✅
module load ffmpeg/4.4.2-gcccore-11.3.0	❎
module load ffmpeg/4.3.2-gcccore-11.2.0	❎
module load ffmpeg/4.3.2-gcccore-10.3.0	❎
module load ffmpeg/4.3.1-gcccore-10.2.0	❎

ffnvcodec

FFmpeg nvidia headers. Adds support for nvenc and nvdec. Requires Nvidia GPU and drivers to be present (picked up dynamically).

Versions:

Module	Default
module load ffnvcodec/11.1.5.2	✅

fftw.mpi

FFTW is a C subroutine library for computing the discrete Fourier transform (DFT) in one or more dimensions, of arbitrary input size, and of both real and complex data.

Versions:

Module	Default
module load fftw.mpi/3.3.10-gompi-2022a	✅

fftw

FFTW is a C subroutine library for computing the discrete Fourier transform (DFT) in one or more dimensions, of arbitrary input size, and of both real and complex data.

Versions:

Module	Default
module load fftw/3.3.9-nvhpc-22.3	❎
module load fftw/3.3.9-intel-2021b	❎
module load fftw/3.3.9-intel-2021a	❎
module load fftw/3.3.9-gompi-2021a	❎
module load fftw/3.3.9-gompi-2021.07	❎
module load fftw/3.3.8-iomkl-2020b	❎
module load fftw/3.3.8-intel-2021a	❎
module load fftw/3.3.8-intel-2020b	❎
module load fftw/3.3.8-intel-2020a	❎
module load fftw/3.3.8-gompic-2020b	❎
module load fftw/3.3.8-gompi-2020b	❎
module load fftw/3.3.8-gompi-2019b	❎
module load fftw/3.3.10-iimpi-2021b	✅
module load fftw/3.3.10-gompi-2021b	❎
module load fftw/3.3.10-gcc-11.3.0	❎

figbird

Filling Gaps by Iterative Read Distribution

Versions:

Module	Default
module load figbird/0.2.1-gcc-11.2.0-2039edb	✅

file

The file command is 'a file type guesser', that is, a command-line tool that tells you in words what kind of data a file contains.

Versions:

Module	Default
module load file/5.39-gcccore-10.3.0	✅

firefox

Firefox is a free, open source Web browser for Windows, Linux and Mac OS X. It is based on the Mozilla code base and offers customization options and features such as its capability to block pop-up windows, tabbed browsing, privacy and security measures, smart searching, and RSS live bookmarks.

Versions:

Module	Default
module load firefox/current	✅

flac

FLAC stands for Free Lossless Audio Codec, an audio format similar to MP3, but lossless, meaning that audio is compressed in FLAC without any loss in quality.

Versions:

Module	Default
module load flac/1.3.4-gcccore-11.3.0	✅
module load flac/1.3.3-gcccore-11.2.0	❎
module load flac/1.3.3-gcccore-10.3.0	❎
module load flac/1.3.3-gcccore-10.2.0	❎

flash

FLASH (Fast Length Adjustment of SHort reads) is a very fast and accurate software tool to merge paired-end reads from next-generation sequencing experiments.

Versions:

Module	Default
module load flash/1.2.11-gcc-11.2.0	✅

flask

Flask is a lightweight WSGI web application framework. It is designed to make getting started quick and easy, with the ability to scale up to complex applications. This module includes the Flask extensions: Flask-Cors

Versions:

Module	Default
module load flask/2.0.2-gcccore-11.2.0	✅
module load flask/1.1.4-gcccore-10.3.0	❎

flatbuffers-python

Python Flatbuffers runtime library.

Versions:

Module	Default
module load flatbuffers-python/2.0-gcccore-11.2.0	✅
module load flatbuffers-python/2.0-gcccore-10.3.0	❎
module load flatbuffers-python/1.12-gcccore-10.2.0	❎

flatbuffers

FlatBuffers: Memory Efficient Serialization Library

Versions:

Module	Default
module load flatbuffers/2.0.7-gcccore-11.3.0	✅
module load flatbuffers/2.0.0-gcccore-11.2.0	❎
module load flatbuffers/2.0.0-gcccore-10.3.0	❎
module load flatbuffers/1.12.0-gcccore-10.2.0	❎

flex

Flex (Fast Lexical Analyzer) is a tool for generating scanners. A scanner, sometimes called a tokenizer, is a program which recognizes lexical patterns in text.

Versions:

Module	Default
module load flex/2.6.4-gcccore-9.3.0	❎
module load flex/2.6.4-gcccore-8.3.0	❎
module load flex/2.6.4-gcccore-7.3.0	❎
module load flex/2.6.4-gcccore-12.2.0	❎
module load flex/2.6.4-gcccore-11.3.0	❎
module load flex/2.6.4-gcccore-11.2.0	❎
module load flex/2.6.4-gcccore-10.3.0	❎
module load flex/2.6.4-gcccore-10.2.0	❎
module load flex/2.6.4	✅
module load flex/2.6.3	❎
module load flex/2.6.0	❎
module load flex/2.5.39	❎

flexiblas

FlexiBLAS is a wrapper library that enables the exchange of the BLAS and LAPACK implementation used by a program without recompiling or relinking it.

Versions:

Module	Default
module load flexiblas/3.2.0-gcc-11.3.0	✅
module load flexiblas/3.0.4-gcc-11.2.0	❎
module load flexiblas/3.0.4-gcc-10.3.0	❎

fltk

FLTK is a cross-platform C++ GUI toolkit for UNIX/Linux (X11), Microsoft Windows, and MacOS X. FLTK provides modern GUI functionality without the bloat and supports 3D graphics via OpenGL and its built-in GLUT emulation.

Versions:

Module	Default
module load fltk/1.3.8-gcccore-11.3.0	✅
module load fltk/1.3.7-gcccore-11.2.0	❎
module load fltk/1.3.5-gcccore-9.3.0	❎
module load fltk/1.3.5-gcccore-10.2.0	❎

fluka

FLUKA is a general purpose tool for calculations of particle transport and interactions with matter, covering an extended range of applications spanning from proton and electron accelerator shielding to target design, calorimetry, activation, dosimetry, detector design, Accelerator Driven Systems, cosmic rays, neutrino physics, radiotherapy etc.

Versions:

Module	Default
module load fluka/2021.2-gcc-9.3.0	✅

fontconfig

Fontconfig is a library designed to provide system-wide font configuration, customization and application access.

Versions:

Module	Default
module load fontconfig/2.14.0-gcccore-11.3.0	✅
module load fontconfig/2.13.94-gcccore-11.2.0	❎
module load fontconfig/2.13.94	❎
module load fontconfig/2.13.93-gcccore-10.3.0	❎
module load fontconfig/2.13.92-gcccore-9.3.0	❎
module load fontconfig/2.13.92-gcccore-10.2.0	❎
module load fontconfig/2.13.1-gcccore-8.3.0	❎

foss

GNU Compiler Collection (GCC) based compiler toolchain, including OpenMPI for MPI support, OpenBLAS (BLAS and LAPACK support), FFTW and ScaLAPACK.

Versions:

Module	Default
module load foss/2022a	✅
module load foss/2021b	❎
module load foss/2021a	❎
module load foss/2020b	❎
module load foss/2019b	❎

fosscuda

GCC based compiler toolchain with CUDA support, and including OpenMPI for MPI support, OpenBLAS (BLAS and LAPACK support), FFTW and ScaLAPACK.

Versions:

Module	Default
module load fosscuda/2020b	✅

freeglut

freeglut is a completely OpenSourced alternative to the OpenGL Utility Toolkit (GLUT) library.

Versions:

Module	Default
module load freeglut/3.2.1-gcccore-11.2.0	✅
module load freeglut/3.2.1-gcccore-10.3.0	❎

freeimage

FreeImage is an Open Source library project for developers who would like to support popular graphics image formats like PNG, BMP, JPEG, TIFF and others as needed by today's multimedia applications. FreeImage is easy to use, fast, multithreading safe.

Versions:

Module	Default
module load freeimage/3.18.0-gcccore-11.2.0	✅

freetype

FreeType 2 is a software font engine that is designed to be small, efficient, highly customizable, and portable while capable of producing high-quality output (glyph images). It can be used in graphics libraries, display servers, font conversion tools, text image generation tools, and many other products as well.

Versions:

Module	Default
module load freetype/2.12.1-gcccore-11.3.0	✅
module load freetype/2.11.0-gcccore-11.2.0	❎
module load freetype/2.11.0	❎
module load freetype/2.10.4-gcccore-10.3.0	❎
module load freetype/2.10.3-gcccore-10.2.0	❎
module load freetype/2.10.1-gcccore-9.3.0	❎
module load freetype/2.10.1-gcccore-8.3.0	❎

freexl

FreeXL is an open source library to extract valid data from within an Excel (.xls) spreadsheet.

Versions:

Module	Default
module load freexl/1.0.6-gcccore-11.2.0	✅

fribidi

The Free Implementation of the Unicode Bidirectional Algorithm.

Versions:

Module	Default
module load fribidi/1.0.12-gcccore-11.3.0	✅
module load fribidi/1.0.10-gcccore-11.2.0	❎
module load fribidi/1.0.10-gcccore-10.3.0	❎
module load fribidi/1.0.10-gcccore-10.2.0	❎
module load fribidi/1.0.10	❎

fsl

FSL is a comprehensive library of analysis tools for FMRI, MRI and DTI brain imaging data.

Versions:

Module	Default
module load fsl/6.0.5.1-foss-2021a	✅

g2clib

Library contains GRIB2 encoder/decoder ('C' version).

Versions:

Module	Default
module load g2clib/1.6.3-gcccore-11.2.0	✅

g2lib

Library contains GRIB2 encoder/decoder and search/indexing routines.

Versions:

Module	Default
module load g2lib/3.2.0-gcccore-11.2.0	✅

gamess-us

Versions:

Module	Default
module load gamess-us/2022.1-foss-2021b	✅

gatk

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.

Versions:

Module	Default
module load gatk/4.2.0.0-gcccore-10.2.0-java-11	✅

gaussian

Gaussian G16 quantum chemistry package, revision " .. Version) whatis("URL: http://gaussian.com/

Versions:

Module	Default
module load gaussian/g16.C.01-modified	❎
module load gaussian/g16.C.01	✅
module load gaussian/g16.A.03	❎

gc

The Boehm-Demers-Weiser conservative garbage collector can be used as a garbage collecting replacement for C malloc or C++ new.

Versions:

Module	Default
module load gc/8.2.0-gcccore-11.2.0	✅
module load gc/7.6.12-gcccore-9.3.0	❎

gcc

The GNU Compiler Collection includes front ends for C, C++, Objective-C, Fortran, Java, and Ada, as well as libraries for these languages (libstdc++, libgcj,...).

Versions:

Module	Default
module load gcc/9.3.0	❎
module load gcc/8.3.0	❎
module load gcc/7.3.0-2.30	❎
module load gcc/12.2.0	✅
module load gcc/11.3.0	❎
module load gcc/11.2.0	❎
module load gcc/10.3.0	❎
module load gcc/10.2.0	❎

gcccore

The GNU Compiler Collection includes front ends for C, C++, Objective-C, Fortran, Java, and Ada, as well as libraries for these languages (libstdc++, libgcj,...).

Versions:

Module	Default
module load gcccore/9.3.0	❎
module load gcccore/8.3.0	❎
module load gcccore/7.3.0	❎
module load gcccore/6.5.0	❎
module load gcccore/12.2.0	✅
module load gcccore/11.3.0	❎
module load gcccore/11.2.0	❎
module load gcccore/10.3.0	❎
module load gcccore/10.2.0	❎

gcccuda

GNU Compiler Collection (GCC) based compiler toolchain, along with CUDA toolkit.

Versions:

Module	Default
module load gcccuda/2020b	✅
module load gcccuda/2020a	❎

gconf

GConf is a system for storing application preferences. It is intended for user preferences; not configuration of something like Apache, or arbitrary data storage.

Versions:

Module	Default
module load gconf/3.2.6-gcccore-11.2.0	✅

gctf

Gctf: real-time CTF determination and correction, Kai Zhang, 2016

Versions:

Module	Default
module load gctf/1.18-phase-plate	✅
module load gctf/1.06	❎

gdal

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.

Versions:

Module	Default
module load gdal/3.3.2-foss-2021b-hdf5-1.10.8	❎
module load gdal/3.3.2-foss-2021b	✅
module load gdal/3.3.0-foss-2021a	❎
module load gdal/3.2.1-foss-2020b	❎

gdb

The GNU Project Debugger

Versions:

Module	Default
module load gdb/12.1-gcccore-11.2.0	✅
module load gdb/11.1-gcccore-11.2.0	❎
module load gdb/10.2-gcccore-10.3.0	❎

gdk-pixbuf

The Gdk Pixbuf is a toolkit for image loading and pixel buffer manipulation. It is used by GTK+ 2 and GTK+ 3 to load and manipulate images. In the past it was distributed as part of GTK+ 2 but it was split off into a separate package in preparation for the change to GTK+ 3.

Versions:

Module	Default
module load gdk-pixbuf/2.42.6-gcccore-11.2.0	❎
module load gdk-pixbuf/2.42.6-gcccore-10.3.0	❎
module load gdk-pixbuf/2.42.6	✅
module load gdk-pixbuf/2.40.0-gcccore-10.2.0	❎

gdrcopy

A low-latency GPU memory copy library based on NVIDIA GPUDirect RDMA technology.

Versions:

Module	Default
module load gdrcopy/2.3-gcccore-11.3.0	✅
module load gdrcopy/2.3-gcccore-11.2.0	❎
module load gdrcopy/2.2-gcccore-10.3.0	❎
module load gdrcopy/2.1-gcccore-10.2.0-cuda-11.1.1	❎
module load gdrcopy/2.1--cuda-11.1.1-gcccore-10.2.0	❎

geant4

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.

Versions:

Module	Default
module load geant4/11.0.2-gcc-11.2.0	✅
module load geant4/10.7.1-gcc-10.2.0	❎

gengetopt

Gengetopt is a tool to write command line option parsing code for C programs.

Versions:

Module	Default
module load gengetopt/2.23-gcccore-11.2.0	✅

geos

GEOS (Geometry Engine - Open Source) is a C++ port of the Java Topology Suite (JTS)

Versions:

Module	Default
module load geos/3.9.1-intel-compilers-2021.2.0	❎
module load geos/3.9.1-gcc-11.2.0	❎
module load geos/3.9.1-gcc-10.3.0	❎
module load geos/3.9.1-gcc-10.2.0	❎
module load geos/3.10.3-gcc-11.3.0	✅

gettext

GNU 'gettext' is an important step for the GNU Translation Project, as it is an asset on which we may build many other steps. This package offers to programmers, translators, and even users, a well integrated set of tools and documentation

Versions:

Module	Default
module load gettext/0.21.1-gcccore-12.2.0	❎
module load gettext/0.21.1	✅
module load gettext/0.21-gcccore-11.3.0	❎
module load gettext/0.21-gcccore-11.2.0	❎
module load gettext/0.21-gcccore-10.3.0	❎
module load gettext/0.21-gcccore-10.2.0	❎
module load gettext/0.21	❎
module load gettext/0.20.1-gcccore-9.3.0	❎
module load gettext/0.20.1-gcccore-8.3.0	❎
module load gettext/0.20.1	❎
module load gettext/0.19.8.1	❎

ghostscript

Ghostscript is a versatile processor for PostScript data with the ability to render PostScript to different targets. It used to be part of the cups printing stack, but is no longer used for that.

Versions:

Module	Default
module load ghostscript/9.56.1-gcccore-11.3.0	✅
module load ghostscript/9.54.0-gcccore-11.2.0	❎
module load ghostscript/9.54.0-gcccore-10.3.0	❎
module load ghostscript/9.53.3-gcccore-10.2.0	❎

giflib

giflib is a library for reading and writing gif images. It is API and ABI compatible with libungif which was in wide use while the LZW compression algorithm was patented.

Versions:

Module	Default
module load giflib/5.2.1-gcccore-11.3.0	✅
module load giflib/5.2.1-gcccore-11.2.0	❎
module load giflib/5.2.1-gcccore-10.3.0	❎
module load giflib/5.2.1-gcccore-10.2.0	❎

git

Git is a free and open source distributed version control system designed to handle everything from small to very large projects with speed and efficiency.

Versions:

Module	Default
module load git/2.38.1-gcccore-12.2.0-nodocs	✅
module load git/2.36.0-gcccore-11.3.0-nodocs	❎
module load git/2.33.1-nodocs	❎
module load git/2.33.1-gcccore-11.2.0-nodocs	❎
module load git/2.32.0-gcccore-10.3.0-nodocs	❎
module load git/2.28.0-gcccore-10.2.0-nodocs	❎

gl2ps

GL2PS: an OpenGL to PostScript printing library

Versions:

Module	Default
module load gl2ps/1.4.2-gcccore-11.2.0	✅

glew

The OpenGL Extension Wrangler Library (GLEW) is a cross-platform open-source C/C++ extension loading library. GLEW provides efficient run-time mechanisms for determining which OpenGL extensions are supported on the target platform.

Versions:

Module	Default
module load glew/2.2.0-gcccore-11.2.0-egl	✅
module load glew/2.1.0-gcccore-11.2.0	❎

glib-networking

Network extensions for GLib

Versions:

Module	Default
module load glib-networking/2.72.1-gcccore-11.2.0	✅

glib

GLib is one of the base libraries of the GTK+ project

Versions:

Module	Default
module load glib/2.72.1-gcccore-11.3.0	✅
module load glib/2.69.1-gcccore-11.2.0	❎
module load glib/2.69.1	❎
module load glib/2.68.2-gcccore-10.3.0	❎
module load glib/2.66.1-gcccore-10.2.0	❎

glibmm

C++ bindings for Glib

Versions:

Module	Default
module load glibmm/2.66.4-gcccore-10.3.0	✅

glm

OpenGL Mathematics (GLM) is a header only C++ mathematics library for graphics software based on the OpenGL Shading Language (GLSL) specifications.

Versions:

Module	Default
module load glm/0.9.9.8-gcccore-8.3.0	❎
module load glm/0.9.9.8-gcccore-11.2.0	✅
module load glm/0.9.9.0-gcccore-8.3.0	❎

glpk

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.

Versions:

Module	Default
module load glpk/5.0-gcccore-11.3.0	✅
module load glpk/5.0-gcccore-11.2.0	❎
module load glpk/5.0-gcccore-10.3.0	❎
module load glpk/4.65-gcccore-10.2.0	❎

gmp

GMP is a free library for arbitrary precision arithmetic, operating on signed integers, rational numbers, and floating point numbers.

Versions:

Module	Default
module load gmp/6.2.1-gcccore-12.2.0	❎
module load gmp/6.2.1-gcccore-11.3.0	❎
module load gmp/6.2.1-gcccore-11.2.0	❎
module load gmp/6.2.1-gcccore-10.3.0	❎
module load gmp/6.2.1	✅
module load gmp/6.2.0-gcccore-9.3.0	❎
module load gmp/6.2.0-gcccore-10.2.0	❎
module load gmp/6.1.2-gcccore-8.3.0	❎

gmpy2

GMP/MPIR, MPFR, and MPC interface to Python 2.6+ and 3.x

Versions:

Module	Default
module load gmpy2/2.1.2-intel-compilers-2021.4.0	✅
module load gmpy2/2.1.2-gcc-11.2.0	❎

gmsh

Gmsh is a 3D finite element grid generator with a build-in CAD engine and post-processor.

Versions:

Module	Default
module load gmsh/4.11.0-foss-2021b	✅

gmvapich2

GNU Compiler Collection (GCC) based compiler toolchain, including MVAPICH2 for MPI support.

Versions:

Module	Default
module load gmvapich2/2021b	✅
module load gmvapich2/2020a	❎

gmx-mmpbsa

gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.

Versions:

Module	Default
module load gmx-mmpbsa/1.6.1-intel-2021b	✅

gnuplot

Portable interactive, function plotting utility

Versions:

Module	Default
module load gnuplot/5.4.4-gcccore-11.3.0	✅
module load gnuplot/5.4.2-gcccore-11.2.0	❎
module load gnuplot/5.4.2-gcccore-10.3.0	❎
module load gnuplot/5.4.1-gcccore-10.2.0	❎

gnutls

GnuTLS is a secure communications library implementing the SSL, TLS and DTLS protocols and technologies around them. It provides a simple C language application programming interface (API) to access the secure communications protocols as well as APIs to parse and write X.509, PKCS #12, OpenPGP and other required structures. It is aimed to be portable and efficient with focus on security and interoperability.

Versions:

Module	Default
module load gnutls/3.7.3-gcccore-11.2.0	✅

go

Go is an open source programming language that makes it easy to build simple, reliable, and efficient software.

Versions:

Module	Default
module load go/1.18.1	✅
module load go/1.17.3	❎
module load go/1.16.5	❎

gobff

GCC and GFortran based compiler toolchain with OpenMPI, BLIS, libFLAME, ScaLAPACK and FFTW.

Versions:

Module	Default
module load gobff/2020b	✅

gobject-introspection

GObject introspection is a middleware layer between C libraries (using GObject) and language bindings. The C library can be scanned at compile time and generate a metadata file, in addition to the actual native C library. Then at runtime, language bindings can read this metadata and automatically provide bindings to call into the C library.

Versions:

Module	Default
module load gobject-introspection/1.72.0-gcccore-11.3.0	✅
module load gobject-introspection/1.68.0-gcccore-11.2.0	❎
module load gobject-introspection/1.68.0-gcccore-10.3.0	❎
module load gobject-introspection/1.68.0	❎
module load gobject-introspection/1.66.1-gcccore-10.2.0	❎

gomkl

GNU Compiler Collection (GCC) based compiler toolchain with OpenMPI and MKL

Versions:

Module	Default
module load gomkl/2021b	✅

gompi

GNU Compiler Collection (GCC) based compiler toolchain, including OpenMPI for MPI support.

Versions:

Module	Default
module load gompi/2022a	✅
module load gompi/2021b	❎
module load gompi/2021a	❎
module load gompi/2021.07	❎
module load gompi/2020b	❎
module load gompi/2020a	❎
module load gompi/2019b	❎

gompic

GNU Compiler Collection (GCC) based compiler toolchain along with CUDA toolkit, including OpenMPI for MPI support with CUDA features enabled.

Versions:

Module	Default
module load gompic/2020b	✅

goodvibes

GoodVibes is a Python program to compute thermochemical data from one or a series of electronic structure calculations.

Versions:

Module	Default
module load goodvibes/3.2-foss-2021b	✅

gpaw-setups

PAW setup for the GPAW Density Functional Theory package. Users can install setups manually using 'gpaw install-data' or use setups from this package. The versions of GPAW and GPAW-setups can be intermixed.

Versions:

Module	Default
module load gpaw-setups/0.9.20000	✅

gpaw

GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE). It uses real-space uniform grids and multigrid methods or atom-centered basis-functions.

Versions:

Module	Default
module load gpaw/23.6.0-intel-2021b	✅
module load gpaw/22.8.0-intel-2021b	❎
module load gpaw/21.6.0-foss-2021a	❎

gperf

GNU gperf is a perfect hash function generator. For a given list of strings, it produces a hash function and hash table, in form of C or C++ code, for looking up a value depending on the input string. The hash function is perfect, which means that the hash table has no collisions, and the hash table lookup needs a single string comparison only.

Versions:

Module	Default
module load gperf/3.1-gcccore-9.3.0	❎
module load gperf/3.1-gcccore-8.3.0	❎
module load gperf/3.1-gcccore-11.3.0	❎
module load gperf/3.1-gcccore-11.2.0	❎
module load gperf/3.1-gcccore-10.3.0	❎
module load gperf/3.1-gcccore-10.2.0	❎
module load gperf/3.1	✅

gperftools

gperftools is a collection of a high-performance multi-threaded malloc() implementation, plus some pretty nifty performance analysis tools. Includes TCMalloc, heap-checker, heap-profiler and cpu-profiler.

Versions:

Module	Default
module load gperftools/2.9.1-gcccore-10.3.0	✅

grace

Grace is a WYSIWYG tool to make two-dimensional plots of numerical data.

Versions:

Module	Default
module load grace/5.1.25-foss-2021b	✅

graphicsmagick

GraphicsMagick is the swiss army knife of image processing.

Versions:

Module	Default
module load graphicsmagick/1.3.36-gcccore-11.2.0	✅

graphite2

Graphite is a "smart font" system developed specifically to handle the complexities of lesser-known languages of the world.

Versions:

Module	Default
module load graphite2/1.3.14-gcccore-11.3.0	✅
module load graphite2/1.3.14-gcccore-11.2.0	❎

graphviz

Graphviz is open source graph visualization software. Graph visualization is a way of representing structural information as diagrams of abstract graphs and networks. It has important applications in networking, bioinformatics, software engineering, database and web design, machine learning, and in visual interfaces for other technical domains.

Versions:

Module	Default
module load graphviz/2.47.2-gcccore-10.3.0	✅

grasp

The General Relativistic Atomic Structure Package (GRASP) is a set of Fortran 90 programs for performing fully-relativistic electron structure calculations of atoms.

Versions:

Module	Default
module load grasp/2018-foss-2019b	✅

grass

The Geographic Resources Analysis Support System - used for geospatial data management and analysis, image processing, graphics and maps production, spatial modeling, and visualization

Versions:

Module	Default
module load grass/8.2.0-foss-2021b	✅

greenlet

The greenlet package is a spin-off of Stackless, a version of CPython that supports micro-threads called "tasklets". Tasklets run pseudo-concurrently (typically in a single or a few OS-level threads) and are synchronized with data exchanges on "channels". A "greenlet", on the other hand, is a still more primitive notion of micro-thread with no implicit scheduling; coroutines, in other words. This is useful when you want to control exactly when your code runs.

Versions:

Module	Default
module load greenlet/2.0.1-gcccore-11.2.0-python-3.9.6	✅

groff

Groff (GNU troff) is a typesetting system that reads plain text mixed with formatting commands and produces formatted output.

Versions:

Module	Default
module load groff/1.22.4-gcccore-9.3.0	❎
module load groff/1.22.4-gcccore-8.3.0	❎
module load groff/1.22.4-gcccore-12.2.0	❎
module load groff/1.22.4-gcccore-11.3.0	❎
module load groff/1.22.4-gcccore-11.2.0	❎
module load groff/1.22.4-gcccore-10.3.0	❎
module load groff/1.22.4-gcccore-10.2.0	❎
module load groff/1.22.4	✅

gromacs

GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. This is a GPU enabled build, containing both MPI and threadMPI binaries.

Versions:

Module	Default
module load gromacs/2023-nvhpc-22.11-cuda-11.7.0	❎
module load gromacs/2023-intel-2022b	❎
module load gromacs/2023-foss-2021b-plumed-2.9b	❎
module load gromacs/2023-foss-2021b	❎
module load gromacs/2022.3-foss-2021b-cuda-11.6.0-avx2-256-plumed-2.8.1	❎
module load gromacs/2022-intel-2021a-cp2k-9.1	❎
module load gromacs/2022-foss-2021b-cuda-11.6.0-avx2-256	❎
module load gromacs/2022-foss-2021b-cuda-11.4.1-avx2-256	❎
module load gromacs/2022-foss-2021b	❎
module load gromacs/2021.4-foss-2021b-plumed-2.8.0	❎
module load gromacs/2021.4-foss-2021b	❎
module load gromacs/2021.3-iomkl-2021a-plumed-2.7.2	❎
module load gromacs/2021.3-iomkl-2021a	✅
module load gromacs/2021.3-intel-2021a-plumed-2.7.2-avx2-256	❎
module load gromacs/2021.3-intel-2021a-plumed-2.7.2	❎
module load gromacs/2021.3-intel-2021a	❎
module load gromacs/2021.3-intel-2020b-plumed-2.7.2	❎
module load gromacs/2021.2-fosscuda-2020b	❎
module load gromacs/2021-fosscuda-2020b-avx2-256-threadmpi	❎
module load gromacs/2021-fosscuda-2020b-avx2-256	❎
module load gromacs/2021-fosscuda-2020b	❎
module load gromacs/2019.2-iomkl-2021a-plumed-2.5.2-avx2-256	❎
module load gromacs/2019.2-iomkl-2021a-plumed-2.5.2	❎

gsl

The GNU Scientific Library (GSL) is a numerical library for C and C++ programmers. The library provides a wide range of mathematical routines such as random number generators, special functions and least-squares fitting.

Versions:

Module	Default
module load gsl/2.7-intel-compilers-2021.4.0	❎
module load gsl/2.7-intel-compilers-2021.2.0	❎
module load gsl/2.7-gcc-11.3.0	❎
module load gsl/2.7-gcc-11.2.0	❎
module load gsl/2.7-gcc-10.3.0	❎
module load gsl/2.7	✅
module load gsl/2.6-iccifort-2020.4.304	❎
module load gsl/2.6-iccifort-2020.1.217	❎
module load gsl/2.6-gcc-9.3.0	❎
module load gsl/2.6-gcc-10.2.0	❎

gst-plugins-base

GStreamer is a library for constructing graphs of media-handling components. The applications it supports range from simple Ogg/Vorbis playback, audio/video streaming to complex audio (mixing) and video (non-linear editing) processing.

Versions:

Module	Default
module load gst-plugins-base/1.18.5-gcc-11.2.0	✅

gstreamer

GStreamer is a library for constructing graphs of media-handling components. The applications it supports range from simple Ogg/Vorbis playback, audio/video streaming to complex audio (mixing) and video (non-linear editing) processing.

Versions:

Module	Default
module load gstreamer/1.18.5-gcc-11.2.0	✅
module load gstreamer/1.18.4-gcc-10.2.0	❎
module load gstreamer/1.10.5-gcc-11.2.0	❎

gtk+

GTK+ is the primary library used to construct user interfaces in GNOME. It provides all the user interface controls, or widgets, used in a common graphical application. Its object-oriented API allows you to construct user interfaces without dealing with the low-level details of drawing and device interaction.

Versions:

Module	Default
module load gtk+/3.24.23-gcccore-10.2.0	✅

gtk2

The GTK+ 2 package contains libraries used for creating graphical user interfaces for applications.

Versions:

Module	Default
module load gtk2/2.24.33-gcccore-11.2.0	✅
module load gtk2/2.24.33-gcccore-10.3.0	❎

gtk3

GTK+ is the primary library used to construct user interfaces in GNOME. It provides all the user interface controls, or widgets, used in a common graphical application. Its object-oriented API allows you to construct user interfaces without dealing with the low-level details of drawing and device interaction.

Versions:

Module	Default
module load gtk3/3.24.31-gcccore-11.2.0	❎
module load gtk3/3.24.31	✅

gts

GTS stands for the GNU Triangulated Surface Library. It is an Open Source Free Software Library intended to provide a set of useful functions to deal with 3D surfaces meshed with interconnected triangles.

Versions:

Module	Default
module load gts/0.7.6-gcccore-10.3.0	✅

guile

Guile is a programming language, designed to help programmers create flexible applications that can be extended by users or other programmers with plug-ins, modules, or scripts.

Versions:

Module	Default
module load guile/3.0.7-gcccore-11.2.0	✅
module load guile/1.8.8-gcccore-9.3.0	❎

gzip

gzip (GNU zip) is a popular data compression program as a replacement for compress

Versions:

Module	Default
module load gzip/1.12-lustre	✅
module load gzip/1.12-gcccore-11.3.0	❎
module load gzip/1.10-gcccore-9.3.0	❎
module load gzip/1.10-gcccore-11.2.0	❎
module load gzip/1.10-gcccore-10.3.0	❎
module load gzip/1.10-gcccore-10.2.0	❎
module load gzip/1.10	❎

h5py

HDF5 for Python (h5py) is a general-purpose Python interface to the Hierarchical Data Format library, version 5. HDF5 is a versatile, mature scientific software library designed for the fast, flexible storage of enormous amounts of data.

Versions:

Module	Default
module load h5py/3.7.0-foss-2022a	✅
module load h5py/3.6.0-foss-2021b	❎
module load h5py/3.2.1-foss-2021a	❎
module load h5py/3.1.0-fosscuda-2020b	❎

harfbuzz

HarfBuzz is an OpenType text shaping engine.

Versions:

Module	Default
module load harfbuzz/4.2.1-gcccore-11.3.0	✅
module load harfbuzz/2.8.2-gcccore-11.2.0	❎
module load harfbuzz/2.8.2	❎
module load harfbuzz/2.8.1-gcccore-10.3.0	❎
module load harfbuzz/2.6.7-gcccore-10.2.0	❎

harminv

Harminv is a free program (and accompanying library) to solve the problem of harmonic inversion - given a discrete-time, finite-length signal that consists of a sum of finitely-many sinusoids (possibly exponentially decaying) in a given bandwidth, it determines the frequencies, decay constants, amplitudes, and phases of those sinusoids.

Versions:

Module	Default
module load harminv/1.4.1-intel-2021b	✅

hdf

HDF (also known as HDF4) is a library and multi-object file format for storing and managing data between machines.

Versions:

Module	Default
module load hdf/4.2.15-gcccore-11.2.0	✅
module load hdf/4.2.15-gcccore-10.3.0	❎
module load hdf/4.2.15-gcccore-10.2.0	❎

hdf5

HDF5 is a data model, library, and file format for storing and managing data. It supports an unlimited variety of datatypes, and is designed for flexible and efficient I/O and for high volume and complex data.

Versions:

Module	Default
module load hdf5/1.14.0-iimpi-2022b	✅
module load hdf5/1.13.1-gompi-2022a	❎
module load hdf5/1.12.2-gompi-2022a	❎
module load hdf5/1.12.1-iimpi-2021b	❎
module load hdf5/1.12.1-gompi-2021b	❎
module load hdf5/1.12.0-iimpi-2020a	❎
module load hdf5/1.12.0-gompi-2020a	❎
module load hdf5/1.10.8-gompi-2021b	❎
module load hdf5/1.10.7-iimpi-2021a	❎
module load hdf5/1.10.7-iimpi-2020b	❎
module load hdf5/1.10.7-gompic-2020b	❎
module load hdf5/1.10.7-gompi-2021a	❎
module load hdf5/1.10.7-gompi-2020b	❎
module load hdf5/1.10.5-gompi-2019b	❎

help2man

help2man produces simple manual pages from the '--help' and '--version' output of other commands.

Versions:

Module	Default
module load help2man/1.49.2-gcccore-12.2.0	✅
module load help2man/1.49.2-gcccore-11.3.0	❎
module load help2man/1.48.3-gcccore-11.2.0	❎
module load help2man/1.48.3-gcccore-10.3.0	❎
module load help2man/1.47.8-gcccore-8.3.0	❎
module load help2man/1.47.4-gcccore-7.3.0	❎
module load help2man/1.47.4	❎
module load help2man/1.47.16-gcccore-10.2.0	❎
module load help2man/1.47.12-gcccore-9.3.0	❎

hh-suite

HH-suite is an open-source software package for sensitive protein sequence searching. It contains programs that can search for similar protein sequences in protein sequence databases.

Versions:

Module	Default
module load hh-suite/3.3.0-foss-2020b	✅

hiredis

Hiredis is a minimalistic C client library for the Redis database. It is minimalistic because it just adds minimal support for the protocol, but at the same time it uses a high level printf-alike API in order to make it much higher level than otherwise suggested by its minimal code base and the lack of explicit bindings for every Redis command.

Versions:

Module	Default
module load hiredis/1.0.2-gcccore-11.2.0	✅

hisat2

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).

Versions:

Module	Default
module load hisat2/2.2.1-gompi-2021a	✅

hmmer

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). Compared to BLAST, FASTA, and other sequence alignment and database search tools based on older scoring methodology, HMMER aims to be significantly more accurate and more able to detect remote homologs because of the strength of its underlying mathematical models. In the past, this strength came at significant computational expense, but in the new HMMER3 project, HMMER is now essentially as fast as BLAST.

Versions:

Module	Default
module load hmmer/3.3.2-gompi-2021b	✅
module load hmmer/3.3.2-gompi-2020b	❎

hops

Versions:

Module	Default
module load hops/0.35-foss-2021b	✅

horovod

Horovod is a distributed training framework for TensorFlow.

Versions:

Module	Default
module load horovod/0.23.0-foss-2021a-cuda-11.3.1-pytorch-1.10.0-tensorflow-2.5.3	❎
module load horovod/0.23.0-foss-2021a-cuda-11.3.1-pytorch-1.10.0	✅

hpl

HPL is a software package that solves a (random) dense linear system in double precision (64 bits) arithmetic on distributed-memory computers. It can thus be regarded as a portable as well as freely available implementation of the High Performance Computing Linpack Benchmark.

Versions:

Module	Default
module load hpl/2.3-iomkl-2021a	✅
module load hpl/2.3-intel-2021a	❎
module load hpl/2.3-gobff-2020b	❎
module load hpl/2.3-foss-2020b	❎

htseq

HTSeq is a Python library to facilitate processing and analysis of data from high-throughput sequencing (HTS) experiments.

Versions:

Module	Default
module load htseq/0.11.3-foss-2021b	✅

htslib

A C library for reading/writing high-throughput sequencing data. This package includes the utilities bgzip and tabix

Versions:

Module	Default
module load htslib/1.14-gcc-11.2.0	✅
module load htslib/1.13-gcc-10.3.0	❎
module load htslib/1.12-gcc-9.3.0	❎
module load htslib/1.12-gcc-10.2.0	❎
module load htslib/1.11-gcc-10.2.0	❎

hunspell

Hunspell is a spell checker and morphological analyzer library and program designed for languageswith rich morphology and complex word compounding or character encoding.

Versions:

Module	Default
module load hunspell/1.7.1-gcccore-11.2.0	✅

hwloc

The Portable Hardware Locality (hwloc) software package provides a portable abstraction (across OS, versions, architectures, ...) of the hierarchical topology of modern architectures, including NUMA memory nodes, sockets, shared caches, cores and simultaneous multithreading. It also gathers various system attributes such as cache and memory information as well as the locality of I/O devices such as network interfaces, InfiniBand HCAs or GPUs. It primarily aims at helping applications with gathering information about modern computing hardware so as to exploit it accordingly and efficiently.

Versions:

Module	Default
module load hwloc/2.7.1-gcccore-11.3.0	✅
module load hwloc/2.5.0-gcccore-11.2.0	❎
module load hwloc/2.5.0	❎
module load hwloc/2.4.1-gcccore-7.3.0	❎
module load hwloc/2.4.1-gcccore-10.3.0	❎
module load hwloc/2.2.0-gcccore-9.3.0	❎
module load hwloc/2.2.0-gcccore-10.2.0	❎
module load hwloc/1.11.12-gcccore-8.3.0	❎
module load hwloc/1.11.10-gcc-10.3.0	❎

hydra

Hydra is a process management system for starting parallel jobs. Hydra is designed to natively work with multiple daemons such as ssh, rsh, pbs, slurm and sge.

Versions:

Module	Default
module load hydra/3.4.2-gcccore-7.3.0	✅
module load hydra/3.4.2-gcc-9.3.0	❎
module load hydra/3.4.2-gcc-10.3.0	❎

hyperqueue

HyperQueue lets you build a computation plan consisting of a large amount of tasks and then execute it transparently over a system like SLURM/PBS. It dynamically groups jobs into SLURM/PBS jobs and distributes them to fully utilize allocated nodes. You thus do not have to manually aggregate your tasks into SLURM/PBS jobs.

Versions:

Module	Default
module load hyperqueue/0.14.0	✅

hypothesis

Hypothesis is an advanced testing library for Python. It lets you write tests which are parametrized by a source of examples, and then generates simple and comprehensible examples that make your tests fail. This lets you find more bugs in your code with less work.

Versions:

Module	Default
module load hypothesis/6.46.7-gcccore-11.3.0	✅
module load hypothesis/6.14.6-gcccore-11.2.0	❎
module load hypothesis/6.13.1-gcccore-10.3.0	❎
module load hypothesis/5.41.5-gcccore-10.2.0	❎
module load hypothesis/5.41.2-gcccore-10.2.0	❎
module load hypothesis/4.57.1-gcccore-11.2.0-python-2.7.18	❎

hypre

Hypre is a library for solving large, sparse linear systems of equations on massively parallel computers. The problems of interest arise in the simulation codes being developed at LLNL and elsewhere to study physical phenomena in the defense, environmental, energy, and biological sciences.

Versions:

Module	Default
module load hypre/2.24.0-foss-2021b	✅

icc

Intel C and C++ compilers

Versions:

Module	Default
module load icc/2018.3.222-gcc-7.3.0-2.30	✅

iccifort

Intel C, C++ & Fortran compilers

Versions:

Module	Default
module load iccifort/2020.4.304	✅
module load iccifort/2020.1.217	❎
module load iccifort/2019.5.281	❎
module load iccifort/2018.3.222-gcc-7.3.0-2.30	❎

iccifortcuda

Intel C, C++ & Fortran compilers with CUDA toolkit

Versions:

Module	Default
module load iccifortcuda/2020b	✅
module load iccifortcuda/2020a	❎
module load iccifortcuda/2019b	❎

icu

ICU is a mature, widely used set of C/C++ and Java libraries providing Unicode and Globalization support for software applications.

Versions:

Module	Default
module load icu/71.1-gcccore-11.3.0	✅
module load icu/69.1-gcccore-11.2.0	❎
module load icu/69.1-gcccore-10.3.0	❎
module load icu/69.1	❎
module load icu/67.1-gcccore-10.2.0	❎

ifort

Intel Fortran compiler

Versions:

Module	Default
module load ifort/2018.3.222-gcc-7.3.0-2.30	✅

iimpi

Intel C/C++ and Fortran compilers, alongside Intel MPI.

Versions:

Module	Default
module load iimpi/2022b	✅
module load iimpi/2021b	❎
module load iimpi/2021a	❎
module load iimpi/2020b	❎
module load iimpi/2020a	❎

iimpic

Intel C/C++ and Fortran compilers, alongside Intel MPI and CUDA.

Versions:

Module	Default
module load iimpic/2020b	✅
module load iimpic/2020a	❎

imagemagick

ImageMagick is a software suite to create, edit, compose, or convert bitmap images

Versions:

Module	Default
module load imagemagick/7.1.0-4-gcccore-11.2.0	❎
module load imagemagick/7.1.0-37-gcccore-11.3.0	✅
module load imagemagick/7.0.11-14-gcccore-10.3.0	❎
module load imagemagick/7.0.10-35-gcccore-10.2.0	❎

imake

imake is a Makefile-generator that is intended to make it easier to develop software portably for multiple systems.

Versions:

Module	Default
module load imake/1.0.8-gcccore-11.2.0	✅

imath

Imath is a C++ and python library of 2D and 3D vector, matrix, and math operations for computer graphics

Versions:

Module	Default
module load imath/3.1.5-gcccore-11.3.0	✅

imkl-fftw

FFTW interfaces using Intel oneAPI Math Kernel Library

Versions:

Module	Default
module load imkl-fftw/2022.2.1-iimpi-2022b	✅
module load imkl-fftw/2021.4.0-iimpi-2021b	❎

imkl

Intel Math Kernel Library is a library of highly optimized, extensively threaded math routines for science, engineering, and financial applications that require maximum performance. Core math functions include BLAS, LAPACK, ScaLAPACK, Sparse Solvers, Fast Fourier Transforms, Vector Math, and more.

Versions:

Module	Default
module load imkl/2022.2.1	✅
module load imkl/2022.0.1	❎
module load imkl/2021.4.0	❎
module load imkl/2021.2.0-iompi-2021a	❎
module load imkl/2021.2.0-iimpi-2021a	❎
module load imkl/2020.4.304-iompi-2020b	❎
module load imkl/2020.4.304-iimpic-2020b	❎
module load imkl/2020.4.304-iimpi-2020b	❎
module load imkl/2020.4.304-gompic-2020b	❎
module load imkl/2020.1.217-iimpic-2020a	❎
module load imkl/2020.1.217-iimpi-2020a	❎

imod

IMOD is a set of image processing, modeling and display programs used for tomographic reconstruction and for 3D reconstruction of EM serial sections and optical sections.

Versions:

Module	Default
module load imod/4.11.24-cuda-10.1	✅

impi

Intel MPI Library, compatible with MPICH ABI

Versions:

Module	Default
module load impi/2021.7.1-intel-compilers-2022.2.1	✅
module load impi/2021.4.0-intel-compilers-2021.4.0	❎
module load impi/2021.2.0-intel-compilers-2021.2.0	❎
module load impi/2021.1.1-intel-compilers-2021.1.2	❎
module load impi/2019.9.304-iccifortcuda-2020b	❎
module load impi/2019.9.304-iccifort-2020.4.304	❎
module load impi/2019.7.217-iccifortcuda-2020a	❎
module load impi/2019.7.217-iccifort-2020.1.217	❎
module load impi/2018.3.222-iccifort-2018.3.222-GCC-7.3.0-2.30	❎

infernal

Infernal ("INFERence of RNA ALignment

Versions:

Module	Default
module load infernal/1.1.4-intel-2021a	✅
module load infernal/1.1.4-foss-2021b	❎

intel-compilers

Intel C, C++ & Fortran compilers (classic and oneAPI)

Versions:

Module	Default
module load intel-compilers/2023.0.0	✅
module load intel-compilers/2022.2.1	❎
module load intel-compilers/2022.0.1	❎
module load intel-compilers/2021.4.0	❎
module load intel-compilers/2021.3.0	❎
module load intel-compilers/2021.2.0	❎
module load intel-compilers/2021.1.2	❎

intel

Compiler toolchain including Intel compilers, Intel MPI and Intel Math Kernel Library (MKL).

Versions:

Module	Default
module load intel/2022b	✅
module load intel/2021b	❎
module load intel/2021a	❎
module load intel/2020b	❎
module load intel/2020a	❎

intelcuda

Intel Cluster Toolkit Compiler Edition provides Intel C/C++ and Fortran compilers, Intel MPI & Intel MKL, with CUDA toolkit

Versions:

Module	Default
module load intelcuda/2020b	✅
module load intelcuda/2020a	❎

intltool

intltool is a set of tools to centralize translation of many different file formats using GNU gettext-compatible PO files.

Versions:

Module	Default
module load intltool/0.51.0-gcccore-9.3.0	❎
module load intltool/0.51.0-gcccore-8.3.0	❎
module load intltool/0.51.0-gcccore-11.3.0	❎
module load intltool/0.51.0-gcccore-11.2.0	❎
module load intltool/0.51.0-gcccore-10.3.0	❎
module load intltool/0.51.0-gcccore-10.2.0	❎
module load intltool/0.51.0	✅

inversion

Versions:

Module	Default
module load inversion/1.0	✅

iomkl

Intel Cluster Toolchain Compiler Edition provides Intel C/C++ and Fortran compilers, Intel MKL & OpenMPI.

Versions:

Module	Default
module load iomkl/2021b	✅
module load iomkl/2021a	❎
module load iomkl/2020b	❎

iompi

Intel C/C++ and Fortran compilers, alongside Open MPI.

Versions:

Module	Default
module load iompi/2021b	✅
module load iompi/2021a	❎
module load iompi/2020b	❎

ipp

Intel Integrated Performance Primitives (Intel IPP) is an extensive library of multicore-ready, highly optimized software functions for multimedia, data processing, and communications applications. Intel IPP offers thousands of optimized functions covering frequently used fundamental algorithms.

Versions:

Module	Default
module load ipp/2021.7.0	✅

ipython

IPython provides a rich architecture for interactive computing with: Powerful interactive shells (terminal and Qt-based). A browser-based notebook with support for code, text, mathematical expressions, inline plots and other rich media. Support for interactive data visualization and use of GUI toolkits. Flexible, embeddable interpreters to load into your own projects. Easy to use, high performance tools for parallel computing.

Versions:

Module	Default
module load ipython/8.5.0-gcccore-11.3.0	✅
module load ipython/7.26.0-gcccore-11.2.0	❎
module load ipython/7.25.0-gcccore-10.3.0	❎
module load ipython/7.18.1-gcccore-10.2.0	❎

isa-l

Intelligent Storage Acceleration Library

Versions:

Module	Default
module load isa-l/2.30.0-gcccore-11.2.0	✅

isight

SIMULA Isight.

Versions:

Module	Default
module load isight/2022	✅

isl

isl is a library for manipulating sets and relations of integer points bounded by linear constraints.

Versions:

Module	Default
module load isl/0.24-gcccore-11.2.0	✅
module load isl/0.23-gcccore-10.3.0	❎

itac

The Intel Trace Collector is a low-overhead tracing library that performs event-based tracing in applications. The Intel Trace Analyzer provides a convenient way to monitor application activities gathered by the Intel Trace Collector through graphical displays.

Versions:

Module	Default
module load itac/2021.8.0	✅

jansson

Jansson is a C library for encoding, decoding and manipulating JSON data. Its main features and design principles are: Simple and intuitive API and data model Comprehensive documentation No dependencies on other libraries Full Unicode support (UTF-8) * Extensive test suite

Versions:

Module	Default
module load jansson/2.13.1-gcc-11.2.0	✅

jasper

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.

Versions:

Module	Default
module load jasper/2.0.33-gcccore-11.3.0	✅
module load jasper/2.0.33-gcccore-11.2.0	❎
module load jasper/2.0.28-gcccore-10.3.0	❎
module load jasper/2.0.24-gcccore-10.2.0	❎
module load jasper/2.0.14-gcccore-8.3.0	❎

java

Java Platform, Standard Edition (Java SE) lets you develop and deploy Java applications on desktops and servers.

Versions:

Module	Default
module load java/17.0.4	✅
module load java/17.0.2	❎
module load java/13.0.2	❎
module load java/11.0.2	❎

jax

Composable transformations of Python+NumPy programs: differentiate, vectorize, JIT to GPU/TPU, and more

Versions:

Module	Default
module load jax/0.2.24-foss-2021a	✅

jbigkit

JBIG-KIT is a software implementation of the JBIG1 data compression standard (ITU-T T.82), which was designed for bi-level image data, such as scanned documents.

Versions:

Module	Default
module load jbigkit/2.1-gcccore-11.3.0	❎
module load jbigkit/2.1-gcccore-11.2.0	❎
module load jbigkit/2.1-gcccore-10.2.0	❎
module load jbigkit/2.1	✅

jellyfish

Jellyfish is a tool for fast, memory-efficient counting of k-mers in DNA.

Versions:

Module	Default
module load jellyfish/2.3.0-gcc-11.2.0	✅
module load jellyfish/2.3.0-gcc-10.3.0	❎

jemalloc

jemalloc is a general purpose malloc(3) implementation that emphasizes fragmentation avoidance and scalable concurrency support.

Versions:

Module	Default
module load jemalloc/5.2.1-gcccore-11.2.0	✅
module load jemalloc/5.2.1-gcccore-10.3.0	❎

jq

jq is a lightweight and flexible command-line JSON processor.

Versions:

Module	Default
module load jq/1.6-gcccore-11.2.0	✅

jsoncpp

JsonCpp is a C++ library that allows manipulating JSON values, including serialization and deserialization to and from strings. It can also preserve existing comment in unserialization/serialization steps, making it a convenient format to store user input files.

Versions:

Module	Default
module load jsoncpp/1.9.5-gcccore-11.3.0	✅
module load jsoncpp/1.9.4-gcccore-11.2.0	❎
module load jsoncpp/1.9.4-gcccore-10.3.0	❎
module load jsoncpp/1.9.4-gcccore-10.2.0	❎

julia

Julia is a high-level, high-performance dynamic programming language for numerical computing

Versions:

Module	Default
module load julia/1.9.0-linux-x86_64	✅
module load julia/1.7.2-linux-x86_64	❎

jupyter-server

The Jupyter Server provides the backend (i.e. the core services, APIs, and REST endpoints) for Jupyter web applications like Jupyter notebook, JupyterLab, and Voila.

Versions:

Module	Default
module load jupyter-server/1.21.0-gcccore-11.3.0	✅

jupyterlab

JupyterLab is the next-generation user interface for Project Jupyter offering all the familiar building blocks of the classic Jupyter Notebook (notebook, terminal, text editor, file browser, rich outputs, etc.) in a flexible and powerful user interface. JupyterLab will eventually replace the classic Jupyter Notebook.

Versions:

Module	Default
module load jupyterlab/3.5.0-gcccore-11.3.0	✅
module load jupyterlab/3.2.8-gcccore-10.3.0	❎
module load jupyterlab/3.1.6-gcccore-11.2.0	❎
module load jupyterlab/2.2.8-gcccore-10.2.0	❎

kahip

The graph partitioning framework KaHIP -- Karlsruhe High Quality Partitioning.

Versions:

Module	Default
module load kahip/3.14-gompi-2022a	✅

kallisto

kallisto is a program for quantifying abundances of transcripts from RNA-Seq data, or more generally of target sequences using high-throughput sequencing reads.

Versions:

Module	Default
module load kallisto/0.48.0-gompi-2021b	✅
module load kallisto/0.46.2-foss-2021a	❎

krakenuniq

Kraken is a system for assigning taxonomic labels to short DNA sequences, usually obtained through metagenomic studies. Previous attempts by other bioinformatics software to accomplish this task have often used sequence alignment or machine learning techniques that were quite slow, leading to the development of less sensitive but much faster abundance estimation programs. Kraken aims to achieve high sensitivity and high speed by utilizing exact alignments of k-mers and a novel classification algorithm.

Versions:

Module	Default
module load krakenuniq/1.0.4-gompi-2021b	❎
module load krakenuniq/1.0.4	✅

lame

LAME is a high quality MPEG Audio Layer III (MP3) encoder licensed under the LGPL.

Versions:

Module	Default
module load lame/3.100-gcccore-11.3.0	✅
module load lame/3.100-gcccore-11.2.0	❎
module load lame/3.100-gcccore-10.3.0	❎
module load lame/3.100-gcccore-10.2.0	❎

lammps

LAMMPS Molecular Dynamics Simulator

Versions:

Module	Default
module load lammps/31aug2021-intel-2021a	❎
module load lammps/30jul2021-intel-2021b	❎
module load lammps/30jul2021-intel-2021a-cuda-11.6.0	❎
module load lammps/30jul2021-intel-2021a	❎
module load lammps/28mar2023-intel-2021b-update1	❎
module load lammps/24mar2022-intel-2021b	❎
module load lammps/23jun2022-intel-2021b-update4-smallbig	❎
module load lammps/23jun2022-intel-2021b-update4	❎
module load lammps/23jun2022-intel-2021b	✅

libarchive

Multi-format archive and compression library

Versions:

Module	Default
module load libarchive/3.6.1-gcccore-12.2.0	✅
module load libarchive/3.6.1-gcccore-11.3.0	❎
module load libarchive/3.5.1-gcccore-11.2.0	❎
module load libarchive/3.5.1-gcccore-10.3.0	❎
module load libarchive/3.5.1	❎
module load libarchive/3.4.3-gcccore-11.2.0	❎
module load libarchive/3.4.3-gcccore-10.2.0	❎

libcerf

libcerf is a self-contained numeric library that provides an efficient and accurate implementation of complex error functions, along with Dawson, Faddeeva, and Voigt functions.

Versions:

Module	Default
module load libcerf/2.1-gcccore-11.3.0	✅
module load libcerf/1.17-gcccore-11.2.0	❎
module load libcerf/1.17-gcccore-10.3.0	❎
module load libcerf/1.14-gcccore-10.2.0	❎

libcircle

An API to provide an efficient distributed queue on a cluster. libcircle is an API for distributing embarrassingly parallel workloads using self-stabilization.

Versions:

Module	Default
module load libcircle/0.3-gompi-2021b	✅

libctl

libctl is a free Guile-based library implementing flexible control files for scientific simulations.

Versions:

Module	Default
module load libctl/4.5.1-gcccore-11.2.0	✅
module load libctl/4.1.3-gcccore-11.2.0	❎

libdeflate

Heavily optimized library for DEFLATE/zlib/gzip compression and decompression.

Versions:

Module	Default
module load libdeflate/1.8-gcccore-11.2.0	❎
module load libdeflate/1.10-gcccore-11.3.0	✅

libdrm

Direct Rendering Manager runtime library.

Versions:

Module	Default
module load libdrm/2.4.99-gcccore-8.3.0	❎
module load libdrm/2.4.110-gcccore-11.3.0	✅
module load libdrm/2.4.107-gcccore-11.2.0	❎
module load libdrm/2.4.107	❎
module load libdrm/2.4.106-gcccore-10.3.0	❎
module load libdrm/2.4.102-gcccore-10.2.0	❎
module load libdrm/2.4.100-gcccore-9.3.0	❎

libdwarf

The DWARF Debugging Information Format is of interest to programmers working on compilers and debuggers (and anyone interested in reading or writing DWARF information))

Versions:

Module	Default
module load libdwarf/20210528-gcccore-11.2.0	✅

libelf

libelf is a free ELF object file access library

Versions:

Module	Default
module load libelf/0.8.13-gcccore-11.2.0	✅

libepoxy

Epoxy is a library for handling OpenGL function pointer management for you

Versions:

Module	Default
module load libepoxy/1.5.8-gcccore-11.2.0	❎
module load libepoxy/1.5.8	✅
module load libepoxy/1.5.4-gcccore-10.2.0	❎

libev

A full-featured and high-performance (see benchmark) event loop that is loosely modelled after libevent, but without its limitations and bugs. It is used in GNU Virtual Private Ethernet, rxvt-unicode, auditd, the Deliantra MORPG Server and Client, and many other programs.

Versions:

Module	Default
module load libev/4.33-gcc-11.2.0	✅

libevent

The libevent API provides a mechanism to execute a callback function when a specific event occurs on a file descriptor or after a timeout has been reached. Furthermore, libevent also support callbacks due to signals or regular timeouts.

Versions:

Module	Default
module load libevent/2.1.12-gcccore-11.3.0	❎
module load libevent/2.1.12-gcccore-11.2.0	❎
module load libevent/2.1.12-gcccore-10.3.0	❎
module load libevent/2.1.12-gcccore-10.2.0	❎
module load libevent/2.1.12	✅

libfabric

Libfabric is a core component of OFI. It is the library that defines and exports the user-space API of OFI, and is typically the only software that applications deal with directly. It works in conjunction with provider libraries, which are often integrated directly into libfabric.

Versions:

Module	Default
module load libfabric/1.15.1-gcccore-11.3.0	✅
module load libfabric/1.13.2-gcccore-11.2.0	❎
module load libfabric/1.13.2	❎
module load libfabric/1.13.0-gcccore-11.2.0	❎
module load libfabric/1.12.1-gcccore-10.3.0	❎
module load libfabric/1.11.0-gcccore-10.2.0	❎

libffi

The libffi library provides a portable, high level programming interface to various calling conventions. This allows a programmer to call any function specified by a call interface description at run-time.

Versions:

Module	Default
module load libffi/3.4.4-gcccore-12.2.0	✅
module load libffi/3.4.2-gcccore-11.3.0	❎
module load libffi/3.4.2-gcccore-11.2.0	❎
module load libffi/3.4.2	❎
module load libffi/3.3-gcccore-9.3.0	❎
module load libffi/3.3-gcccore-10.3.0	❎
module load libffi/3.3-gcccore-10.2.0	❎
module load libffi/3.2.1-gcccore-8.3.0	❎

libflame

libFLAME is a portable library for dense matrix computations, providing much of the functionality present in LAPACK.

Versions:

Module	Default
module load libflame/5.2.0-gcccore-10.2.0	✅

libgcrypt

Libgcrypt is a general purpose cryptographic library originally based on code from GnuPG

Versions:

Module	Default
module load libgcrypt/1.9.3-gcccore-11.2.0	❎
module load libgcrypt/1.9.3	✅

libgd

GD is an open source code library for the dynamic creation of images by programmers.

Versions:

Module	Default
module load libgd/2.3.3-gcccore-11.3.0	✅
module load libgd/2.3.3-gcccore-11.2.0	❎
module load libgd/2.3.1-gcccore-10.3.0	❎
module load libgd/2.3.0-gcccore-10.2.0	❎

libgdsii

libGDSII is a C++ library for working with GDSII binary data files, intended primarily for use with the computational electromagnetism codes scuff-em and meep but sufficiently general-purpose to allow other uses as well.

Versions:

Module	Default
module load libgdsii/0.21-gcccore-11.2.0	✅

libgeotiff

Library for reading and writing coordinate system information from/to GeoTIFF files

Versions:

Module	Default
module load libgeotiff/1.7.0-gcccore-11.2.0	✅
module load libgeotiff/1.6.0-gcccore-10.3.0	❎
module load libgeotiff/1.6.0-gcccore-10.2.0	❎

libgit2

libgit2 is a portable, pure C implementation of the Git core methods provided as a re-entrant linkable library with a solid API, allowing you to write native speed custom Git applications in any language which supports C bindings.

Versions:

Module	Default
module load libgit2/1.4.3-gcccore-11.3.0	✅
module load libgit2/1.1.1-gcccore-11.2.0	❎
module load libgit2/1.1.0-gcccore-10.3.0	❎

libglu

The OpenGL Utility Library (GLU) is a computer graphics library for OpenGL.

Versions:

Module	Default
module load libglu/9.0.2-gcccore-11.3.0	❎
module load libglu/9.0.2-gcccore-11.2.0	❎
module load libglu/9.0.2	✅
module load libglu/9.0.1-gcccore-9.3.0	❎
module load libglu/9.0.1-gcccore-10.3.0	❎
module load libglu/9.0.1-gcccore-10.2.0	❎

libglvnd

libglvnd is a vendor-neutral dispatch layer for arbitrating OpenGL API calls between multiple vendors.

Versions:

Module	Default
module load libglvnd/1.4.0-gcccore-11.3.0	✅
module load libglvnd/1.3.3-gcccore-11.2.0	❎
module load libglvnd/1.3.3-gcccore-10.3.0	❎
module load libglvnd/1.3.3	❎
module load libglvnd/1.3.2-gcccore-10.2.0	❎
module load libglvnd/1.2.0-gcccore-9.3.0	❎

libgpg-error

Libgpg-error is a small library that defines common error values for all GnuPG components.

Versions:

Module	Default
module load libgpg-error/1.42-gcccore-11.2.0	❎
module load libgpg-error/1.42	✅

libharu

libHaru is a free, cross platform, open source library for generating PDF files.

Versions:

Module	Default
module load libharu/2.3.0-gcccore-11.2.0	✅

libiconv

Libiconv converts from one character encoding to another through Unicode conversion

Versions:

Module	Default
module load libiconv/1.17-gcccore-11.3.0	✅
module load libiconv/1.16-gcccore-8.3.0	❎
module load libiconv/1.16-gcccore-11.2.0	❎
module load libiconv/1.16-gcccore-10.3.0	❎
module load libiconv/1.16-gcccore-10.2.0	❎

libidn

GNU Libidn is a fully documented implementation of the Stringprep, Punycode and IDNA specifications. Libidn's purpose is to encode and decode internationalized domain names.

Versions:

Module	Default
module load libidn/1.38-gcccore-11.2.0	✅
module load libidn/1.36-gcccore-10.3.0	❎
module load libidn/1.34-gcccore-10.3.0	❎

libidn2

Libidn2 implements the revised algorithm for internationalized domain names called IDNA2008/TR46.

Versions:

Module	Default
module load libidn2/2.3.2-gcccore-11.2.0	✅

libint

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.

Versions:

Module	Default
module load libint/2.7.2-gcc-11.3.0-lmax-6-cp2k	✅
module load libint/2.6.0-iimpi-2021a-lmax-6-cp2k	❎
module load libint/2.6.0-iccifort-2020.4.304-lmax-6-cp2k	❎
module load libint/2.6.0-gompi-2021b-lmax-6-cp2k	❎
module load libint/2.6.0-gcc-10.3.0-lmax-6-cp2k	❎
module load libint/1.1.6-intel-2020a	❎

libjpeg-turbo

libjpeg-turbo is a fork of the original IJG libjpeg which uses SIMD to accelerate baseline JPEG compression and decompression. libjpeg is a library that implements JPEG image encoding, decoding and transcoding.

Versions:

Module	Default
module load libjpeg-turbo/2.1.3-gcccore-11.3.0	✅
module load libjpeg-turbo/2.0.6-gcccore-11.2.0	❎
module load libjpeg-turbo/2.0.6-gcccore-10.3.0	❎
module load libjpeg-turbo/2.0.6	❎
module load libjpeg-turbo/2.0.5-gcccore-10.2.0	❎
module load libjpeg-turbo/2.0.4-gcccore-9.3.0	❎
module load libjpeg-turbo/2.0.3-gcccore-8.3.0	❎

libmad

MAD is a high-quality MPEG audio decoder.

Versions:

Module	Default
module load libmad/0.15.1b-gcccore-11.3.0	✅

libmatheval

GNU libmatheval is a library (callable from C and Fortran) to parse and evaluate symbolic expressions input as text.

Versions:

Module	Default
module load libmatheval/1.1.11-gcccore-9.3.0	✅

libmicrohttpd

GNU libmicrohttpd is a small C library that is supposed to make it easy to run an HTTP server as part of another application.

Versions:

Module	Default
module load libmicrohttpd/0.9.73-gcccore-11.2.0	✅

libnsl

The libnsl package contains the public client interface for NIS(YP).

Versions:

Module	Default
module load libnsl/1.3.0-gcccore-11.2.0	✅
module load libnsl/1.3.0-gcccore-10.3.0	❎

libogg

Ogg is a multimedia container format, and the native file and stream format for the Xiph.org multimedia codecs.

Versions:

Module	Default
module load libogg/1.3.5-gcccore-11.3.0	✅
module load libogg/1.3.5-gcccore-11.2.0	❎
module load libogg/1.3.4-gcccore-10.3.0	❎
module load libogg/1.3.4-gcccore-10.2.0	❎

libopus

Opus is a totally open, royalty-free, highly versatile audio codec. Opus is unmatched for interactive speech and music transmission over the Internet, but is also intended for storage and streaming applications. It is standardized by the Internet Engineering Task Force (IETF) as RFC 6716 which incorporated technology from Skype’s SILK codec and Xiph.Org’s CELT codec.

Versions:

Module	Default
module load libopus/1.3.1-gcccore-11.3.0	✅

libpciaccess

Generic PCI access library.

Versions:

Module	Default
module load libpciaccess/0.16-gcccore-9.3.0	❎
module load libpciaccess/0.16-gcccore-11.3.0	❎
module load libpciaccess/0.16-gcccore-11.2.0	❎
module load libpciaccess/0.16-gcccore-10.3.0	❎
module load libpciaccess/0.16-gcccore-10.2.0	❎
module load libpciaccess/0.16	✅
module load libpciaccess/0.14-gcccore-8.3.0	❎
module load libpciaccess/0.14-gcccore-7.3.0	❎

libpng

libpng is the official PNG reference library

Versions:

Module	Default
module load libpng/1.6.37-gcccore-9.3.0	❎
module load libpng/1.6.37-gcccore-8.3.0	❎
module load libpng/1.6.37-gcccore-11.3.0	❎
module load libpng/1.6.37-gcccore-11.2.0	❎
module load libpng/1.6.37-gcccore-10.3.0	❎
module load libpng/1.6.37-gcccore-10.2.0	❎
module load libpng/1.6.37	✅
module load libpng/1.2.59	❎

libpsl

C library for the Public Suffix List

Versions:

Module	Default
module load libpsl/0.21.1-gcccore-11.2.0	✅

libreadline

The GNU Readline library provides a set of functions for use by applications that allow users to edit command lines as they are typed in. Both Emacs and vi editing modes are available. The Readline library includes additional functions to maintain a list of previously-entered command lines, to recall and perhaps reedit those lines, and perform csh-like history expansion on previous commands.

Versions:

Module	Default
module load libreadline/8.2-gcccore-12.2.0	✅
module load libreadline/8.1.2-gcccore-11.3.0	❎
module load libreadline/8.1-gcccore-11.2.0	❎
module load libreadline/8.1-gcccore-10.3.0	❎
module load libreadline/8.1	❎
module load libreadline/8.0-gcccore-9.3.0	❎
module load libreadline/8.0-gcccore-8.3.0	❎
module load libreadline/8.0-gcccore-10.2.0	❎
module load libreadline/6.3	❎

librttopo

The RT Topology Library exposes an API to create and manage standard (ISO 13249 aka SQL/MM) topologies using user-provided data stores.

Versions:

Module	Default
module load librttopo/1.1.0-gcc-11.2.0	✅

libsigc++

The libsigc++ package implements a typesafe callback system for standard C++.

Versions:

Module	Default
module load libsigc++/2.10.8-gcccore-10.3.0	✅

libsndfile

Libsndfile is a C library for reading and writing files containing sampled sound (such as MS Windows WAV and the Apple/SGI AIFF format) through one standard library interface.

Versions:

Module	Default
module load libsndfile/1.1.0-gcccore-11.3.0	✅
module load libsndfile/1.0.31-gcccore-11.2.0	❎
module load libsndfile/1.0.31-gcccore-10.3.0	❎
module load libsndfile/1.0.28-gcccore-10.2.0	❎

libsodium

Sodium is a modern, easy-to-use software library for encryption, decryption, signatures, password hashing and more.

Versions:

Module	Default
module load libsodium/1.0.18-gcccore-11.3.0	✅
module load libsodium/1.0.18-gcccore-11.2.0	❎
module load libsodium/1.0.18-gcccore-10.3.0	❎
module load libsodium/1.0.18-gcccore-10.2.0	❎

libsoup

libsoup is an HTTP client/server library for GNOME. It uses GObjects and the glib main loop, to integrate well with GNOME applications, and also has a synchronous API, for use in threaded applications.

Versions:

Module	Default
module load libsoup/3.0.7-gcc-11.2.0	✅

libspatialindex

C++ implementation of R*-tree, an MVR-tree and a TPR-tree with C API

Versions:

Module	Default
module load libspatialindex/1.9.3-gcccore-11.2.0	✅

libspatialite

SpatiaLite is an open source library intended to extend the SQLite core to support fully fledged Spatial SQL capabilities.

Versions:

Module	Default
module load libspatialite/5.0.1-gcc-11.2.0	✅

libtasn1

Libtasn1 is the ASN.1 library used by GnuTLS, GNU Shishi and some other packages. It was written by Fabio Fiorina, and has been shipped as part of GnuTLS for some time but is now a proper GNU package.

Versions:

Module	Default
module load libtasn1/4.18.0-gcccore-11.2.0	✅

libtiff

tiff: Library and tools for reading and writing TIFF data files

Versions:

Module	Default
module load libtiff/4.3.0-gcccore-11.3.0	❎
module load libtiff/4.3.0-gcccore-11.2.0	❎
module load libtiff/4.3.0	✅
module load libtiff/4.2.0-gcccore-10.3.0	❎
module load libtiff/4.1.0-gcccore-9.3.0	❎
module load libtiff/4.1.0-gcccore-8.3.0	❎
module load libtiff/4.1.0-gcccore-10.2.0	❎

libtirpc

Libtirpc is a port of Suns Transport-Independent RPC library to Linux.

Versions:

Module	Default
module load libtirpc/1.3.2-gcccore-11.2.0	✅
module load libtirpc/1.3.2-gcccore-10.3.0	❎
module load libtirpc/1.3.1-gcccore-10.2.0	❎

libtool

GNU libtool is a generic library support script. Libtool hides the complexity of using shared libraries behind a consistent, portable interface.

Versions:

Module	Default
module load libtool/2.4.7-gcccore-12.2.0	✅
module load libtool/2.4.7-gcccore-11.3.0	❎
module load libtool/2.4.6-gcccore-9.3.0	❎
module load libtool/2.4.6-gcccore-8.3.0	❎
module load libtool/2.4.6-gcccore-7.3.0	❎
module load libtool/2.4.6-gcccore-11.2.0	❎
module load libtool/2.4.6-gcccore-10.3.0	❎
module load libtool/2.4.6-gcccore-10.2.0	❎
module load libtool/2.4.6	❎

libunistring

This library provides functions for manipulating Unicode strings and for manipulating C strings according to the Unicode standard.

Versions:

Module	Default
module load libunistring/1.0-gcccore-11.2.0	✅
module load libunistring/0.9.10-gcccore-9.3.0	❎

libunwind

The primary goal of libunwind is to define a portable and efficient C programming interface (API) to determine the call-chain of a program. The API additionally provides the means to manipulate the preserved (callee-saved) state of each call-frame and to resume execution at any point in the call-chain (non-local goto). The API supports both local (same-process) and remote (across-process) operation. As such, the API is useful in a number of applications

Versions:

Module	Default
module load libunwind/1.6.2-gcccore-11.3.0	✅
module load libunwind/1.5.0-gcccore-11.2.0	❎
module load libunwind/1.5.0	❎
module load libunwind/1.4.0-gcccore-10.3.0	❎
module load libunwind/1.4.0-gcccore-10.2.0	❎
module load libunwind/1.3.1-gcccore-9.3.0	❎

libvdwxc

libvdwxc is a general library for evaluating energy and potential for exchange-correlation (XC) functionals from the vdW-DF family that can be used with various of density functional theory (DFT) codes.

Versions:

Module	Default
module load libvdwxc/0.4.0-foss-2021a	✅

libvmaf

VMAF is an Emmy-winning perceptual video quality assessment algorithm developed by Netflix.

Versions:

Module	Default
module load libvmaf/2.3.1-gcccore-11.3.0	✅

libvorbis

Ogg Vorbis is a fully open, non-proprietary, patent-and-royalty-free, general-purpose compressed audio format

Versions:

Module	Default
module load libvorbis/1.3.7-gcccore-11.3.0	✅
module load libvorbis/1.3.7-gcccore-11.2.0	❎
module load libvorbis/1.3.7-gcccore-10.3.0	❎
module load libvorbis/1.3.7-gcccore-10.2.0	❎

libwebp

WebP is a modern image format that provides superior lossless and lossy compression for images on the web. Using WebP, webmasters and web developers can create smaller, richer images that make the web faster.

Versions:

Module	Default
module load libwebp/1.2.0-gcccore-11.2.0	✅
module load libwebp/1.1.0-gcccore-10.2.0	❎

libwpe

WPE is the reference WebKit port for embedded and low-consumption computer devices. It has been designed from the ground-up with performance, small footprint, accelerated content rendering, and simplicity of deployment in mind, bringing the excellence of the WebKit engine to countless platforms and target devices.

Versions:

Module	Default
module load libwpe/1.13.3-gcccore-11.2.0	✅

libxc

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.

Versions:

Module	Default
module load libxc/6.1.0-intel-compilers-2022.2.1	✅
module load libxc/5.1.6-intel-compilers-2021.4.0	❎
module load libxc/5.1.6-gcc-11.2.0	❎
module load libxc/5.1.5-intel-compilers-2021.2.0	❎
module load libxc/5.1.5-gcc-10.3.0	❎
module load libxc/5.1.2-iccifort-2020.4.304	❎
module load libxc/4.3.4-intel-compilers-2021.4.0	❎
module load libxc/4.3.4-intel-compilers-2021.2.0	❎
module load libxc/4.3.4-iccifort-2020.4.304	❎
module load libxc/4.3.4-iccifort-2020.1.217	❎
module load libxc/4.3.4-iccifort-2019.5.281	❎
module load libxc/4.3.4-gcc-11.2.0	❎
module load libxc/4.3.4-gcc-10.2.0	❎
module load libxc/4.2.3-foss-2019b	❎

libxml++

libxml++ is a C++ wrapper for the libxml XML parser library.

Versions:

Module	Default
module load libxml++/2.42.1-gcc-10.3.0	✅

libxml2

Libxml2 is the XML C parser and toolchain developed for the Gnome project (but usable outside of the Gnome platform).

Versions:

Module	Default
module load libxml2/2.9.9-gcccore-8.3.0	❎
module load libxml2/2.9.8-gcccore-7.3.0	❎
module load libxml2/2.9.13-gcccore-11.3.0	❎
module load libxml2/2.9.10-gcccore-9.3.0	❎
module load libxml2/2.9.10-gcccore-11.2.0	❎
module load libxml2/2.9.10-gcccore-10.3.0	❎
module load libxml2/2.9.10-gcccore-10.2.0	❎
module load libxml2/2.9.10	❎
module load libxml2/2.10.3-gcccore-12.2.0	✅

libxslt

Libxslt is the XSLT C library developed for the GNOME project (but usable outside of the Gnome platform).

Versions:

Module	Default
module load libxslt/1.1.34-gcccore-11.3.0	✅
module load libxslt/1.1.34-gcccore-11.2.0	❎
module load libxslt/1.1.34-gcccore-10.3.0	❎

libxsmm

LIBXSMM is a library for small dense and small sparse matrix-matrix multiplications targeting Intel Architecture (x86).

Versions:

Module	Default
module load libxsmm/1.17-gcc-11.2.0	✅
module load libxsmm/1.16.2-intel-compilers-2021.2.0	❎
module load libxsmm/1.16.2-gcc-10.3.0	❎
module load libxsmm/1.16.1-iccifort-2020.4.304	❎
module load libxsmm/1.16.1-iccifort-2020.1.217	❎

libyaml

LibYAML is a YAML parser and emitter written in C.

Versions:

Module	Default
module load libyaml/0.2.5-gcccore-11.2.0	✅
module load libyaml/0.2.5-gcccore-10.3.0	❎
module load libyaml/0.2.5-gcccore-10.2.0	❎

libzip

libzip is a C library for reading, creating, and modifying zip archives.

Versions:

Module	Default
module load libzip/1.7.3-gcccore-11.2.0	✅

littlecms

Little CMS intends to be an OPEN SOURCE small-footprint color management engine, with special focus on accuracy and performance.

Versions:

Module	Default
module load littlecms/2.13.1-gcccore-11.3.0	✅
module load littlecms/2.12-gcccore-11.2.0	❎
module load littlecms/2.12-gcccore-10.3.0	❎
module load littlecms/2.11-gcccore-10.2.0	❎

llvm

The LLVM Core libraries provide a modern source- and target-independent optimizer, along with code generation support for many popular CPUs (as well as some less common ones!) These libraries are built around a well specified code representation known as the LLVM intermediate representation ("LLVM IR

Versions:

Module	Default
module load llvm/9.0.1-gcccore-9.3.0	❎
module load llvm/14.0.3-gcccore-11.3.0	✅
module load llvm/12.0.1-gcccore-11.2.0	❎
module load llvm/12.0.1	❎
module load llvm/11.1.0-gcccore-10.3.0	❎
module load llvm/11.0.0-gcccore-10.2.0	❎

lmdb

LMDB is a fast, memory-efficient database. With memory-mapped files, it has the read performance of a pure in-memory database while retaining the persistence of standard disk-based databases.

Versions:

Module	Default
module load lmdb/0.9.29-gcccore-11.3.0	✅
module load lmdb/0.9.29-gcccore-11.2.0	❎
module load lmdb/0.9.28-gcccore-10.3.0	❎
module load lmdb/0.9.24-gcccore-10.2.0	❎

lmod

Lmod is a Lua based module system. Modules allow for dynamic modification of a user's environment under Unix systems. See for a complete description. Lmod is a new implementation that easily handles the MODULEPATH Hierarchical problem. It is drop-in replacement for TCL/C modules and reads TCL modulefiles directly.

Versions:

Module	Default
module load lmod/8.5.8	✅
module load lmod/7.3	❎

locarna

The Vienna RNA Package consists of a C code library and several stand-alone programs for the prediction and comparison of RNA secondary structures.

Versions:

Module	Default
module load locarna/1.9.2.1-foss-2021b	✅

lpsolve

Mixed Integer Linear Programming (MILP) solver

Versions:

Module	Default
module load lpsolve/5.5.2.11-gcc-11.2.0	✅
module load lpsolve/5.5.2.11-gcc-10.2.0	❎

lua

Lua is a powerful, fast, lightweight, embeddable scripting language. Lua combines simple procedural syntax with powerful data description constructs based on associative arrays and extensible semantics. Lua is dynamically typed, runs by interpreting bytecode for a register-based virtual machine, and has automatic memory management with incremental garbage collection, making it ideal for configuration, scripting, and rapid prototyping.

Versions:

Module	Default
module load lua/5.4.4-gcccore-11.3.0	✅
module load lua/5.4.3-gcccore-11.2.0	❎
module load lua/5.4.3-gcccore-10.3.0	❎
module load lua/5.4.2-gcccore-10.2.0	❎
module load lua/5.1.4-8	❎

lwgrp

The light-weight group library defines data structures and collective operations to group MPI processes as an ordered set. Such groups are useful as substitutes for MPI communicators when the overhead of communicator creation is too costly. For example, certain sorting algorithms recursively divide processes into subgroups as the sort algorithm progresses. These groups may be different with each invocation, so that it is inefficient to create and destroy communicators during the sort routine.

Versions:

Module	Default
module load lwgrp/1.0.3-gompi-2021b	✅

lxml

The lxml XML toolkit is a Pythonic binding for the C libraries libxml2 and libxslt.

Versions:

Module	Default
module load lxml/4.9.1-gcccore-11.3.0	✅
module load lxml/4.6.3-gcccore-11.2.0	❎

lz4

LZ4 is lossless compression algorithm, providing compression speed at 400 MB/s per core. It features an extremely fast decoder, with speed in multiple GB/s per core.

Versions:

Module	Default
module load lz4/1.9.3-gcccore-11.3.0	❎
module load lz4/1.9.3-gcccore-11.2.0	❎
module load lz4/1.9.3-gcccore-10.3.0	❎
module load lz4/1.9.3	✅
module load lz4/1.9.2-gcccore-9.3.0	❎
module load lz4/1.9.2-gcccore-10.2.0	❎

m4

GNU M4 is an implementation of the traditional Unix macro processor. It is mostly SVR4 compatible although it has some extensions (for example, handling more than 9 positional parameters to macros). GNU M4 also has built-in functions for including files, running shell commands, doing arithmetic, etc.

Versions:

Module	Default
module load m4/1.4.19-gcccore-12.2.0	❎
module load m4/1.4.19-gcccore-11.3.0	❎
module load m4/1.4.19-gcccore-11.2.0	❎
module load m4/1.4.19	✅
module load m4/1.4.18-gcccore-9.3.0	❎
module load m4/1.4.18-gcccore-8.3.0	❎
module load m4/1.4.18-gcccore-7.3.0	❎
module load m4/1.4.18-gcccore-10.3.0	❎
module load m4/1.4.18-gcccore-10.2.0	❎
module load m4/1.4.18	❎
module load m4/1.4.17	❎

macrodensity

ASE is a python package providing an open source Atomic Simulation Environment in the Python scripting language. From version 3.20.1 we also include the ase-ext package, it contains optional reimplementations in C of functions in ASE. ASE uses it automatically when installed.

Versions:

Module	Default
module load macrodensity/1bf513c-intel-2021b	✅

maeparser

maeparser is a parser for Schrodinger Maestro files.

Versions:

Module	Default
module load maeparser/1.3.0-gompi-2021b	✅
module load maeparser/1.3.0-gompi-2021a	❎

magma

The MAGMA project aims to develop a dense linear algebra library similar to LAPACK but for heterogeneous/hybrid architectures, starting with current Multicore+GPU systems.

Versions:

Module	Default
module load magma/2.6.1-foss-2021a-cuda-11.3.1	✅
module load magma/2.5.4-fosscuda-2020b	❎

make

GNU version of make utility

Versions:

Module	Default
module load make/4.3-gcccore-11.2.0	✅
module load make/4.3-gcccore-10.3.0	❎
module load make/4.3-gcccore-10.2.0	❎

makedepend

The makedepend package contains a C-preprocessor like utility to determine build-time dependencies.

Versions:

Module	Default
module load makedepend/1.0.6-gcccore-11.2.0	✅

makeinfo

makeinfo is part of the Texinfo project, the official documentation format of the GNU project.

Versions:

Module	Default
module load makeinfo/6.8-gcccore-11.2.0	✅
module load makeinfo/6.7-gcccore-9.3.0	❎
module load makeinfo/6.7-gcccore-8.3.0	❎
module load makeinfo/6.7-gcccore-11.2.0-minimal	❎
module load makeinfo/6.7-gcccore-10.3.0	❎
module load makeinfo/6.7-gcccore-10.2.0	❎

mako

A super-fast templating language that borrows the best ideas from the existing templating languages

Versions:

Module	Default
module load mako/1.2.0-gcccore-11.3.0	✅
module load mako/1.1.4-gcccore-11.2.0	❎
module load mako/1.1.4-gcccore-10.3.0	❎
module load mako/1.1.4	❎
module load mako/1.1.3-gcccore-10.2.0	❎
module load mako/1.1.2-gcccore-9.3.0	❎
module load mako/1.1.0-gcccore-8.3.0	❎

mapdamage

mapDamage2 is a computational framework written in Python and R, which tracks and quantifies DNA damage patterns among ancient DNA sequencing reads generated by Next-Generation Sequencing platforms.

Versions:

Module	Default
module load mapdamage/2.2.1-foss-2021b	✅

maple

SIMPSON

Versions:

Module	Default
module load maple/2022.2	✅
module load maple/2021.1	❎

math-complex

Complex numbers and associated mathematical functions and trigonometric functions

Versions:

Module	Default
module load math-complex/1.59	✅

mathematica

Mathematica is a computational software program used in many scientific, engineering, mathematical and computing fields.

Versions:

Module	Default
module load mathematica/13.1.0	✅

matio

matio is an C library for reading and writing Matlab MAT files.

Versions:

Module	Default
module load matio/1.5.17-gcccore-8.3.0	✅
module load matio/1.5.12-gcccore-8.3.0	❎

matlab

MATLAB: The Language of Technical Computing

Versions:

Module	Default
module load matlab/R2023a	✅
module load matlab/R2022b	❎
module load matlab/R2021a	❎

matplotlib

matplotlib is a python 2D plotting library which produces publication quality figures in a variety of hardcopy formats and interactive environments across platforms. matplotlib can be used in python scripts, the python and ipython shell, web application servers, and six graphical user interface toolkits.

Versions:

Module	Default
module load matplotlib/3.5.2-foss-2022a	✅
module load matplotlib/3.4.3-intel-2021b	❎
module load matplotlib/3.4.3-foss-2021b	❎
module load matplotlib/3.4.2-foss-2021a	❎
module load matplotlib/3.3.3-intel-2020b	❎
module load matplotlib/3.3.3-fosscuda-2020b	❎
module load matplotlib/2.2.5-foss-2021b-python-2.7.18	❎

mcpartools

mcpartools is a software simplifying time consuming simulation of particle transport using Monte Carlo codes (Fluka, SHIELDHIT12A).

Versions:

Module	Default
module load mcpartools/0.6.2-gcccore-11.2.0-python-3.9.6	✅

mctc-lib

Modular computation tool chain library.

Versions:

Module	Default
module load mctc-lib/0.3.1-gcccore-11.2.0	✅

meeko

Meeko: preparation of small molecules for AutoDock

Versions:

Module	Default
module load meeko/0.3.3-foss-2021a	✅

meep

Meep (or MEEP) is a free finite-difference time-domain (FDTD) simulation software package developed at MIT to model electromagnetic systems.

Versions:

Module	Default
module load meep/1.23.0-intel-2021b-python-3.9.6	✅

mesa

Mesa is an open-source implementation of the OpenGL specification - a system for rendering interactive 3D graphics.

Versions:

Module	Default
module load mesa/22.0.3-gcccore-11.3.0	✅
module load mesa/21.1.7-gcccore-11.2.0	❎
module load mesa/21.1.7	❎
module load mesa/21.1.1-gcccore-10.3.0	❎
module load mesa/20.2.1-gcccore-10.2.0	❎
module load mesa/20.0.2-gcccore-9.3.0	❎

meson

Meson is a cross-platform build system designed to be both as fast and as user friendly as possible.

Versions:

Module	Default
module load meson/0.62.1-gcccore-11.3.0	✅
module load meson/0.58.2-gcccore-11.2.0	❎
module load meson/0.58.2	❎
module load meson/0.58.0-gcccore-10.3.0	❎
module load meson/0.55.3-gcccore-10.2.0	❎
module load meson/0.55.1-gcccore-9.3.0-python-3.8.2	❎
module load meson/0.51.2-gcccore-8.3.0-python-3.7.4	❎

met

MET is designed to be a highly-configurable, state-of-the-art suite of verification tools. It was developed using output from the Weather Research and Forecasting (WRF) modeling system but may be applied to the output of other modeling systems as well.

Versions:

Module	Default
module load met/10.1.2-foss-2021b	✅

metaeuk

MetaEuk is a modular toolkit designed for large-scale gene discovery and annotation in eukaryotic metagenomic contigs.

Versions:

Module	Default
module load metaeuk/4-gcc-11.2.0	✅
module load metaeuk/4-gcc-10.2.0	❎

metis

METIS is a set of serial programs for partitioning graphs, partitioning finite element meshes, and producing fill reducing orderings for sparse matrices. The algorithms implemented in METIS are based on the multilevel recursive-bisection, multilevel k-way, and multi-constraint partitioning schemes.

Versions:

Module	Default
module load metis/5.1.0-gcccore-8.3.0	❎
module load metis/5.1.0-gcccore-11.3.0	✅
module load metis/5.1.0-gcccore-11.2.0	❎
module load metis/5.1.0-gcccore-10.3.0	❎
module load metis/5.1.0-gcccore-10.2.0	❎

miniconda3

Miniconda is a free minimal installer for conda. It is a small, bootstrap version of Anaconda that includes only conda, Python, the packages they depend on, and a small number of other useful packages.

Versions:

Module	Default
module load miniconda3/4.9.2	❎
module load miniconda3/23.3.1-0	✅

minio-client

MinIO Client (mc) provides a modern alternative to UNIX commands like ls, cat, cp, mirror, diff, find etc. It supports filesystems and Amazon S3 compatible cloud storage service (AWS Signature v2 and v4).

Versions:

Module	Default
module load minio-client/2022-10-06t01-20-06z	✅

minizip

Mini zip and unzip based on zlib

Versions:

Module	Default
module load minizip/1.1-gcccore-11.2.0	✅

mm-common

The mm-common module provides the build infrastructure and utilities shared among the GNOME C++ binding libraries.

Versions:

Module	Default
module load mm-common/1.0.4-gcccore-10.3.0	✅

molpro

Molpro is a complete system of ab initio programs for molecular electronic structure calculations.

Versions:

Module	Default
module load molpro/2022.1.2-sockets	✅
module load molpro/2022.1.2-mpipr	❎
module load molpro/2019.2.3.linux_x86_64_openmp	❎
module load molpro/2015.1.44.linux_x86_64_openmp	❎

molscat

MOLSCAT is a general-purpose package for performing non-reactive quantum scattering calculations for atomic and molecular collisions using coupled-channel methods.

Versions:

Module	Default
module load molscat/2020.0-intel-compilers-2021.4.0	✅

monai

Medical Open Network for AI

Versions:

Module	Default
module load monai/1.0.1	✅

mopac

MOPAC is a semiempirical quantum chemistry software package for the prediction of chemical properties and modeling of chemical reactions

Versions:

Module	Default
module load mopac/22.0.6-intel-2021b	✅

motif

Motif refers to both a graphical user interface (GUI) specification and the widget toolkit for building applications that follow that specification under the X Window System on Unix and other POSIX-compliant systems. It was the standard toolkit for the Common Desktop Environment and thus for Unix.

Versions:

Module	Default
module load motif/2.3.8-gcccore-11.2.0	✅
module load motif/2.3.8-gcccore-10.3.0	❎

motioncor2

MotionCor2 correct anisotropic image motion at the single pixel level across the whole frame, suitable for both single particle and tomographic images. Iterative, patch-based motion detection is combined with spatial and temporal constraints and dose weighting. Cite publication: Shawn Q. Zheng, Eugene Palovcak, Jean-Paul Armache, Yifan Cheng and David A. Agard (2016) Anisotropic Correction of Beam-induced Motion for Improved Single-particle Electron Cryo-microscopy, Nature Methods, submitted. BioArxiv: https://biorxiv.org/content/early/2016/07/04/061960

Versions:

Module	Default
module load motioncor2/1.5.0-gcccore-11.3.0	✅
module load motioncor2/1.4.5-gcccore-11.3.0	❎

mpb

MPB is a free and open-source software package for computing the band structures, or dispersion relations, and electromagnetic modes of periodic dielectric structures, on both serial and parallel computers. MPB is an acronym for MIT Photonic Bands.

Versions:

Module	Default
module load mpb/1.6.2-intel-2021b-python-3.9.6	❎
module load mpb/1.11.1-intel-2021b-python-3.9.6	✅

mpc

Gnu Mpc is a C library for the arithmetic of complex numbers with arbitrarily high precision and correct rounding of the result. It extends the principles of the IEEE-754 standard for fixed precision real floating point numbers to complex numbers, providing well-defined semantics for every operation. At the same time, speed of operation at high precision is a major design goal.

Versions:

Module	Default
module load mpc/1.2.1-gcccore-11.2.0	✅
module load mpc/1.2.1-gcccore-10.3.0	❎

mpfr

The MPFR library is a C library for multiple-precision floating-point computations with correct rounding.

Versions:

Module	Default
module load mpfr/4.1.0-gcccore-11.3.0	✅
module load mpfr/4.1.0-gcccore-11.2.0	❎
module load mpfr/4.1.0-gcccore-10.3.0	❎
module load mpfr/4.1.0-gcccore-10.2.0	❎

mpifileutils

MPI-Based File Utilities For Distributed Systems

Versions:

Module	Default
module load mpifileutils/0.11.1-gompi-2021b	✅

mrcc

MRCC is a suite of ab initio and density functional quantum chemistry programs for high-accuracy electronic structure calculations.

Versions:

Module	Default
module load mrcc/2022-03-18-intel-2021b	✅
module load mrcc/2018-02-04-intel-compilers-2021.4.0-omp	❎
module load mrcc/2018-02-04-intel-2021b	❎

multiqc

Aggregate results from bioinformatics analyses across many samples into a single report. MultiQC searches a given directory for analysis logs and compiles an HTML report. It's a general use tool, perfect for summarising the output from numerous bioinformatics tools.

Versions:

Module	Default
module load multiqc/1.12-foss-2021b	✅

mumax3

mumax3 is a GPU-accelerated micromagnetic simulation program

Versions:

Module	Default
module load mumax3/3.10-cuda-11.7.0	✅

mumps

A parallel sparse direct solver

Versions:

Module	Default
module load mumps/5.4.1-foss-2021b-metis	✅

muparser

muParser is an extensible high performance math expression parser library written in C++. It works by transforming a mathematical expression into bytecode and precalculating constant parts of the expression.

Versions:

Module	Default
module load muparser/2.3.4-gcccore-11.3.0	✅
module load muparser/2.3.3-gcccore-11.3.0	❎
module load muparser/2.3.3-gcccore-11.2.0	❎

muscle

MUSCLE is one of the best-performing multiple alignment programs according to published benchmark tests, with accuracy and speed that are consistently better than CLUSTALW. MUSCLE can align hundreds of sequences in seconds. Most users learn everything they need to know about MUSCLE in a few minutes-only a handful of command-line options are needed to perform common alignment tasks.

Versions:

Module	Default
module load muscle/5.1-gcccore-11.2.0	✅
module load muscle/3.8.31-gcccore-11.2.0	❎

mvapich2-gdr

This is an MPI 3.0 implementation. It is based on MPICH2 and MVICH.

Versions:

Module	Default
module load mvapich2-gdr/2.3.6-gcc-7.3.0-cuda-11.2	✅

mvapich2

This is an MPI 3.0 implementation. It is based on MPICH2 and MVICH.

Versions:

Module	Default
module load mvapich2/2.3.7-gcc-11.2.0	✅
module load mvapich2/2.3.6-gcccuda-2020a	❎

namd

NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems.

Versions:

Module	Default
module load namd/2.14-iomkl-2020b-mpi	✅
module load namd/2.14-intel-2021a-mpi	❎
module load namd/2.14-fosscuda-2020b	❎

nano

nano: Small and friendly text editor a free replacement for Pico

Versions:

Module	Default
module load nano/6.2	✅
module load nano/5.6.1	❎

nasm

NASM: General-purpose x86 assembler

Versions:

Module	Default
module load nasm/2.15.05-gcccore-11.3.0	❎
module load nasm/2.15.05-gcccore-11.2.0	❎
module load nasm/2.15.05-gcccore-10.3.0	❎
module load nasm/2.15.05-gcccore-10.2.0	❎
module load nasm/2.15.05	✅
module load nasm/2.14.02-gcccore-9.3.0	❎
module load nasm/2.14.02-gcccore-8.3.0	❎

ncbi-vdb

The SRA Toolkit and SDK from NCBI is a collection of tools and libraries for using data in the INSDC Sequence Read Archives.

Versions:

Module	Default
module load ncbi-vdb/2.10.9-gompi-2021a	✅

nccl

The NVIDIA Collective Communications Library (NCCL) implements multi-GPU and multi-node collective communication primitives that are performance optimized for NVIDIA GPUs.

Versions:

Module	Default
module load nccl/2.8.3-gcccore-10.2.0-cuda-11.1.1	❎
module load nccl/2.8.3-cuda-11.1.1	❎
module load nccl/2.12.12-gcccore-11.3.0-cuda-11.7.0	✅
module load nccl/2.10.3-gcccore-11.2.0-cuda-11.6.0	❎
module load nccl/2.10.3-gcccore-11.2.0-cuda-11.4.1	❎
module load nccl/2.10.3-gcccore-10.3.0-cuda-11.3.1	❎

nciplot

NCIPLOT is a program for revealing non covalent interactions based on the reduced density gradient.

Versions:

Module	Default
module load nciplot/4.2-20221021-gcc-11.2.0	✅
module load nciplot/4.0-20200624-gcc-11.2.0	❎
module load nciplot/3.0-gcc-11.2.0	❎

ncl

NCL is an interpreted language designed specifically for scientific data analysis and visualization.

Versions:

Module	Default
module load ncl/6.6.2-foss-2021b	✅

ncurses

The Ncurses (new curses) library is a free software emulation of curses in System V Release 4.0, and more. It uses Terminfo format, supports pads and color and multiple highlights and forms characters and function-key mapping, and has all the other SYSV-curses enhancements over BSD Curses.

Versions:

Module	Default
module load ncurses/6.3-gcccore-12.2.0	❎
module load ncurses/6.3-gcccore-11.3.0	❎
module load ncurses/6.3	✅
module load ncurses/6.2-gcccore-9.3.0	❎
module load ncurses/6.2-gcccore-11.2.0	❎
module load ncurses/6.2-gcccore-10.3.0	❎
module load ncurses/6.2-gcccore-10.2.0	❎
module load ncurses/6.2	❎
module load ncurses/6.1-gcccore-8.3.0	❎
module load ncurses/6.1	❎
module load ncurses/6.0-gcccore-9.3.0	❎
module load ncurses/6.0	❎
module load ncurses/5.9	❎

netcdf-c++4

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.

Versions:

Module	Default
module load netcdf-c++4/4.3.1-gompi-2021b-hdf5-1.10.8	❎
module load netcdf-c++4/4.3.1-gompi-2021b	✅

netcdf-fortran

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.

Versions:

Module	Default
module load netcdf-fortran/4.5.3-iimpi-2021b	✅
module load netcdf-fortran/4.5.3-iimpi-2020b	❎
module load netcdf-fortran/4.5.3-gompic-2020b	❎
module load netcdf-fortran/4.5.3-gompi-2021b-hdf5-1.10.8	❎
module load netcdf-fortran/4.5.3-gompi-2021b	❎
module load netcdf-fortran/4.5.3-gompi-2021a	❎
module load netcdf-fortran/4.5.2-gompi-2019b	❎

netcdf

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.

Versions:

Module	Default
module load netcdf/4.9.0-gompi-2022a	✅
module load netcdf/4.8.1-iimpi-2021b	❎
module load netcdf/4.8.1-gompi-2021b-hdf5-1.10.8	❎
module load netcdf/4.8.1-gompi-2021b	❎
module load netcdf/4.8.0-iimpi-2021a	❎
module load netcdf/4.8.0-gompi-2021a	❎
module load netcdf/4.7.4-iimpi-2020b	❎
module load netcdf/4.7.4-gompic-2020b	❎
module load netcdf/4.7.4-gompi-2020b	❎
module load netcdf/4.7.1-gompi-2019b	❎

nettle

Nettle is a cryptographic library that is designed to fit easily in more or less any context: In crypto toolkits for object-oriented languages (C++, Python, Pike, ...), in applications like LSH or GNUPG, or even in kernel space.

Versions:

Module	Default
module load nettle/3.8-gcccore-11.3.0	✅
module load nettle/3.7.3-gcccore-11.2.0	❎
module load nettle/3.7.2-gcccore-10.3.0	❎
module load nettle/3.6-gcccore-10.2.0	❎
module load nettle/3.5.1-gcccore-8.3.0	❎

networkx

NetworkX is a Python package for the creation, manipulation, and study of the structure, dynamics, and functions of complex networks.

Versions:

Module	Default
module load networkx/2.8.4-foss-2022a	✅
module load networkx/2.6.3-foss-2021b	❎
module load networkx/2.5-intel-2020b	❎
module load networkx/2.5-fosscuda-2020b	❎

newton-x

Newton-X is a general-purpose program package for simulating the dynamics of electronically excited molecules and molecular assemblies.

Versions:

Module	Default
module load newton-x/3.0.1-gcc-11.2.0-07d573bc	✅

nfft

The NFFT (nonequispaced fast Fourier transform or nonuniform fast Fourier transform) is a C subroutine library for computing the nonequispaced discrete Fourier transform (NDFT) and its generalisations in one or more dimensions, of arbitrary input size, and of complex data.

Versions:

Module	Default
module load nfft/3.5.2-foss-2021b	✅

nghttp2

This is an implementation of the Hypertext Transfer Protocol version 2 in C. The framing layer of HTTP/2 is implemented as a reusable C library. On top of that, we have implemented an HTTP/2 client, server and proxy. We have also developed load test and benchmarking tools for HTTP/2. An HPACK encoder and decoder are available as a public API.

Versions:

Module	Default
module load nghttp2/1.48.0-gcc-11.2.0	✅

nghttp3

nghttp3 is an implementation of RFC 9114 HTTP/3 mapping over QUIC and RFC 9204 QPACK in C. It does not depend on any particular QUIC transport implementation.

Versions:

Module	Default
module load nghttp3/0.6.0-gcccore-11.2.0	✅

ngs

NGS is a new, domain-specific API for accessing reads, alignments and pileups produced from Next Generation Sequencing.

Versions:

Module	Default
module load ngs/2.10.9-gcccore-10.3.0	✅

ngsrelate

Program for analysing NGS data.

Versions:

Module	Default
module load ngsrelate/2.0-gcc-11.2.0	✅

ngtcp2

'Call it TCP/2. One More Time.' ngtcp2 project is an effort to implement RFC9000 QUIC protocol.

Versions:

Module	Default
module load ngtcp2/0.7.0-gcc-11.2.0	✅

nibabel

NiBabel provides read/write access to some common medical and neuroimaging file formats, including: ANALYZE (plain, SPM99, SPM2 and later), GIFTI, NIfTI1, NIfTI2, MINC1, MINC2, MGH and ECAT as well as Philips PAR/REC. We can read and write Freesurfer geometry, and read Freesurfer morphometry and annotation files. There is some very limited support for DICOM. NiBabel is the successor of PyNIfTI.

Versions:

Module	Default
module load nibabel/3.2.1-foss-2021a	✅

ninja

Ninja is a small build system with a focus on speed.

Versions:

Module	Default
module load ninja/1.9.0-gcccore-8.3.0	❎
module load ninja/1.10.2-gcccore-11.3.0	❎
module load ninja/1.10.2-gcccore-11.2.0	❎
module load ninja/1.10.2-gcccore-10.3.0	❎
module load ninja/1.10.2	✅
module load ninja/1.10.1-gcccore-10.2.0	❎
module load ninja/1.10.0-gcccore-9.3.0	❎

nlopt

NLopt is a free/open-source library for nonlinear optimization, providing a common interface for a number of different free optimization routines available online as well as original implementations of various other algorithms.

Versions:

Module	Default
module load nlopt/2.7.1-gcccore-11.3.0	✅
module load nlopt/2.7.0-gcccore-11.2.0	❎
module load nlopt/2.7.0-gcccore-10.3.0	❎
module load nlopt/2.6.2-gcccore-10.2.0	❎

nodejs

Node.js is a platform built on Chrome's JavaScript runtime for easily building fast, scalable network applications. Node.js uses an event-driven, non-blocking I/O model that makes it lightweight and efficient, perfect for data-intensive real-time applications that run across distributed devices.

Versions:

Module	Default
module load nodejs/16.15.1-gcccore-11.3.0	✅
module load nodejs/14.17.6-gcccore-11.2.0	❎
module load nodejs/14.17.0-gcccore-10.3.0	❎
module load nodejs/12.19.0-gcccore-10.2.0	❎

nspr

Netscape Portable Runtime (NSPR) provides a platform-neutral API for system level and libc-like functions.

Versions:

Module	Default
module load nspr/4.34-gcccore-11.3.0	✅
module load nspr/4.32-gcccore-11.2.0	❎
module load nspr/4.30-gcccore-10.3.0	❎
module load nspr/4.29-gcccore-10.2.0	❎

nss

Network Security Services (NSS) is a set of libraries designed to support cross-platform development of security-enabled client and server applications.

Versions:

Module	Default
module load nss/3.79-gcccore-11.3.0	✅
module load nss/3.69-gcccore-11.2.0	❎
module load nss/3.65-gcccore-10.3.0	❎
module load nss/3.57-gcccore-10.2.0	❎

nsync

nsync is a C library that exports various synchronization primitives, such as mutexes

Versions:

Module	Default
module load nsync/1.25.0-gcccore-11.3.0	✅
module load nsync/1.24.0-gcccore-11.2.0	❎
module load nsync/1.24.0-gcccore-10.3.0	❎
module load nsync/1.24.0-gcccore-10.2.0	❎

ntpoly

is a massively parallel library for computing the functions of sparse, symmetric matrices based on polynomial expansions. For sufficiently sparse matrices, most of the matrix functions in NTPoly can be computed in linear time.

Versions:

Module	Default
module load ntpoly/2.7.1-intel-2021b	✅
module load ntpoly/2.7.0-intel-2021b	❎
module load ntpoly/2.7.0-intel-2021a	❎

numactl

The numactl program allows you to run your application program on specific cpu's and memory nodes. It does this by supplying a NUMA memory policy to the operating system before running your program. The libnuma library provides convenient ways for you to add NUMA memory policies into your own program.

Versions:

Module	Default
module load numactl/2.0.16-gcccore-12.2.0	✅
module load numactl/2.0.14-gcccore-11.3.0	❎
module load numactl/2.0.14-gcccore-11.2.0	❎
module load numactl/2.0.14-gcccore-10.3.0	❎
module load numactl/2.0.14	❎
module load numactl/2.0.13-gcccore-9.3.0	❎
module load numactl/2.0.13-gcccore-10.2.0	❎
module load numactl/2.0.12-gcccore-8.3.0	❎
module load numactl/2.0.11-gcccore-7.3.0	❎

numba

Numba is an Open Source NumPy-aware optimizing compiler for Python sponsored by Continuum Analytics, Inc. It uses the remarkable LLVM compiler infrastructure to compile Python syntax to machine code.

Versions:

Module	Default
module load numba/0.54.1-intel-2021b	✅
module load numba/0.54.1-foss-2021b	❎

nvhpc

C, C++ and Fortran compilers included with the NVIDIA HPC SDK (previously: PGI)

Versions:

Module	Default
module load nvhpc/22.7-cuda-11.7.0	❎
module load nvhpc/22.7	❎
module load nvhpc/22.3	❎
module load nvhpc/22.11-cuda-11.7.0	✅

nvompic

NVHPC based compiler toolchain, including OpenMPI for MPI support.

Versions:

Module	Default
module load nvompic/2022a	✅
module load nvompic/2021b	❎

obspy

ObsPy is an open-source project dedicated to provide a Python framework for processing seismological data.

Versions:

Module	Default
module load obspy/1.4.0-gcccore-11.2.0-python-3.9.6	✅

occt

Open CASCADE Technology (OCCT) is an object-oriented C++ class library designed for rapid production of sophisticated domain-specific CAD/CAM/CAE applications.

Versions:

Module	Default
module load occt/7.5.0p1-foss-2021b	✅

octave

GNU Octave is a high-level interpreted language, primarily intended for numerical computations.

Versions:

Module	Default
module load octave/8.2.0-foss-2021b	✅
module load octave/7.1.0-foss-2021b	❎

omnisolver

Omnisolver is a collection of Binary Quadratic Model solvers and a framework for implementing them.

Versions:

Module	Default
module load omnisolver/0.0.3-foss-2021b-python-3.9.6	✅

openbabel

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.

Versions:

Module	Default
module load openbabel/3.1.1-gompi-2021b	✅
module load openbabel/3.1.1-gompi-2021a	❎

openblas

OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version.

Versions:

Module	Default
module load openblas/0.3.9-gcc-9.3.0	❎
module load openblas/0.3.7-gcc-8.3.0	❎
module load openblas/0.3.20-gcc-11.3.0	✅
module load openblas/0.3.17-gcc-11.2.0	❎
module load openblas/0.3.15-gcc-10.3.0	❎
module load openblas/0.3.12-gcc-10.2.0	❎

opencfs

openCFS (Coupled Field Simulation) is a finite element-based multi-physics modelling and simulation tool.

Versions:

Module	Default
module load opencfs/2022w-gcccore-11.2.0	✅

opencv-python

Pre-built CPU-only OpenCV packages for Python.

Versions:

Module	Default
module load opencv-python/4.6.0.66-foss-2020b	✅

opencv

OpenCV (Open Source Computer Vision Library) is an open source computer vision and machine learning software library. OpenCV was built to provide a common infrastructure for computer vision applications and to accelerate the use of machine perception in the commercial products. Includes extra modules for OpenCV from the contrib repository.

Versions:

Module	Default
module load opencv/4.5.1-fosscuda-2020b-contrib	✅

openexr

OpenEXR is a high dynamic-range (HDR) image file format developed by Industrial Light & Magic for use in computer imaging applications

Versions:

Module	Default
module load openexr/3.1.5-gcccore-11.3.0	✅
module load openexr/2.5.5-gcccore-10.2.0	❎

openfoam

OpenFOAM is a free, open source CFD software package. OpenFOAM has an extensive range of features to solve anything from complex fluid flows involving chemical reactions, turbulence and heat transfer, to solid dynamics and electromagnetics.

Versions:

Module	Default
module load openfoam/v2206-foss-2021b	❎
module load openfoam/v2112-foss-2021b	❎
module load openfoam/v2106-foss-2021a	❎
module load openfoam/9-foss-2021b	❎
module load openfoam/10-foss-2022a-20230119	✅

openjpeg

OpenJPEG is an open-source JPEG 2000 codec written in C language. It has been developed in order to promote the use of JPEG 2000, a still-image compression standard from the Joint Photographic Experts Group (JPEG). Since may 2015, it is officially recognized by ISO/IEC and ITU-T as a JPEG 2000 Reference Software.

Versions:

Module	Default
module load openjpeg/2.4.0-gcccore-11.2.0	✅

openmpi

The Open MPI Project is an open source MPI-2 implementation.

Versions:

Module	Default
module load openmpi/4.1.4-nvhpc-22.7-cuda-11.7.0	❎
module load openmpi/4.1.4-nvhpc-22.11-cuda-11.7.0	✅
module load openmpi/4.1.4-gcc-11.3.0	❎
module load openmpi/4.1.4-gcc-11.2.0	❎
module load openmpi/4.1.2-nvhpc-22.7	❎
module load openmpi/4.1.2-nvhpc-22.3	❎
module load openmpi/4.1.2-intel-compilers-2021.4.0	❎
module load openmpi/4.1.2-gcc-11.2.0-cuda-11.4.1	❎
module load openmpi/4.1.2-gcc-11.2.0	❎
module load openmpi/4.1.1-intel-compilers-2021.2.0	❎
module load openmpi/4.1.1-gcc-11.2.0	❎
module load openmpi/4.1.1-gcc-10.3.0	❎
module load openmpi/4.0.5-iccifort-2020.4.304	❎
module load openmpi/4.0.5-gcccuda-2020b	❎
module load openmpi/4.0.5-gcc-10.2.0	❎
module load openmpi/4.0.3-gcc-9.3.0	❎
module load openmpi/3.1.4-gcc-8.3.0	❎
module load openmpi/2.1.2-intel-compilers-2021.2.0	❎
module load openmpi/1.10.4-gcc-10.3.0	❎

openmx

OpenMX (Open source package for Material eXplorer) is a software package for nano-scale material simulations based on density functional theories (DFT), norm-conserving pseudopotentials, and pseudo-atomic localized basis functions.

Versions:

Module	Default
module load openmx/3.9.9-iomkl-2021b	✅

openpgm

OpenPGM is an open source implementation of the Pragmatic General Multicast (PGM) specification in RFC 3208 available at . PGM is a reliable and scalable multicast protocol that enables receivers to detect loss, request retransmission of lost data, or notify an application of unrecoverable loss. PGM is a receiver-reliable protocol, which means the receiver is responsible for ensuring all data is received, absolving the sender of reception responsibility.

Versions:

Module	Default
module load openpgm/5.2.122-gcccore-11.3.0	✅
module load openpgm/5.2.122-gcccore-11.2.0	❎
module load openpgm/5.2.122-gcccore-10.3.0	❎
module load openpgm/5.2.122-gcccore-10.2.0	❎

openssl

The OpenSSL Project is a collaborative effort to develop a robust, commercial-grade, full-featured, and Open Source toolchain implementing the Secure Sockets Layer (SSL v2/v3) and Transport Layer Security (TLS v1) protocols as well as a full-strength general purpose cryptography library.

Versions:

Module	Default
module load openssl/1.1.1k-gcccore-11.2.0	✅
module load openssl/1.1	❎

orca

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.

Versions:

Module	Default
module load orca/5.0.4-openmpi-4.1.4	✅
module load orca/5.0.3-openmpi-4.1.2	❎
module load orca/5.0.2-openmpi-4.1.1	❎
module load orca/5.0.1-openmpi-4.1.1	❎
module load orca/5.0.0-openmpi-4.1.1	❎
module load orca/4.2.1-gompi-2019b	❎

osprey-server

IPython provides a rich architecture for interactive computing with: Powerful interactive shells (terminal and Qt-based). A browser-based notebook with support for code, text, mathematical expressions, inline plots and other rich media. Support for interactive data visualization and use of GUI toolkits. Flexible, embeddable interpreters to load into your own projects. Easy to use, high performance tools for parallel computing.

Versions:

Module	Default
module load osprey-server/4.0.2-python-3.9.6	✅

osprey

Open-Source Protein Redesign For You

Versions:

Module	Default
module load osprey/3.3	✅

osu-micro-benchmarks

OSU Micro-Benchmarks

Versions:

Module	Default
module load osu-micro-benchmarks/5.9-gompi-2021b-cuda-11.4.1	✅
module load osu-micro-benchmarks/5.7-gompi-2020b	❎
module load osu-micro-benchmarks/5.7-gcccuda-2020a-mvapich2-2.3.6	❎
module load osu-micro-benchmarks/5.7-gcccuda-2020a	❎

p11-kit

Provides a way to load and enumerate PKCS#11 modules. Provides a standard configuration setup for installing PKCS#11 modules in such a way that they're discoverable. Also solves problems with coordinating the use of PKCS#11 by different components or libraries living in the same process.

Versions:

Module	Default
module load p11-kit/0.24.1-gcccore-11.2.0	✅

p7zip

p7zip is a quick port of 7z.exe and 7za.exe (CLI version of 7zip) for Unix. 7-Zip is a file archiver with highest compression ratio.

Versions:

Module	Default
module load p7zip/17.04-gcccore-11.2.0	✅

pango

Pango is a library for laying out and rendering of text, with an emphasis on internationalization. Pango can be used anywhere that text layout is needed, though most of the work on Pango so far has been done in the context of the GTK+ widget toolkit. Pango forms the core of text and font handling for GTK+-2.x.

Versions:

Module	Default
module load pango/1.50.7-gcccore-11.3.0	✅
module load pango/1.48.8-gcccore-11.2.0	❎
module load pango/1.48.8	❎
module load pango/1.48.5-gcccore-10.3.0	❎
module load pango/1.47.0-gcccore-10.2.0	❎

papi

PAPI provides the tool designer and application engineer with a consistent interface and methodology for use of the performance counter hardware found in most major microprocessors. PAPI enables software engineers to see, in near real time, the relation between software performance and processor events. In addition Component PAPI provides access to a collection of components that expose performance measurement opportunites across the hardware and software stack.

Versions:

Module	Default
module load papi/6.0.0.1-gcccore-11.2.0	✅

parallel

parallel: Build and execute shell commands in parallel

Versions:

Module	Default
module load parallel/20210722-gcccore-11.2.0	✅
module load parallel/20210322-gcccore-10.2.0	❎

paraview

ParaView is a scientific parallel visualizer.

Versions:

Module	Default
module load paraview/5.9.1-foss-2021b-mpi	❎
module load paraview/5.9.1-foss-2021a-mpi	❎
module load paraview/5.8.1-foss-2020b-mpi	❎
module load paraview/5.11.1-foss-2021b-mpi	✅
module load paraview/5.10.1-foss-2022a-mpi	❎

pari-gp

PARI/GP is a widely used computer algebra system designed for fast computations in number theory (factorizations, algebraic number theory, elliptic curves...), but also contains a large number of other useful functions to compute with mathematical entities such as matrices, polynomials, power series, algebraic numbers etc., and a lot of transcendental functions. PARI is also available as a C library to allow for faster computations.

Versions:

Module	Default
module load pari-gp/2.14.0-gcccore-10.3.0-dev-omp	✅
module load pari-gp/2.14.0-foss-2021a-dev-mpi	❎
module load pari-gp/2.13.2-gcccore-10.3.0-omp	❎
module load pari-gp/2.13.2-foss-2021a-mpi	❎

parmetis

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. ParMETIS extends the functionality provided by METIS and includes routines that are especially suited for parallel AMR computations and large scale numerical simulations. The algorithms implemented in ParMETIS are based on the parallel multilevel k-way graph-partitioning, adaptive repartitioning, and parallel multi-constrained partitioning schemes.

Versions:

Module	Default
module load parmetis/4.0.3-iimpi-2021b	✅
module load parmetis/4.0.3-gompi-2019b	❎

pcmsolver

An API for the Polarizable Continuum Model.

Versions:

Module	Default
module load pcmsolver/1.2.3-iimpi-2020b-python-3.8.6	✅
module load pcmsolver/1.2.3-gompi-2021b-python-3.9.6	❎

pcre

The PCRE library is a set of functions that implement regular expression pattern matching using the same syntax and semantics as Perl 5.

Versions:

Module	Default
module load pcre/8.45-gcccore-11.3.0	❎
module load pcre/8.45-gcccore-11.2.0	❎
module load pcre/8.45	✅
module load pcre/8.44-gcccore-10.3.0	❎
module load pcre/8.44-gcccore-10.2.0	❎
module load pcre/8.43-gcccore-8.3.0	❎

pcre2

The PCRE library is a set of functions that implement regular expression pattern matching using the same syntax and semantics as Perl 5.

Versions:

Module	Default
module load pcre2/10.40-gcccore-11.3.0	✅
module load pcre2/10.37-gcccore-11.2.0	❎
module load pcre2/10.36-gcccore-10.3.0	❎
module load pcre2/10.35-gcccore-10.2.0	❎

pdt

Program Database Toolkit (PDT) is a framework for analyzing source code written in several programming languages and for making rich program knowledge accessible to developers of static and dynamic analysis tools. PDT implements a standard program representation, the program database (PDB), that can be accessed in a uniform way through a class library supporting common PDB operations.

Versions:

Module	Default
module load pdt/3.25.1-gcccore-11.2.0	✅

peridigm

Peridigm is an open-source computational peridynamics code developed at Sandia National Laboratories for massively-parallel multi-physics simulations.

Versions:

Module	Default
module load peridigm/1.5.0-foss-2019b	✅

perl

Larry Wall's Practical Extraction and Report Language

Versions:

Module	Default
module load perl/5.36.0-gcccore-12.2.0	✅
module load perl/5.34.1-gcccore-11.3.0-minimal	❎
module load perl/5.34.1-gcccore-11.3.0	❎
module load perl/5.34.0-gcccore-11.2.0-minimal	❎
module load perl/5.34.0-gcccore-11.2.0	❎
module load perl/5.34.0	❎
module load perl/5.32.1-gcccore-10.3.0	❎
module load perl/5.32.0-gcccore-10.2.0	❎
module load perl/5.30.2-gcccore-9.3.0	❎
module load perl/5.30.0-gcccore-8.3.0	❎
module load perl/5.28.0-gcccore-7.3.0	❎

petsc

PETSc, pronounced PET-see (the S is silent), is a suite of data structures and routines for the scalable (parallel) solution of scientific applications modeled by partial differential equations.

Versions:

Module	Default
module load petsc/3.18.2-foss-2021b	✅
module load petsc/3.11.0-foss-2021b-downloaded-deps	❎

pgi

C, C++ and Fortran compilers from The Portland Group - PGI

Versions:

Module	Default
module load pgi/18.10-gcc-10.2.0-2.35	✅

php

A popular general-purpose scripting language that is especially suited to web development.

Versions:

Module	Default
module load php/8.1.10	✅

picard

A set of tools (in Java) for working with next generation sequencing data in the BAM format.

Versions:

Module	Default
module load picard/2.26.0-java-11	✅

pigz

pigz, which stands for parallel implementation of gzip, is a fully functional replacement for gzip that exploits multiple processors and multiple cores to the hilt when compressing data. pigz was written by Mark Adler, and uses the zlib and pthread libraries.

Versions:

Module	Default
module load pigz/2.7-gcccore-11.3.0	✅

pillow-simd

Pillow is the 'friendly PIL fork' by Alex Clark and Contributors. PIL is the Python Imaging Library by Fredrik Lundh and Contributors.

Versions:

Module	Default
module load pillow-simd/8.2.0-gcccore-10.3.0	✅

pillow

Pillow is the 'friendly PIL fork' by Alex Clark and Contributors. PIL is the Python Imaging Library by Fredrik Lundh and Contributors.

Versions:

Module	Default
module load pillow/9.1.1-gcccore-11.3.0	✅
module load pillow/8.3.2-gcccore-11.2.0	❎
module load pillow/8.2.0-gcccore-10.3.0	❎
module load pillow/8.0.1-gcccore-10.2.0	❎

pint

Pint is a Python package to define, operate and manipulate physical quantities: the product of a numerical value and a unit of measurement. It allows arithmetic operations between them and conversions from and to different units.

Versions:

Module	Default
module load pint/0.14-gcccore-11.2.0-python-3.9.6	✅
module load pint/0.14-gcccore-10.2.0-python-3.8.6	❎

pixman

Pixman is a low-level software library for pixel manipulation, providing features such as image compositing and trapezoid rasterization. Important users of pixman are the cairo graphics library and the X server.

Versions:

Module	Default
module load pixman/0.40.0-gcccore-11.3.0	❎
module load pixman/0.40.0-gcccore-11.2.0	❎
module load pixman/0.40.0-gcccore-10.3.0	❎
module load pixman/0.40.0-gcccore-10.2.0	❎
module load pixman/0.40.0	✅

pkg-config

pkg-config is a helper tool used when compiling applications and libraries. It helps you insert the correct compiler options on the command line so an application can use gcc -o test test.c pkg-config --libs --cflags glib-2.0 for instance, rather than hard-coding values on where to find glib (or other libraries).

Versions:

Module	Default
module load pkg-config/0.29.2-gcccore-9.3.0	❎
module load pkg-config/0.29.2-gcccore-8.3.0	❎
module load pkg-config/0.29.2-gcccore-11.2.0	❎
module load pkg-config/0.29.2-gcccore-10.3.0	❎
module load pkg-config/0.29.2-gcccore-10.2.0	❎
module load pkg-config/0.29.2	✅

pkgconf

pkgconf is a program which helps to configure compiler and linker flags for development libraries. It is similar to pkg-config from freedesktop.org.

Versions:

Module	Default
module load pkgconf/1.9.3-gcccore-12.2.0	✅
module load pkgconf/1.8.0-gcccore-11.3.0	❎
module load pkgconf/1.8.0-gcccore-11.2.0	❎
module load pkgconf/1.8.0	❎

pkgconfig

pkgconfig is a Python module to interface with the pkg-config command line tool

Versions:

Module	Default
module load pkgconfig/1.5.5-gcccore-11.3.0-python	✅
module load pkgconfig/1.5.5-gcccore-11.2.0-python	❎
module load pkgconfig/1.5.4-gcccore-10.3.0-python	❎
module load pkgconfig/1.5.1-gcccore-10.2.0-python	❎

plink

plink-1.9-x86_64: Whole-genome association analysis toolset

Versions:

Module	Default
module load plink/2.00a3.1-gcc-11.2.0	✅
module load plink/1.9b_6.21-x86_64	❎

plumed

PLUMED is an open source library for free energy calculations in molecular systems which works together with some of the most popular molecular dynamics engines. Free energy calculations can be performed as a function of many order parameters with a particular focus on biological problems, using state of the art methods such as metadynamics, umbrella sampling and Jarzynski-equation based steered MD. The software, written in C++, can be easily interfaced with both fortran and C/C++ codes.

Versions:

Module	Default
module load plumed/2.9b-foss-2021b	✅
module load plumed/2.8.2-foss-2021b	❎
module load plumed/2.8.1-foss-2021b	❎
module load plumed/2.8.0-foss-2021b-serial	❎
module load plumed/2.8.0-foss-2021b	❎
module load plumed/2.7.2-iomkl-2021a	❎
module load plumed/2.7.2-intel-2021a	❎
module load plumed/2.7.2-intel-2020b	❎
module load plumed/2.7.1-intel-2020b	❎
module load plumed/2.6.0-intel-2020a-python-3.8.2	❎
module load plumed/2.6.0-intel-2020a	❎
module load plumed/2.5.2-iomkl-2021a	❎

pmix

Process Management for Exascale Environments PMI Exascale (PMIx) represents an attempt to provide an extended version of the PMI standard specifically designed to support clusters up to and including exascale sizes. The overall objective of the project is not to branch the existing pseudo-standard definitions - in fact, PMIx fully supports both of the existing PMI-1 and PMI-2 APIs - but rather to (a) augment and extend those APIs to eliminate some current restrictions that impact scalability, and (b) provide a reference implementation of the PMI-server that demonstrates the desired level of scalability.

Versions:

Module	Default
module load pmix/4.1.2-gcccore-11.3.0	✅
module load pmix/4.1.0-gcccore-11.2.0	❎
module load pmix/4.1.0	❎
module load pmix/3.2.3-gcccore-10.3.0	❎
module load pmix/3.1.5-gcccore-10.2.0	❎

pnetcdf

Parallel netCDF: A Parallel I/O Library for NetCDF File Access

Versions:

Module	Default
module load pnetcdf/1.12.3-gompi-2021b	✅
module load pnetcdf/1.12.2-iimpi-2021b	❎
module load pnetcdf/1.12.2-gompic-2020b	❎
module load pnetcdf/1.12.2-gompi-2021b	❎
module load pnetcdf/1.12.1-iimpi-2021a	❎
module load pnetcdf/1.12.1-iimpi-2020b	❎
module load pnetcdf/1.12.1-gompi-2019b	❎

pocl

Pocl is a portable open source (MIT-licensed) implementation of the OpenCL standard

Versions:

Module	Default
module load pocl/1.8-gcc-11.2.0	✅

poppler

Poppler is a PDF rendering library

Versions:

Module	Default
module load poppler/22.01.0-gcc-11.2.0	✅

postgresql

PostgreSQL is a powerful, open source object-relational database system. It is fully ACID compliant, has full support for foreign keys, joins, views, triggers, and stored procedures (in multiple languages). It includes most SQL:2008 data types, including INTEGER, NUMERIC, BOOLEAN, CHAR, VARCHAR, DATE, INTERVAL, and TIMESTAMP. It also supports storage of binary large objects, including pictures, sounds, or video. It has native programming interfaces for C/C++, Java, .Net, Perl, Python, Ruby, Tcl, ODBC, among others, and exceptional documentation.

Versions:

Module	Default
module load postgresql/13.4-gcccore-11.2.0	✅

pov-ray

The Persistence of Vision Raytracer, or POV-Ray, is a ray tracing program which generates images from a text-based scene description, and is available for a variety of computer platforms. POV-Ray is a high-quality, Free Software tool for creating stunning three-dimensional graphics. The source code is available for those wanting to do their own ports.

Versions:

Module	Default
module load pov-ray/3.7.0.8-iccifort-2020.4.304	❎
module load pov-ray/3.7.0.10-gcc-11.3.0	✅
module load pov-ray/3.7.0.10-gcc-11.2.0	❎

precice

preCICE (Precise Code Interaction Coupling Environment) is a coupling library for partitioned multi-physics simulations, including, but not restricted to fluid-structure interaction and conjugate heat transfer simulations. Partitioned means that preCICE couples existing programs (solvers) capable of simulating a subpart of the complete physics involved in a simulation. This allows for the high flexibility that is needed to keep a decent time-to-solution for complex multi-physics scenarios.

Versions:

Module	Default
module load precice/2.5.0-foss-2021b-python-3.9.6	✅

pro-viz

pro-viz env setter

Versions:

Module	Default
module load pro-viz/1.8.4-gua	❎
module load pro-viz/1.8.4	✅
module load pro-viz/1.8.3	❎

prodigal

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.

Versions:

Module	Default
module load prodigal/2.6.3-gcccore-11.2.0	✅
module load prodigal/2.6.3-gcccore-10.2.0	❎

proj

Program proj is a standard Unix filter function which converts geographic longitude and latitude coordinates into cartesian coordinates

Versions:

Module	Default
module load proj/8.1.0-gcccore-11.2.0	✅
module load proj/8.0.1-gcccore-10.3.0	❎
module load proj/7.2.1-gcccore-10.2.0	❎

prokka

Prokka is a software tool for the rapid annotation of prokaryotic genomes.

Versions:

Module	Default
module load prokka/1.14.6-gompi-2021a	❎
module load prokka/1.14.6	✅

protein-bert

ProteinBERT is a protein language model pretrained on ~106M proteins from UniRef90.

Versions:

Module	Default
module load protein-bert/1.0.1-foss-2021b-cuda-11.4.1	✅

protobuf-python

Python Protocol Buffers runtime library.

Versions:

Module	Default
module load protobuf-python/3.19.4-gcccore-11.3.0	✅
module load protobuf-python/3.17.3-gcccore-11.2.0	❎
module load protobuf-python/3.17.3-gcccore-10.3.0	❎
module load protobuf-python/3.14.0-gcccore-10.2.0	❎

protobuf

Google Protocol Buffers

Versions:

Module	Default
module load protobuf/3.19.4-gcccore-11.3.0	✅
module load protobuf/3.17.3-gcccore-11.2.0	❎
module load protobuf/3.17.3-gcccore-10.3.0	❎
module load protobuf/3.14.0-gcccore-10.2.0	❎

psi4

PSI4 is an open-source suite of ab initio quantum chemistry programs designed for efficient, high-accuracy simulations of a variety of molecular properties. We can routinely perform computations with more than 2500 basis functions running serially or in parallel.

Versions:

Module	Default
module load psi4/1.3.2-intel-2020b-python-3.8.6	✅
module load psi4/1.3.2-foss-2021b-python-3.9.6	❎

pugixml

pugixml is a light-weight C++ XML processing library

Versions:

Module	Default
module load pugixml/1.12.1-gcccore-11.2.0	✅

pybind11

pybind11 is a lightweight header-only library that exposes C++ types in Python and vice versa, mainly to create Python bindings of existing C++ code.

Versions:

Module	Default
module load pybind11/2.9.2-gcccore-11.3.0	✅
module load pybind11/2.7.1-gcccore-11.2.0-python-2.7.18	❎
module load pybind11/2.7.1-gcccore-11.2.0	❎
module load pybind11/2.6.2-gcccore-10.3.0	❎
module load pybind11/2.6.0-gcccore-10.2.0	❎
module load pybind11/2.4.3-gcccore-9.3.0-python-3.8.2	❎

pycvodes

pycvodes provides a Python binding to the Ordinary Differential Equation integration routines from cvodes in the SUNDIALS suite

Versions:

Module	Default
module load pycvodes/0.14.1	✅

pydamage

Pydamage, is a Python software to automate the process of contig damage identification and estimation.

Versions:

Module	Default
module load pydamage/0.70-intel-2021b-python-3.9.6	✅

pydantic

Data validation and settings management using Python type hinting.

Versions:

Module	Default
module load pydantic/1.6.1-gcccore-11.2.0-python-3.9.6	✅
module load pydantic/1.6.1-gcccore-10.2.0-python-3.8.6	❎

pydicom

Pure python package for DICOM medical file reading and writing.

Versions:

Module	Default
module load pydicom/2.2.2-gcccore-10.3.0	✅

pymchelper

pymchelper is a toolkit for aiding users of the particle transport codes, such as FLUKA and SHIELD-HIT12A.

Versions:

Module	Default
module load pymchelper/2.5.2-foss-2021b-python-3.9.6	✅
module load pymchelper/2.5.1-foss-2021b-python-3.9.6	❎

pymcubes

Python extension for computing string edit distances and similarities.

Versions:

Module	Default
module load pymcubes/0.1.4-foss-2021b-74fcdbc	✅

pymol

PyMOL is a Python-enhanced molecular graphics tool. It excels at 3D visualization of proteins, small molecules, density, surfaces, and trajectories. It also includes molecular editing, ray tracing, and movies. Open Source PyMOL is free to everyone!

Versions:

Module	Default
module load pymol/2.5.0-foss-2021b	✅

pyqt5

PyQt5 is a set of Python bindings for v5 of the Qt application framework from The Qt Company. This bundle includes PyQtWebEngine, a set of Python bindings for The Qt Company’s Qt WebEngine framework.

Versions:

Module	Default
module load pyqt5/5.15.4-gcccore-11.2.0	✅
module load pyqt5/5.15.4-gcccore-10.3.0	❎

pysam

Pysam is a python module for reading and manipulating Samfiles. It's a lightweight wrapper of the samtools C-API. Pysam also includes an interface for tabix.

Versions:

Module	Default
module load pysam/0.18.0-intel-2021b	✅
module load pysam/0.17.0-gcc-11.2.0	❎

pytest-xdist

xdist: pytest distributed testing plugin The pytest-xdist plugin extends pytest with some unique test execution modes: test run parallelization: if you have multiple CPUs or hosts you can use those for a combined test run. This allows to speed up development or to use special resources of remote machines. --looponfail: run your tests repeatedly in a subprocess. After each run pytest waits until a file in your project changes and then re-runs the previously failing tests. This is repeated until all tests pass after which again a full run is performed. * Multi-Platform coverage: you can specify different Python interpreters or different platforms and run tests in parallel on all of them. Before running tests remotely, pytest efficiently “rsyncs” your program source code to the remote place. All test results are reported back and displayed to your local terminal. You may specify different Python versions and interpreters.

Versions:

Module	Default
module load pytest-xdist/2.5.0-gcccore-11.2.0	✅
module load pytest-xdist/2.3.0-gcccore-10.3.0	❎

python-isal

Faster zlib and gzip compatible compression and decompression by providing python bindings for the isa-l library.

Versions:

Module	Default
module load python-isal/0.11.1-gcccore-11.2.0	✅

python-levenshtein

Python extension for computing string edit distances and similarities.

Versions:

Module	Default
module load python-levenshtein/0.12.1-foss-2021b	✅

python-topaz

Topaz - a pipeline for particle detection in cryo-electron microscopy images using convolutional neural networks trained from positive and unlabeled examples.

Versions:

Module	Default
module load python-topaz/0.2.4	✅

python

Python is a programming language that lets you work more quickly and integrate your systems more effectively.

Versions:

Module	Default
module load python/3.9.6-gcccore-11.2.0-bare	❎
module load python/3.9.6-gcccore-11.2.0	❎
module load python/3.9.6-bare	❎
module load python/3.9.6	❎
module load python/3.9.5-gcccore-10.3.0-bare	❎
module load python/3.9.5-gcccore-10.3.0	❎
module load python/3.8.6-gcccore-10.2.0	❎
module load python/3.8.2-gcccore-9.3.0	❎
module load python/3.7.4-gcccore-8.3.0	❎
module load python/3.10.8-gcccore-12.2.0-bare	❎
module load python/3.10.8-gcccore-12.2.0	✅
module load python/3.10.4-gcccore-11.3.0-bare	❎
module load python/3.10.4-gcccore-11.3.0	❎
module load python/2.7.18-gcccore-9.3.0	❎
module load python/2.7.18-gcccore-11.3.0-bare	❎
module load python/2.7.18-gcccore-11.2.0-bare	❎
module load python/2.7.18-gcccore-11.2.0	❎
module load python/2.7.18-gcccore-10.3.0-bare	❎
module load python/2.7.18-gcccore-10.3.0	❎
module load python/2.7.18-gcccore-10.2.0	❎
module load python/2.7.16-gcccore-8.3.0	❎

pytorch

Tensors and Dynamic neural networks in Python with strong GPU acceleration. PyTorch is a deep learning framework that puts Python first.

Versions:

Module	Default
module load pytorch/1.9.0-fosscuda-2020b-imkl	❎
module load pytorch/1.12.1-foss-2021a-cuda-11.3.1	✅
module load pytorch/1.10.0-foss-2021a-cuda-11.3.1	❎

pyyaml

PyYAML is a YAML parser and emitter for the Python programming language.

Versions:

Module	Default
module load pyyaml/5.4.1-gcccore-11.2.0	✅
module load pyyaml/5.4.1-gcccore-10.3.0	❎
module load pyyaml/5.3.1-gcccore-10.2.0	❎

q5

Version control for Q. Version 5.06. EVB, FEP and LIE simulator.

Versions:

Module	Default
module load q5/20170225-gompi-2021b	✅

q6

EVB, FEP and LIE simulator.

Versions:

Module	Default
module load q6/20230414-gompi-2021b	✅

qca

Taking a hint from the similarly-named Java Cryptography Architecture, QCA aims to provide a straightforward and cross-platform crypto API, using Qt datatypes and conventions. QCA separates the API from the implementation, using plugins known as Providers. The advantage of this model is to allow applications to avoid linking to or explicitly depending on any particular cryptographic library. This allows one to easily change or upgrade crypto implementations without even needing to recompile the application! QCA should work everywhere Qt does, including Windows/Unix/MacOSX.

Versions:

Module	Default
module load qca/2.3.5-gcccore-11.2.0	✅

qchem

Q-Chem 6.0

Versions:

Module	Default
module load qchem/6.0.1-smp	✅

qgis

QGIS is a user friendly Open Source Geographic Information System (GIS)

Versions:

Module	Default
module load qgis/3.28.1-foss-2021b	✅

qhull

Qhull computes the convex hull, Delaunay triangulation, Voronoi diagram, halfspace intersection about a point, furthest-site Delaunay triangulation, and furthest-site Voronoi diagram. The source code runs in 2-d, 3-d, 4-d, and higher dimensions. Qhull implements the Quickhull algorithm for computing the convex hull.

Versions:

Module	Default
module load qhull/2020.2-gcccore-11.3.0	✅
module load qhull/2020.2-gcccore-11.2.0	❎
module load qhull/2020.2-gcccore-10.3.0	❎

qrupdate

qrupdate is a Fortran library for fast updates of QR and Cholesky decompositions.

Versions:

Module	Default
module load qrupdate/1.1.2-gcccore-11.2.0	✅

qscintilla

QScintilla is a port to Qt of Neil Hodgson's Scintilla C++ editor control

Versions:

Module	Default
module load qscintilla/2.11.6-gcccore-11.2.0	✅

qsource

Version control for Q. Version 5.06. EVB, FEP and LIE simulator.

Versions:

Module	Default
module load qsource/20170225-gompi-2021b	✅

qt5

Qt is a comprehensive cross-platform C++ application framework.

Versions:

Module	Default
module load qt5/5.15.5-gcccore-11.3.0	✅
module load qt5/5.15.2-gcccore-11.2.0	❎
module load qt5/5.15.2-gcccore-10.3.0	❎
module load qt5/5.14.2-gcccore-10.2.0	❎

qt5webkit

Qt Port of WebKit. WebKit is an open source web browser engine.

Versions:

Module	Default
module load qt5webkit/5.212.0-alpha4-gcccore-11.2.0	✅

qtkeychain

Platform-independent Qt API for storing passwords securely.

Versions:

Module	Default
module load qtkeychain/0.13.2-gcccore-11.2.0	✅

quantumespresso

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).

Versions:

Module	Default
module load quantumespresso/7.2-intel-2021b	✅
module load quantumespresso/7.1-intel-2021b	❎
module load quantumespresso/7.0-intel-2021a	❎
module load quantumespresso/7.0-foss-2021a	❎
module load quantumespresso/6.7-intel-2021a	❎
module load quantumespresso/6.7-foss-2020b	❎

qutip

QuTiP is open-source software for simulating the dynamics of open quantum systems.

Versions:

Module	Default
module load qutip/4.7.1-foss-2021b	✅

qwt

The Qwt library contains GUI Components and utility classes which are primarily useful for programs with a technical background.

Versions:

Module	Default
module load qwt/6.2.0-gcccore-11.2.0	✅
module load qwt/6.2.0-gcccore-10.3.0	❎

r

R is a free software environment for statistical computing and graphics.

Versions:

Module	Default
module load r/4.2.0-foss-2021b	✅
module load r/4.1.2-foss-2021b	❎

rapidjson

A fast JSON parser/generator for C++ with both SAX/DOM style API

Versions:

Module	Default
module load rapidjson/1.1.0-gcccore-11.2.0	✅
module load rapidjson/1.1.0-gcccore-10.3.0	❎

raspa2

RASPA is a software package for simulating adsorption and diffusion of molecules in flexible nanoporous materials.

Versions:

Module	Default
module load raspa2/2.0.47-foss-2021b	✅

rclone

Rclone is a command line program to sync files and directories to and from a variety of online storage services

Versions:

Module	Default
module load rclone/1.60.1	✅
module load rclone/1.57.0	❎

rcorrector

Rcorrector(RNA-seq error CORRECTOR) is a kmer-based error correction method for RNA-seq data.

Versions:

Module	Default
module load rcorrector/1.0.4-foss-2021b	✅

rdkit

RDKit is a collection of cheminformatics and machine-learning software written in C++ and Python.

Versions:

Module	Default
module load rdkit/2021.03.4-foss-2021a	✅

re2

RE2 is a fast, safe, thread-friendly alternative to backtracking regular expression engines like those used in PCRE, Perl, and Python. It is a C++ library.

Versions:

Module	Default
module load re2/2022-02-01-gcccore-10.3.0	✅

re2c

re2c is a free and open-source lexer generator for C and C++. Its main goal is generating fast lexers: at least as fast as their reasonably optimized hand-coded counterparts. Instead of using traditional table-driven approach, re2c encodes the generated finite state automata directly in the form of conditional jumps and comparisons.

Versions:

Module	Default
module load re2c/2.2-gcccore-11.3.0	✅
module load re2c/2.2-gcccore-11.2.0	❎
module load re2c/2.1.1-gcccore-10.3.0	❎
module load re2c/2.0.3-gcccore-10.2.0	❎

relion

RELION (for REgularised LIkelihood OptimisatioN, pronounce rely-on) is a stand-alone computer program that employs an empirical Bayesian approach to refinement of (multiple) 3D reconstructions or 2D class averages in electron cryo-microscopy (cryo-EM).

Versions:

Module	Default
module load relion/4.0.0-foss-2021b-cuda-11.6.0	✅
module load relion/3.1.3-foss-2021b-cuda-11.4.1	❎
module load relion/3.1.2-intelcuda-2020a	❎

rnaeditingindexer

Versions:

Module	Default
module load rnaeditingindexer/4d79d77-git	✅

rocky

Ansys Rocky version: 2022 R1

Versions:

Module	Default
module load rocky/2021R2	✅

root

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.

Versions:

Module	Default
module load root/6.24.06-foss-2021b	✅

rosetta

Rosetta™ is a molecular modeling software package for understanding protein structures, protein design, protein docking, protein-DNA and protein-protein interactions.

Versions:

Module	Default
module load rosetta/3.13-intel-2021a-mpi	✅
module load rosetta/3.12	❎

rsem

RNA-Seq by Expectation-Maximization

Versions:

Module	Default
module load rsem/1.3.3-foss-2021a	✅

rstudio-server

This is the RStudio Server version. RStudio is a set of integrated tools designed to help you be more productive with R. The server can be started with: rserver --server-daemonize=0 --www-port 8787 --rsession-which-r=$(which R)

Versions:

Module	Default
module load rstudio-server/2022.12.0+353-foss-2021b-java-11-r-4.2.0	✅

ruby

Ruby is a dynamic, open source programming language with a focus on simplicity and productivity. It has an elegant syntax that is natural to read and easy to write.

Versions:

Module	Default
module load ruby/3.0.1-gcccore-11.2.0	✅

rust

Rust is a systems programming language that runs blazingly fast, prevents segfaults, and guarantees thread safety.

Versions:

Module	Default
module load rust/1.65.0-gcccore-12.2.0	✅
module load rust/1.63.0-gcccore-10.3.0	❎
module load rust/1.60.0-gcccore-11.3.0	❎
module load rust/1.54.0-gcccore-11.2.0	❎
module load rust/1.54.0	❎
module load rust/1.52.1-gcccore-10.3.0	❎

saga

System for Automated Geoscientific Analyses

Versions:

Module	Default
module load saga/8.5.1-gcc-11.2.0	✅

sagemath

Free open-source mathematics software system licensed under the GPL

Versions:

Module	Default
module load sagemath/9.5-foss-2021b	✅

salmon

Salmon is a wicked-fast program to produce a highly-accurate, transcript-level quantification estimates from RNA-seq data.

Versions:

Module	Default
module load salmon/1.5.2-gompi-2021b	✅
module load salmon/1.5.2-gompi-2021a	❎
module load salmon/0.8.2	❎

samtools

SAM Tools provide various utilities for manipulating alignments in the SAM format, including sorting, merging, indexing and generating alignments in a per-position format.

Versions:

Module	Default
module load samtools/1.8-gcc-11.2.0	❎
module load samtools/1.14-gcc-11.2.0	✅
module load samtools/1.13-intel-compilers-2021.4.0	❎
module load samtools/1.13-gcc-11.2.0	❎
module load samtools/1.13-gcc-10.3.0	❎
module load samtools/1.11-gcc-10.2.0	❎

scalapack

The ScaLAPACK (or Scalable LAPACK) library includes a subset of LAPACK routines redesigned for distributed memory MIMD parallel computers.

Versions:

Module	Default
module load scalapack/2.2.0-gompi-2022a-fb	✅
module load scalapack/2.1.0-gompic-2020b	❎
module load scalapack/2.1.0-gompi-2021b-fb	❎
module load scalapack/2.1.0-gompi-2021a-fb	❎
module load scalapack/2.1.0-gompi-2021.07-fb	❎
module load scalapack/2.1.0-gompi-2020b-bf	❎
module load scalapack/2.1.0-gompi-2020b	❎
module load scalapack/2.0.2-gompi-2019b	❎

schrodinger

Versions:

Module	Default
module load schrodinger/2016.4	✅

scikit-build

Scikit-Build, or skbuild, is an improved build system generator for CPython C/C++/Fortran/Cython extensions.

Versions:

Module	Default
module load scikit-build/0.11.1-gcccore-11.2.0	✅
module load scikit-build/0.11.1-fosscuda-2020b	❎

scipy-bundle

Bundle of Python packages for scientific software

Versions:

Module	Default
module load scipy-bundle/2022.05-foss-2022a	✅
module load scipy-bundle/2021.10-intel-2021b	❎
module load scipy-bundle/2021.10-foss-2021b-python-2.7.18	❎
module load scipy-bundle/2021.10-foss-2021b	❎
module load scipy-bundle/2021.05-intel-2021a	❎
module load scipy-bundle/2021.05-foss-2021a	❎
module load scipy-bundle/2020.11-intel-2020b	❎
module load scipy-bundle/2020.11-fosscuda-2020b	❎
module load scipy-bundle/2020.11-foss-2020b	❎
module load scipy-bundle/2020.03-intel-2020b-python-2.7.18	❎
module load scipy-bundle/2020.03-intel-2020a-python-3.8.2	❎
module load scipy-bundle/2019.10-foss-2019b-python-3.7.4	❎

scons

SCons is a software construction tool.

Versions:

Module	Default
module load scons/4.2.0-gcccore-11.2.0	✅
module load scons/4.1.0.post1-gcccore-10.3.0	❎
module load scons/4.1.0.post1-foss-2021a	❎

scotch

Software package and libraries for sequential and parallel graph partitioning, static mapping, and sparse matrix block ordering, and sequential mesh and hypergraph partitioning.

Versions:

Module	Default
module load scotch/7.0.1-gompi-2022a	✅
module load scotch/7.0.1-gompi-2021b	❎
module load scotch/6.1.2-iimpi-2021b	❎
module load scotch/6.1.2-gompi-2021b	❎
module load scotch/6.1.0-iimpi-2021a	❎
module load scotch/6.1.0-gompi-2021a	❎
module load scotch/6.0.9-gompi-2019b	❎

sdl2

SDL: Simple DirectMedia Layer, a cross-platform multimedia library

Versions:

Module	Default
module load sdl2/2.0.22-gcccore-11.3.0	✅
module load sdl2/2.0.20-gcccore-11.2.0	❎
module load sdl2/2.0.20	❎
module load sdl2/2.0.14-gcccore-10.3.0	❎
module load sdl2/2.0.14-gcccore-10.2.0	❎

sentencepiece

Unsupervised text tokenizer for Neural Network-based text generation.

Versions:

Module	Default
module load sentencepiece/0.1.96-gcc-10.3.0	✅

sepp

SATe-enabled Phylogenetic Placement - addresses the problem of phylogenetic placement of short reads into reference alignments and trees.

Versions:

Module	Default
module load sepp/4.5.1-foss-2021b	✅
module load sepp/4.4.0-foss-2020b	❎

seqtk

Seqtk is a fast and lightweight tool for processing sequences in the FASTA or FASTQ format. It seamlessly parses both FASTA and FASTQ files which can also be optionally compressed by gzip.

Versions:

Module	Default
module load seqtk/1.3-gcc-11.2.0	✅

shengbte

A solver for the Boltzmann transport equation for phonons.

Versions:

Module	Default
module load shengbte/1.2.0-foss-2021b	✅

shieldhit

SHIELD-HIT12A is a Monte Carlo particle transport program which is modified for proton and heavy ion particle therapy research

Versions:

Module	Default
module load shieldhit/current	✅

siesta

SIESTA is both a method and its computer program implementation, to perform efficient electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids.

Versions:

Module	Default
module load siesta/4.1.5-intel-2021b-oneapi	❎
module load siesta/4.1.5-intel-2021b	✅
module load siesta/4.1.5-foss-2021b	❎
module load siesta/4.1.5-foss-2021a	❎

simbody

Simbody is useful for internal coordinate and coarse grained molecule modeling, large scale mechanical models like skeletons, and anything else that can be modeled as bodies interconnected by joints, acted upon by forces, and restricted by constraints.

Versions:

Module	Default
module load simbody/3.7-foss-2021b	✅

simpson

SIMPSON is a general-purpose software package for simulation virtually all kinds of solid-state NMR experiments. Just set up the spin system, pulse sequence, and run the simulation.

Versions:

Module	Default
module load simpson/4.2.2-intel-2021b-ea65a09	❎
module load simpson/4.2.2-intel-2021b	✅

snappy

Snappy is a compression/decompression library. It does not aim for maximum compression, or compatibility with any other compression library; instead, it aims for very high speeds and reasonable compression.

Versions:

Module	Default
module load snappy/1.1.9-gcccore-11.3.0	✅
module load snappy/1.1.9-gcccore-11.2.0	❎
module load snappy/1.1.8-gcccore-10.3.0	❎
module load snappy/1.1.8-gcccore-10.2.0	❎

soci

SOCI is a database access library for C++ that makes the illusion of embedding SQL queries in the regular C++ code, staying entirely within the Standard C++.

Versions:

Module	Default
module load soci/4.0.3-gcc-11.2.0	✅

sox

Sound eXchange, the Swiss Army knife of audio manipulation

Versions:

Module	Default
module load sox/14.4.2-gcccore-11.3.0	✅

spades

Genome assembler for single-cell and isolates data sets

Versions:

Module	Default
module load spades/3.15.3-gcc-11.2.0	✅

spark

Spark is Hadoop MapReduce done in memory

Versions:

Module	Default
module load spark/3.3.2-hadoop-3.2-java-11	✅

sparsehash

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.

Versions:

Module	Default
module load sparsehash/2.0.4-gcccore-11.2.0	✅

spdlog

Very fast, header-only/compiled, C++ logging library.

Versions:

Module	Default
module load spdlog/1.10.0-gcccore-11.2.0	✅

spglib-python

Spglib for Python. Spglib is a library for finding and handling crystal symmetries written in C.

Versions:

Module	Default
module load spglib-python/1.16.3-intel-2021b	✅
module load spglib-python/1.16.1-intel-2021b	❎
module load spglib-python/1.16.1-foss-2021a	❎

spglib

Spglib is a C library for finding and handling crystal symmetries.

Versions:

Module	Default
module load spglib/1.16.2-gcccore-11.2.0	✅
module load spglib/1.16.1-gcccore-10.3.0	❎

spooles

SPOOLES is a library for solving sparse real and complex linear systems of equations, written in the C language using object oriented design.

Versions:

Module	Default
module load spooles/2.2-gompi-2021b	✅

sqlalchemy

SQLAlchemy is the Python SQL toolkit and Object Relational Mapper that gives application developers the full power and flexibility of SQL.

Versions:

Module	Default
module load sqlalchemy/1.4.46-gcccore-11.2.0-python-3.9.6	✅

sqlite

SQLite: SQL Database Engine in a C Library

Versions:

Module	Default
module load sqlite/3.39.4-gcccore-12.2.0	✅
module load sqlite/3.38.3-gcccore-11.3.0	❎
module load sqlite/3.36-gcccore-11.2.0	❎
module load sqlite/3.36	❎
module load sqlite/3.35.4-gcccore-10.3.0	❎
module load sqlite/3.33.0-gcccore-10.2.0	❎
module load sqlite/3.31.1-gcccore-9.3.0	❎
module load sqlite/3.29.0-gcccore-8.3.0	❎

sra-toolkit

The SRA Toolkit, and the source-code SRA System Development Kit (SDK), will allow you to programmatically access data housed within SRA and convert it from the SRA format

Versions:

Module	Default
module load sra-toolkit/3.0.0-centos_linux64	✅

star

STAR aligns RNA-seq reads to a reference genome using uncompressed suffix arrays.

Versions:

Module	Default
module load star/2.7.8a-gcc-10.3.0	✅

statsmodels

Statsmodels is a Python module that allows users to explore data, estimate statistical models, and perform statistical tests.

Versions:

Module	Default
module load statsmodels/0.13.1-intel-2021b	✅

suitesparse

SuiteSparse is a collection of libraries manipulate sparse matrices.

Versions:

Module	Default
module load suitesparse/5.8.1-foss-2020b-metis-5.1.0	❎
module load suitesparse/5.6.0-foss-2019b-metis-5.1.0	❎
module load suitesparse/5.10.1-intel-2021b-metis-5.1.0	✅
module load suitesparse/5.10.1-foss-2021b-metis-5.1.0	❎

sundials

SUNDIALS: SUite of Nonlinear and DIfferential/ALgebraic Equation Solvers

Versions:

Module	Default
module load sundials/6.4.0-intel-2021b	✅
module load sundials/6.3.0-intel-2021b	❎
module load sundials/5.7.0-intel-2021b	❎

superlu_dist

SuperLU is a general purpose library for the direct solution of large, sparse, nonsymmetric systems of linear equations on high performance machines.

Versions:

Module	Default
module load superlu_dist/8.1.0-intel-2021b	✅

svt-av1

Scalable Video Technology for AV1 (SVT-AV1 Encoder and Decoder)

Versions:

Module	Default
module load svt-av1/1.6.0-gcccore-11.3.0	✅
module load svt-av1/1.4.1-gcccore-11.3.0	❎

swig

SWIG is a software development tool that connects programs written in C and C++ with a variety of high-level programming languages.

Versions:

Module	Default
module load swig/4.0.2-gcccore-11.2.0	✅
module load swig/4.0.2-gcccore-10.3.0	❎
module load swig/4.0.1-gcccore-8.3.0	❎
module load swig/3.0.12-gcccore-8.3.0	❎
module load swig/3.0.12-gcccore-11.2.0	❎
module load swig/3.0.12-foss-2021b-python-3.9.6	❎

sympy

SymPy is a Python library for symbolic mathematics. It aims to become a full-featured computer algebra system (CAS) while keeping the code as simple as possible in order to be comprehensible and easily extensible. SymPy is written entirely in Python and does not require any external libraries.

Versions:

Module	Default
module load sympy/1.9-intel-2021b	✅

szip

Szip compression software, providing lossless compression of scientific data

Versions:

Module	Default
module load szip/2.1.1-gcccore-9.3.0	❎
module load szip/2.1.1-gcccore-8.3.0	❎
module load szip/2.1.1-gcccore-12.2.0	✅
module load szip/2.1.1-gcccore-11.3.0	❎
module load szip/2.1.1-gcccore-11.2.0	❎
module load szip/2.1.1-gcccore-10.3.0	❎
module load szip/2.1.1-gcccore-10.2.0	❎

tar

GNU Tar provides the ability to create tar archives, as well as various other kinds of manipulation.

Versions:

Module	Default
module load tar/1.27.1-lustre	✅
module load tar/1.27.1-gcccore-11.2.0	❎

tau

TAU (Tuning and Analysis Utilities) is capable of gathering performance information through instrumentation of functions, methods, basic blocks, and statements as well as event-based sampling. All C++ language features are supported including templates and namespaces. The API also provides selection of profiling groups for organizing and controlling instrumentation. The instrumentation can be inserted in the source code using an automatic instrumentor tool based on the Program Database Toolkit (PDT), dynamically using DyninstAPI, at runtime in the Java Virtual Machine, or manually using the instrumentation API.

Versions:

Module	Default
module load tau/2.32-intel-2021b	✅
module load tau/2.32-foss-2021b	❎

tbb

Intel(R) Threading Building Blocks (Intel(R) TBB) lets you easily write parallel C++ programs that take full advantage of multicore performance, that are portable, composable and have future-proof scalability.

Versions:

Module	Default
module load tbb/2021.4.0-gcccore-11.2.0	✅
module load tbb/2020.3-gcccore-11.2.0	❎
module load tbb/2020.3-gcccore-10.3.0	❎
module load tbb/2020.3-gcccore-10.2.0	❎

tcl

Tcl (Tool Command Language) is a very powerful but easy to learn dynamic programming language, suitable for a very wide range of uses, including web and desktop applications, networking, administration, testing and many more.

Versions:

Module	Default
module load tcl/8.6.9-gcccore-8.3.0	❎
module load tcl/8.6.12-gcccore-12.2.0	✅
module load tcl/8.6.12-gcccore-11.3.0	❎
module load tcl/8.6.11-gcccore-11.2.0	❎
module load tcl/8.6.11-gcccore-10.3.0	❎
module load tcl/8.6.11	❎
module load tcl/8.6.10-gcccore-9.3.0	❎
module load tcl/8.6.10-gcccore-10.2.0	❎

tcsh

Tcsh is an enhanced, but completely compatible version of the Berkeley UNIX C shell (csh). It is a command language interpreter usable both as an interactive login shell and a shell script command processor. It includes a command-line editor, programmable word completion, spelling correction, a history mechanism, job control and a C-like syntax.

Versions:

Module	Default
module load tcsh/6.24.01-gcccore-11.2.0	❎
module load tcsh/6.24.01	✅
module load tcsh/6.22.04-gcccore-10.3.0	❎
module load tcsh/6.22.03-gcccore-10.3.0	❎
module load tcsh/6.22.02-gcccore-8.3.0	❎

tensorflow

An open-source software library for Machine Intelligence

Versions:

Module	Default
module load tensorflow/2.8.0-fosscuda-2020b	✅
module load tensorflow/2.7.1-foss-2021b-cuda-11.4.1	❎
module load tensorflow/2.7.0-fosscuda-2020b	❎
module load tensorflow/2.5.3-foss-2021a-cuda-11.3.1	❎
module load tensorflow/2.5.0-fosscuda-2020b	❎
module load tensorflow/2.4.1-fosscuda-2020b	❎

terachem

TeraChem is general purpose quantum chemistry software designed to run on NVIDIA GPU architectures under a 64-bit Linux operating system.

Versions:

Module	Default
module load terachem/1.95	✅

texinfo

Texinfo is the official documentation format of the GNU project.

Versions:

Module	Default
module load texinfo/6.7-gcccore-11.2.0	✅

texlive

TeX is a typesetting language. Instead of visually formatting your text, you enter your manuscript text intertwined with TeX commands in a plain text file. You then run TeX to produce formatted output, such as a PDF file. Thus, in contrast to standard word processors, your document is a separate file that does not pretend to be a representation of the final typeset output, and so can be easily edited and manipulated.

Versions:

Module	Default
module load texlive/20230313-gcc-11.2.0	✅

theodore

The TheoDORE (Theoretical Density, Orbital Relaxation and Exciton analysis) package is a program suite for the analysis of excited states obtained from quantum chemical excited state calculations.

Versions:

Module	Default
module load theodore/3.0-foss-2021b	✅

time

The `time' command runs another program, then displays information about the resources used by that program, collected by the system while the program was running.

Versions:

Module	Default
module load time/1.9-gcccore-8.3.0	❎
module load time/1.9-gcccore-10.3.0	✅

timm

PyTorch Image Models (timm) is a collection of image models, layers, utilities, optimizers, schedulers, data-loaders / augmentations, and reference training / validation scripts that aim to pull together a wide variety of SOTA models with ability to reproduce ImageNet training results.

Versions:

Module	Default
module load timm/0.6.7-foss-2021a-cuda-11.3.1-pytorch-1.10.0-tensorflow-2.5.3	✅

tinker-hp

Tinker-HP: High Performance Massively Parallel Evolution of Tinker

Versions:

Module	Default
module load tinker-hp/1.2-nvhpc-22.3	✅
module load tinker-hp/1.2-iomkl-2021b-debug	❎
module load tinker-hp/1.2-iomkl-2021b-3af68bd	❎
module load tinker-hp/1.2-iomkl-2021b-18f554a	❎
module load tinker-hp/1.2-iomkl-2021b	❎

tinker9

Tinker9 is a complete rewrite and extension of the canonical Tinker software, currently Tinker8.

Versions:

Module	Default
module load tinker9/1.3.1-nvhpc-22.7-65d3279	✅

tk

Tk is an open source, cross-platform widget toolchain that provides a library of basic elements for building a graphical user interface (GUI) in many different programming languages.

Versions:

Module	Default
module load tk/8.6.12-gcccore-11.3.0	✅
module load tk/8.6.11-gcccore-11.2.0	❎
module load tk/8.6.11-gcccore-10.3.0	❎
module load tk/8.6.10-gcccore-10.2.0	❎

tkinter

Tkinter module, built with the Python buildsystem

Versions:

Module	Default
module load tkinter/3.9.6-gcccore-11.2.0	❎
module load tkinter/3.9.5-gcccore-10.3.0	❎
module load tkinter/3.8.6-gcccore-10.2.0	❎
module load tkinter/3.10.4-gcccore-11.3.0	✅
module load tkinter/2.7.18-gcccore-11.2.0	❎

torchtext

Data loaders and abstractions for text and NLP

Versions:

Module	Default
module load torchtext/0.13.0-foss-2021a-pytorch-1.12.1-cuda-11.3.1	✅

torchvision

Datasets, Transforms and Models specific to Computer Vision

Versions:

Module	Default
module load torchvision/0.11.1-foss-2021a-cuda-11.3.1	✅

tqdm

A fast, extensible progress bar for Python and CLI

Versions:

Module	Default
module load tqdm/4.61.2-gcccore-10.3.0	✅
module load tqdm/4.60.0-gcccore-10.2.0	❎
module load tqdm/4.47.0-gcccore-9.3.0	❎

transformers

State-of-the-art Natural Language Processing for PyTorch and TensorFlow 2.0

Versions:

Module	Default
module load transformers/4.2.1-intel-2020a-python-3.8.2	✅
module load transformers/4.2.1-fosscuda-2020b-python-3.8.6	❎

transrate

Command-line tools used by transrate for processing bam files.

Versions:

Module	Default
module load transrate/1.0.3	✅

trilinos

The Trilinos Project is an effort to develop algorithms and enabling technologies within an object-oriented software framework for the solution of large-scale, complex multi-physics engineering and scientific problems. A unique design feature of Trilinos is its focus on packages.

Versions:

Module	Default
module load trilinos/13.4.0-foss-2019b-python-3.7.4	✅
module load trilinos/12.12.1-foss-2019b-python-3.7.4	❎

trinity

Trinity represents a novel method for the efficient and robust de novo reconstruction of transcriptomes from RNA-Seq data. Trinity combines three independent software modules: Inchworm, Chrysalis, and Butterfly, applied sequentially to process large volumes of RNA-Seq reads.

Versions:

Module	Default
module load trinity/2.14.0-foss-2021b-python-3.9.6	✅
module load trinity/2.13.1-foss-2021a-python-3.9.5	❎

turbomole

TURBOMOLE v 7.5.1 quantum chemistry chemistry package, MPI version

Versions:

Module	Default
module load turbomole/7.7.1-smp	✅
module load turbomole/7.7.1-mpi	❎
module load turbomole/7.5.1-smp	❎
module load turbomole/7.5.1-mpi	❎

turbovnc

TurboVNC is a derivative of VNC (Virtual Network Computing) that is tuned to provide peak performance for 3D and video workloads.

Versions:

Module	Default
module load turbovnc/2.2.6-gcccore-11.2.0	❎
module load turbovnc/2.2.6-gcccore-10.3.0	❎
module load turbovnc/2.2.6	✅

typing-extensions

Typing Extensions – Backported and Experimental Type Hints for Python

Versions:

Module	Default
module load typing-extensions/3.7.4.3-gcccore-10.2.0	❎
module load typing-extensions/3.10.0.2-gcccore-11.2.0	✅
module load typing-extensions/3.10.0.0-gcccore-10.3.0	❎

ucc-cuda

UCC (Unified Collective Communication) is a collective communication operations API and library that is flexible, complete, and feature-rich for current and emerging programming models and runtimes. This module adds the UCC CUDA support.

Versions:

Module	Default
module load ucc-cuda/1.0.0-gcccore-11.3.0-cuda-11.7.0	✅

ucc

UCC (Unified Collective Communication) is a collective communication operations API and library that is flexible, complete, and feature-rich for current and emerging programming models and runtimes.

Versions:

Module	Default
module load ucc/1.0.0-gcccore-11.3.0	✅

ucx-cuda

Unified Communication X An open-source production grade communication framework for data centric and high-performance applications This module adds the UCX CUDA support.

Versions:

Module	Default
module load ucx-cuda/1.12.1-gcccore-11.3.0-cuda-11.7.0	✅
module load ucx-cuda/1.12.1-gcccore-11.2.0-cuda-11.6.0	❎
module load ucx-cuda/1.12.1-gcccore-11.2.0-cuda-11.4.1	❎
module load ucx-cuda/1.11.2-gcccore-11.2.0-cuda-11.4.1	❎
module load ucx-cuda/1.10.0-gcccore-10.3.0-cuda-11.3.1	❎

ucx

Unified Communication X An open-source production grade communication framework for data centric and high-performance applications

Versions:

Module	Default
module load ucx/1.9.0-gcccore-10.2.0-cuda-11.1.1	❎
module load ucx/1.9.0-gcccore-10.2.0	❎
module load ucx/1.9.0--cuda-11.1.1-gcccore-10.2.0	❎
module load ucx/1.8.0-gcccore-9.3.0	❎
module load ucx/1.13.1-gcccore-12.2.0	✅
module load ucx/1.12.1-gcccore-11.3.0	❎
module load ucx/1.12.1-gcccore-11.2.0	❎
module load ucx/1.11.2-gcccore-11.2.0	❎
module load ucx/1.11.2	❎
module load ucx/1.11.0-gcccore-11.2.0	❎
module load ucx/1.10.0-gcccore-10.3.0	❎
module load ucx/1.10.0-gcccore-10.2.0	❎

udunits

UDUNITS supports conversion of unit specifications between formatted and binary forms, arithmetic manipulation of units, and conversion of values between compatible scales of measurement.

Versions:

Module	Default
module load udunits/2.2.28-gcccore-11.3.0	✅
module load udunits/2.2.28-gcccore-11.2.0	❎
module load udunits/2.2.28-gcccore-10.3.0	❎
module load udunits/2.2.26-gcccore-10.2.0	❎

umi-tools

Tools for handling Unique Molecular Identifiers in NGS data sets

Versions:

Module	Default
module load umi-tools/1.1.2-foss-2021b-python-3.9.6	✅

unzip

UnZip is an extraction utility for archives compressed in .zip format (also called "zipfiles

Versions:

Module	Default
module load unzip/6.0-gcccore-9.3.0	❎
module load unzip/6.0-gcccore-12.2.0	❎
module load unzip/6.0-gcccore-11.3.0	❎
module load unzip/6.0-gcccore-11.2.0	❎
module load unzip/6.0-gcccore-10.3.0	❎
module load unzip/6.0-gcccore-10.2.0	❎
module load unzip/6.0	✅

utf8proc

utf8proc is a small, clean C library that provides Unicode normalization, case-folding, and other operations for data in the UTF-8 encoding.

Versions:

Module	Default
module load utf8proc/2.6.1-gcccore-10.3.0	✅

util-linux

Set of Linux utilities

Versions:

Module	Default
module load util-linux/2.38-gcccore-11.3.0	✅
module load util-linux/2.37-gcccore-11.2.0	❎
module load util-linux/2.37	❎
module load util-linux/2.36-gcccore-10.3.0	❎
module load util-linux/2.36-gcccore-10.2.0	❎
module load util-linux/2.35-gcccore-9.3.0	❎
module load util-linux/2.34-gcccore-8.3.0	❎

valgrind

Valgrind: Debugging and profiling tools

Versions:

Module	Default
module load valgrind/3.18.1-iimpi-2021b	✅
module load valgrind/3.18.1-gompi-2021b	❎

vampire

The Vampire Theorem Prover.

Versions:

Module	Default
module load vampire/6.0-foss-2021b	✅

vasp

The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles.

Versions:

Module	Default
module load vasp/6.3.2-intel-2021b	✅
module load vasp/6.3.0-nvhpc-22.3	❎
module load vasp/6.3.0-intel-2021a	❎
module load vasp/6.1.1-intel-2021a	❎
module load vasp/5.4.4-intel-2021b-vtst	❎
module load vasp/5.4.4-intel-2021b-vaspsol	❎

viennarna

The Vienna RNA Package consists of a C code library and several stand-alone programs for the prediction and comparison of RNA secondary structures.

Versions:

Module	Default
module load viennarna/2.5.0-foss-2021b-python-3.9.6	✅

virtualgl

VirtualGL is an open source toolkit that gives any Linux or Unix remote display software the ability to run OpenGL applications with full hardware acceleration.

Versions:

Module	Default
module load virtualgl/3.0-gcccore-10.3.0	✅
module load virtualgl/3.0-gcc-11.2.0	❎
module load virtualgl/2.6.5-gcccore-10.3.0	❎

visit

VisIt is an Open Source, interactive, scalable, visualization, animation and analysis tool.

Versions:

Module	Default
module load visit/3.2.2-foss-2019b	✅

vmd

VMD is a molecular visualization program for displaying, animating, and analyzing large biomolecular systems using 3-D graphics and built-in scripting.

Versions:

Module	Default
module load vmd/1.9.4a57-foss-2022a	✅
module load vmd/1.9.4a57-binary	❎
module load vmd/1.9.3-intel-2020b-python-2.7.18	❎

vtk

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.

Versions:

Module	Default
module load vtk/9.1.0-foss-2021b	✅
module load vtk/9.0.1-foss-2021a	❎

vtune

Intel VTune Amplifier XE is the premier performance profiler for C, C++, C#, Fortran, Assembly and Java.

Versions:

Module	Default
module load vtune/2022.0.0	✅

wannier90

A tool for obtaining maximally-localised Wannier functions

Versions:

Module	Default
module load wannier90/3.1.0-intel-2021b	✅
module load wannier90/3.1.0-intel-2021a	❎
module load wannier90/3.1.0-intel-2020b	❎
module load wannier90/2.1.0-iomkl-2020b	❎
module load wannier90/2.1.0-intel-2021b	❎
module load wannier90/2.1.0-intel-2021a	❎
module load wannier90/2.1.0-intel-2020b	❎

wayland

Wayland is a project to define a protocol for a compositor to talk to its clients as well as a library implementation of the protocol. The compositor can be a standalone display server running on Linux kernel modesetting and evdev input devices, an X application, or a wayland client itself. The clients can be traditional applications, X servers (rootless or fullscreen) or other display servers.

Versions:

Module	Default
module load wayland/1.21.0-gcccore-11.2.0	✅

waylandpp

Wayland is an object oriented display protocol, which features request and events. Requests can be seen as method calls on certain objects, whereas events can be seen as signals of an object. This makes the Wayland protocol a perfect candidate for a C++ binding. The goal of this library is to create such a C++ binding for Wayland using the most modern C++ technology currently available, providing an easy to use C++ API to Wayland.

Versions:

Module	Default
module load waylandpp/1.0.0-gcccore-11.2.0	✅

webkitgtk+

WebKitGTK+ is a full-featured port of the WebKit rendering engine, suitable for projects requiring any kind of web integration, from hybrid HTML/CSS applications to full-fledged web browsers. It offers WebKit's full functionality and is useful in a wide range of systems from desktop computers to embedded systems like phones, tablets, and televisions.

Versions:

Module	Default
module load webkitgtk+/2.37.1-gcc-11.2.0	✅

wget

GNU Wget is a free software package for retrieving files using HTTP, HTTPS and FTP, the most widely-used Internet protocols. It is a non-interactive commandline tool, so it may easily be called from scripts, cron jobs, terminals without X-Windows support, etc.

Versions:

Module	Default
module load wget/1.21.2-gcccore-11.2.0	✅

wise2

Wise2

Versions:

Module	Default
module load wise2/2.4.1-gcccore-11.2.0	✅

wpebackend-fdo

WPE WebKit allows embedders to create simple and performant systems based on Web platform technologies. It is a WebKit port designed with flexibility and hardware acceleration in mind, leveraging common 3D graphics APIs for best performance.

Versions:

Module	Default
module load wpebackend-fdo/1.13.1-gcccore-11.2.0	✅

wrf

The Weather Research and Forecasting (WRF) Model is a next-generation mesoscale numerical weather prediction system designed to serve both operational forecasting and atmospheric research needs.

Versions:

Module	Default
module load wrf/4.3-foss-2021a-dmpar	✅
module load wrf/4.1.3-foss-2019b-dmpar	❎

wxpython

Wraps the wxWidgets C++ toolkit and provides access to the user interface portions of the wxWidgets API, enabling Python applications to have a native GUI on Windows, Macs or Unix systems, with a native look and feel and requiring very little (if any) platform specific code.

Versions:

Module	Default
module load wxpython/4.2.0-foss-2021b	✅

wxwidgets

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.

Versions:

Module	Default
module load wxwidgets/3.2.0-gcc-11.2.0	✅
module load wxwidgets/3.1.5-gcc-11.2.0	❎

x11

The X Window System (X11) is a windowing system for bitmap displays

Versions:

Module	Default
module load x11/20220504-gcccore-11.3.0	✅
module load x11/20210802-gcccore-11.2.0	❎
module load x11/20210802	❎
module load x11/20210518-gcccore-10.3.0	❎
module load x11/20201008-gcccore-10.2.0	❎
module load x11/20200222-gcccore-9.3.0	❎
module load x11/20190717-gcccore-8.3.0	❎

x264

x264 is a free software library and application for encoding video streams into the H.264/MPEG-4 AVC compression format, and is released under the terms of the GNU GPL.

Versions:

Module	Default
module load x264/20220620-gcccore-11.3.0	✅
module load x264/20210613-gcccore-11.2.0	❎
module load x264/20210414-gcccore-10.3.0	❎
module load x264/20201026-gcccore-10.2.0	❎

x265

x265 is a free software library and application for encoding video streams into the H.265 AVC compression format, and is released under the terms of the GNU GPL.

Versions:

Module	Default
module load x265/3.5-gcccore-11.3.0	✅
module load x265/3.5-gcccore-11.2.0	❎
module load x265/3.5-gcccore-10.3.0	❎
module load x265/3.3-gcccore-10.2.0	❎

xharpy

XHARPy (X-ray diffraction data Hirshfeld Atom Refinement in Python) is a pure Python library that enables refinement with custom atomic form factors from various sources.

Versions:

Module	Default
module load xharpy/7a37147-intel-2021b	❎
module load xharpy/7a37147-foss-2021a	❎
module load xharpy/336fa9c-intel-2021b	✅
module load xharpy/336fa9c-foss-2021a	❎

xml-libxml

Perl binding for libxml2

Versions:

Module	Default
module load xml-libxml/2.0207-gcccore-10.3.0	✅
module load xml-libxml/2.0206-gcccore-10.2.0	❎

xorg-macros

X.org macros utilities.

Versions:

Module	Default
module load xorg-macros/1.19.3-gcccore-11.3.0	❎
module load xorg-macros/1.19.3-gcccore-11.2.0	❎
module load xorg-macros/1.19.3-gcccore-10.3.0	❎
module load xorg-macros/1.19.3	✅
module load xorg-macros/1.19.2-gcccore-9.3.0	❎
module load xorg-macros/1.19.2-gcccore-8.3.0	❎
module load xorg-macros/1.19.2-gcccore-7.3.0	❎
module load xorg-macros/1.19.2-gcccore-10.2.0	❎

xpdf

GNU nano text editor.

Versions:

Module	Default
module load xpdf/4.04-gcccore-11.2.0	✅

xprop

The xprop utility is for displaying window and font properties in an X server. One window or font is selected using the command line arguments or possibly in the case of a window, by clicking on the desired window. A list of properties is then given, possibly with formatting information.

Versions:

Module	Default
module load xprop/1.2.5-gcccore-11.3.0	✅
module load xprop/1.2.5-gcccore-11.2.0	❎
module load xprop/1.2.5-gcccore-10.2.0	❎
module load xprop/1.2.4-gcccore-9.3.0	❎
module load xprop/1.2.4-gcccore-8.3.0	❎

xproto

X protocol and ancillary headers

Versions:

Module	Default
module load xproto/7.0.31-gcccore-11.2.0	✅

xtb

Semiempirical Extended Tight-Binding Program Package.

Versions:

Module	Default
module load xtb/6.5.0-intel-2021b	✅
module load xtb/6.4.1-intel-2021a	❎

xvfb

Xvfb is an X server that can run on machines with no display hardware and no physical input devices. It emulates a dumb framebuffer using virtual memory.

Versions:

Module	Default
module load xvfb/21.1.3-gcccore-11.3.0	✅
module load xvfb/1.20.9-gcccore-10.2.0	❎
module load xvfb/1.20.13-gcccore-11.2.0	❎
module load xvfb/1.20.11-gcccore-10.3.0	❎

xxd

xxd is part of the VIM package and this will only install xxd, not vim! xxd converts to/from hexdumps of binary files.

Versions:

Module	Default
module load xxd/8.2.4220-gcccore-11.2.0	✅

xz

xz: XZ utilities

Versions:

Module	Default
module load xz/5.2.7-gcccore-12.2.0	✅
module load xz/5.2.5-gcccore-9.3.0	❎
module load xz/5.2.5-gcccore-11.3.0	❎
module load xz/5.2.5-gcccore-11.2.0	❎
module load xz/5.2.5-gcccore-10.3.0	❎
module load xz/5.2.5-gcccore-10.2.0	❎
module load xz/5.2.4-gcccore-8.3.0	❎
module load xz/5.2.4-gcccore-7.3.0	❎

yambo

Yambo is a FORTRAN/C code for Many-Body calculations in solid state and molecular physics. Yambo relies on the Kohn-Sham wavefunctions generated by two DFT public codes: abinit, and PWscf.

Versions:

Module	Default
module load yambo/5.1.2-intel-2021b	✅
module load yambo/5.1.1-intel-2021b	❎
module load yambo/4.5.3-intel-2021b	❎

yaml-cpp

yaml-cpp is a YAML parser and emitter in C++ matching the YAML 1.2 spec.

Versions:

Module	Default
module load yaml-cpp/0.6.3-foss-2021b	✅
module load yaml-cpp/0.6.3-foss-2019b	❎

yasm

Yasm: Complete rewrite of the NASM assembler with BSD license

Versions:

Module	Default
module load yasm/1.3.0-gcccore-11.3.0	✅
module load yasm/1.3.0-gcccore-11.2.0	❎
module load yasm/1.3.0-gcccore-10.3.0	❎
module load yasm/1.3.0-gcccore-10.2.0	❎

z3

Z3 is a theorem prover from Microsoft Research.

Versions:

Module	Default
module load z3/4.8.12-gcccore-11.2.0	✅
module load z3/4.8.10-gcccore-10.2.0	❎

zeromq

ZeroMQ looks like an embeddable networking library but acts like a concurrency framework. It gives you sockets that carry atomic messages across various transports like in-process, inter-process, TCP, and multicast. You can connect sockets N-to-N with patterns like fanout, pub-sub, task distribution, and request-reply. It's fast enough to be the fabric for clustered products. Its asynchronous I/O model gives you scalable multicore applications, built as asynchronous message-processing tasks. It has a score of language APIs and runs on most operating systems.

Versions:

Module	Default
module load zeromq/4.3.4-gcccore-11.3.0	✅
module load zeromq/4.3.4-gcccore-11.2.0	❎
module load zeromq/4.3.4-gcccore-10.3.0	❎
module load zeromq/4.3.3-gcccore-10.2.0	❎

zip

Zip is a compression and file packaging/archive utility. Although highly compatible both with PKWARE's PKZIP and PKUNZIP utilities for MS-DOS and with Info-ZIP's own UnZip, our primary objectives have been portability and other-than-MSDOS functionality

Versions:

Module	Default
module load zip/3.0-gcccore-11.3.0	✅
module load zip/3.0-gcccore-11.2.0	❎
module load zip/3.0-gcccore-10.3.0	❎
module load zip/3.0-gcccore-10.2.0	❎

zlib

zlib is designed to be a free, general-purpose, legally unencumbered -- that is, not covered by any patents -- lossless data-compression library for use on virtually any computer hardware and operating system.

Versions:

Module	Default
module load zlib/1.2.8	❎
module load zlib/1.2.12-gcccore-12.2.0	❎
module load zlib/1.2.12-gcccore-11.3.0	❎
module load zlib/1.2.12	✅
module load zlib/1.2.11-gcccore-9.3.0	❎
module load zlib/1.2.11-gcccore-8.3.0	❎
module load zlib/1.2.11-gcccore-7.3.0	❎
module load zlib/1.2.11-gcccore-11.2.0	❎
module load zlib/1.2.11-gcccore-10.3.0	❎
module load zlib/1.2.11-gcccore-10.2.0	❎
module load zlib/1.2.11	❎

zstd

Zstandard is a real-time compression algorithm, providing high compression ratios. It offers a very wide range of compression/speed trade-off, while being backed by a very fast decoder. It also offers a special mode for small data, called dictionary compression, and can create dictionaries from any sample set.

Versions:

Module	Default
module load zstd/1.5.2-gcccore-11.3.0	✅
module load zstd/1.5.0-gcccore-11.2.0	❎
module load zstd/1.5.0	❎
module load zstd/1.4.9-gcccore-10.3.0	❎
module load zstd/1.4.5-gcccore-10.2.0	❎
module load zstd/1.4.4-gcccore-9.3.0	❎

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Ostatnia aktualizacja: 14 lutego 2024